Warning: Permanently added '2620:52:3:1:dead:beef:cafe:c1d2' (ED25519) to the list of known hosts.

You can reproduce this build on your computer by running:

  sudo dnf install copr-rpmbuild
  /usr/bin/copr-rpmbuild --verbose --drop-resultdir --task-url https://copr.fedorainfracloud.org/backend/get-build-task/8829858-fedora-41-x86_64 --chroot fedora-41-x86_64


Version: 1.3
PID: 8540
Logging PID: 8541
Task:
{'allow_user_ssh': False,
 'appstream': False,
 'background': True,
 'build_id': 8829858,
 'buildroot_pkgs': [],
 'chroot': 'fedora-41-x86_64',
 'enable_net': False,
 'fedora_review': False,
 'git_hash': 'fc1819b05ff8dafae7a5661923cea38b4c4ac91b',
 'git_repo': 'https://copr-dist-git.fedorainfracloud.org/git/psimovec/openblas-0.3.23/openbabel',
 'isolation': 'default',
 'memory_reqs': 2048,
 'package_name': 'openbabel',
 'package_version': '3.1.1-33',
 'project_dirname': 'openblas-0.3.23',
 'project_name': 'openblas-0.3.23',
 'project_owner': 'psimovec',
 'repo_priority': None,
 'repos': [{'baseurl': 'https://download.copr.fedorainfracloud.org/results/psimovec/openblas-0.3.23/fedora-41-x86_64/',
            'id': 'copr_base',
            'name': 'Copr repository',
            'priority': None},
           {'baseurl': 'http://kojipkgs.fedoraproject.org/repos/rawhide/latest/$basearch/',
            'id': 'http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch',
            'name': 'Additional repo http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch'}],
 'sandbox': 'psimovec/openblas-0.3.23--https://src.fedoraproject.org/user/sagitter',
 'source_json': {},
 'source_type': None,
 'ssh_public_keys': None,
 'storage': None,
 'submitter': 'https://src.fedoraproject.org/user/sagitter',
 'tags': [],
 'task_id': '8829858-fedora-41-x86_64',
 'timeout': 18000,
 'uses_devel_repo': False,
 'with_opts': [],
 'without_opts': []}

Running: git clone https://copr-dist-git.fedorainfracloud.org/git/psimovec/openblas-0.3.23/openbabel /var/lib/copr-rpmbuild/workspace/workdir-1axpl_e8/openbabel --depth 500 --no-single-branch --recursive

cmd: ['git', 'clone', 'https://copr-dist-git.fedorainfracloud.org/git/psimovec/openblas-0.3.23/openbabel', '/var/lib/copr-rpmbuild/workspace/workdir-1axpl_e8/openbabel', '--depth', '500', '--no-single-branch', '--recursive']
cwd: .
rc: 0
stdout: 
stderr: Cloning into '/var/lib/copr-rpmbuild/workspace/workdir-1axpl_e8/openbabel'...

Running: git checkout fc1819b05ff8dafae7a5661923cea38b4c4ac91b --

cmd: ['git', 'checkout', 'fc1819b05ff8dafae7a5661923cea38b4c4ac91b', '--']
cwd: /var/lib/copr-rpmbuild/workspace/workdir-1axpl_e8/openbabel
rc: 0
stdout: 
stderr: Note: switching to 'fc1819b05ff8dafae7a5661923cea38b4c4ac91b'.

You are in 'detached HEAD' state. You can look around, make experimental
changes and commit them, and you can discard any commits you make in this
state without impacting any branches by switching back to a branch.

If you want to create a new branch to retain commits you create, you may
do so (now or later) by using -c with the switch command. Example:

  git switch -c <new-branch-name>

Or undo this operation with:

  git switch -

Turn off this advice by setting config variable advice.detachedHead to false

HEAD is now at fc1819b automatic import of openbabel

Running: dist-git-client sources
/usr/bin/tail: /var/lib/copr-rpmbuild/main.log: file truncated

cmd: ['dist-git-client', 'sources']
cwd: /var/lib/copr-rpmbuild/workspace/workdir-1axpl_e8/openbabel
rc: 0
stdout: 
stderr: INFO: Reading stdout from command: git rev-parse --abbrev-ref HEAD
INFO: Reading stdout from command: git rev-parse HEAD
INFO: Reading sources specification file: sources
INFO: Downloading openbabel-openbabel-3-1-1.tar.gz
INFO: Reading stdout from command: curl --help all
INFO: Calling: curl -H Pragma: -o openbabel-openbabel-3-1-1.tar.gz --location --connect-timeout 60 --retry 3 --retry-delay 10 --remote-time --show-error --fail --retry-all-errors https://copr-dist-git.fedorainfracloud.org/repo/pkgs/psimovec/openblas-0.3.23/openbabel/openbabel-openbabel-3-1-1.tar.gz/md5/7efb864d2ba5593b286ddc49d70aa851/openbabel-openbabel-3-1-1.tar.gz
  % Total    % Received % Xferd  Average Speed   Time    Time     Time  Current
                                 Dload  Upload   Total   Spent    Left  Speed
100 34.9M  100 34.9M    0     0  10.2M      0  0:00:03  0:00:03 --:--:-- 10.2M
INFO: Reading stdout from command: md5sum openbabel-openbabel-3-1-1.tar.gz

Running (timeout=18000): unbuffer mock --spec /var/lib/copr-rpmbuild/workspace/workdir-1axpl_e8/openbabel/openbabel.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-1axpl_e8/openbabel --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1743157259.647785 -r /var/lib/copr-rpmbuild/results/configs/child.cfg
INFO: mock.py version 6.1 starting (python version = 3.13.0, NVR = mock-6.1-1.fc41), args: /usr/libexec/mock/mock --spec /var/lib/copr-rpmbuild/workspace/workdir-1axpl_e8/openbabel/openbabel.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-1axpl_e8/openbabel --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1743157259.647785 -r /var/lib/copr-rpmbuild/results/configs/child.cfg
Start(bootstrap): init plugins
INFO: tmpfs initialized
INFO: selinux enabled
INFO: chroot_scan: initialized
INFO: compress_logs: initialized
Finish(bootstrap): init plugins
Start: init plugins
INFO: tmpfs initialized
INFO: selinux enabled
INFO: chroot_scan: initialized
INFO: compress_logs: initialized
Finish: init plugins
INFO: Signal handler active
Start: run
INFO: Start(/var/lib/copr-rpmbuild/workspace/workdir-1axpl_e8/openbabel/openbabel.spec)  Config(fedora-41-x86_64)
Start: clean chroot
Finish: clean chroot
Mock Version: 6.1
INFO: Mock Version: 6.1
Start(bootstrap): chroot init
INFO: mounting tmpfs at /var/lib/mock/fedora-41-x86_64-bootstrap-1743157259.647785/root.
INFO: calling preinit hooks
INFO: enabled root cache
INFO: enabled package manager cache
Start(bootstrap): cleaning package manager metadata
Finish(bootstrap): cleaning package manager metadata
INFO: Guessed host environment type: unknown
INFO: Using container image: registry.fedoraproject.org/fedora:41
INFO: Pulling image: registry.fedoraproject.org/fedora:41
INFO: Tagging container image as mock-bootstrap-b010c109-03f7-4a32-851d-e86b4af8cbeb
INFO: Checking that 5703ce2256edda03521a052ea9f93b35b396775e87778fa35b0d2381688ad0c2 image matches host's architecture
INFO: Copy content of container 5703ce2256edda03521a052ea9f93b35b396775e87778fa35b0d2381688ad0c2 to /var/lib/mock/fedora-41-x86_64-bootstrap-1743157259.647785/root
INFO: mounting 5703ce2256edda03521a052ea9f93b35b396775e87778fa35b0d2381688ad0c2 with podman image mount
INFO: image 5703ce2256edda03521a052ea9f93b35b396775e87778fa35b0d2381688ad0c2 as /var/lib/containers/storage/overlay/50a69e79072c56d510d76d51fc26a5bc194210959fc0efa097d3955a4efd6326/merged
INFO: umounting image 5703ce2256edda03521a052ea9f93b35b396775e87778fa35b0d2381688ad0c2 (/var/lib/containers/storage/overlay/50a69e79072c56d510d76d51fc26a5bc194210959fc0efa097d3955a4efd6326/merged) with podman image umount
INFO: Removing image mock-bootstrap-b010c109-03f7-4a32-851d-e86b4af8cbeb
INFO: Package manager dnf5 detected and used (fallback)
INFO: Not updating bootstrap chroot, bootstrap_image_ready=True
Start(bootstrap): creating root cache
Finish(bootstrap): creating root cache
Finish(bootstrap): chroot init
Start: chroot init
INFO: mounting tmpfs at /var/lib/mock/fedora-41-x86_64-1743157259.647785/root.
INFO: calling preinit hooks
INFO: enabled root cache
INFO: enabled package manager cache
Start: cleaning package manager metadata
Finish: cleaning package manager metadata
INFO: enabled HW Info plugin
INFO: Package manager dnf5 detected and used (direct choice)
INFO: Buildroot is handled by package management downloaded with a bootstrap image:
  rpm-4.20.1-1.fc41.x86_64
  rpm-sequoia-1.7.0-5.fc41.x86_64
  dnf5-5.2.12.0-1.fc41.x86_64
  dnf5-plugins-5.2.12.0-1.fc41.x86_64
Start: installing minimal buildroot with dnf5
Updating and loading repositories:
 updates                                100% |   7.2 MiB/s |  11.8 MiB |  00m02s
 fedora                                 100% |  26.2 MiB/s |  36.4 MiB |  00m01s
 Copr repository                        100% |  16.3 MiB/s |   3.3 MiB |  00m00s
 Additional repo http_kojipkgs_fedorapr 100% |  45.0 MiB/s |  14.4 MiB |  00m00s
Repositories loaded.
Package                            Arch   Version                    Repository                                                         Size
Installing group/module packages:
 bash                              x86_64 5.2.37-3.fc43              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   8.2 MiB
 bzip2                             x86_64 1.0.8-20.fc42              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  99.3 KiB
 coreutils                         x86_64 9.6-2.fc43                 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   5.4 MiB
 cpio                              x86_64 2.15-2.fc41                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.1 MiB
 diffutils                         x86_64 3.11-3.fc43                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.5 MiB
 fedora-release-common             noarch 43-0.8                     http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  20.3 KiB
 findutils                         x86_64 1:4.10.0-5.fc42            http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.9 MiB
 gawk                              x86_64 5.3.1-1.fc42               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.7 MiB
 glibc-minimal-langpack            x86_64 2.41.9000-6.fc43           http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   0.0   B
 grep                              x86_64 3.11-10.fc42               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.0 MiB
 gzip                              x86_64 1.13-3.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 392.9 KiB
 info                              x86_64 7.2-3.fc42                 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 357.9 KiB
 patch                             x86_64 2.7.6-26.fc42              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 258.7 KiB
 redhat-rpm-config                 noarch 342-2.fc42                 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 186.8 KiB
 rpm-build                         x86_64 4.20.1-1.fc43              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 168.7 KiB
 sed                               x86_64 4.9-4.fc42                 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 857.3 KiB
 shadow-utils                      x86_64 2:4.17.4-1.fc43            http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   4.0 MiB
 tar                               x86_64 2:1.35-5.fc42              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   3.0 MiB
 unzip                             x86_64 6.0-66.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 390.3 KiB
 util-linux                        x86_64 2.40.4-7.fc43              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   3.4 MiB
 which                             x86_64 2.23-1.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  83.4 KiB
 xz                                x86_64 1:5.8.0-1.fc43             http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.3 MiB
Installing dependencies:
 add-determinism                   x86_64 0.6.0-1.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   2.5 MiB
 alternatives                      x86_64 1.32-1.fc43                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  62.2 KiB
 ansible-srpm-macros               noarch 1-17.1.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  35.7 KiB
 audit-libs                        x86_64 4.0.3-2.fc42               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 351.3 KiB
 binutils                          x86_64 2.44-3.fc43                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  25.9 MiB
 build-reproducibility-srpm-macros noarch 0.6.0-1.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 735.0   B
 bzip2-libs                        x86_64 1.0.8-20.fc42              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  84.6 KiB
 ca-certificates                   noarch 2024.2.69_v8.0.401-5.fc42  http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   2.6 MiB
 coreutils-common                  x86_64 9.6-2.fc43                 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  11.1 MiB
 crypto-policies                   noarch 20250324-1.git3714354.fc43 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 139.5 KiB
 curl                              x86_64 8.13.0~rc3-1.fc43          http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 457.0 KiB
 cyrus-sasl-lib                    x86_64 2.1.28-30.fc42             http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   2.3 MiB
 debugedit                         x86_64 5.1-5.fc43                 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 192.7 KiB
 dwz                               x86_64 0.15-9.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 291.0 KiB
 ed                                x86_64 1.21-2.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 146.5 KiB
 efi-srpm-macros                   noarch 6-3.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  40.1 KiB
 elfutils                          x86_64 0.192-9.fc41               updates                                                         2.7 MiB
 elfutils-debuginfod-client        x86_64 0.192-9.fc41               updates                                                        84.2 KiB
 elfutils-default-yama-scope       noarch 0.192-9.fc41               updates                                                         1.8 KiB
 elfutils-libelf                   x86_64 0.192-9.fc41               updates                                                         1.2 MiB
 elfutils-libs                     x86_64 0.192-9.fc41               updates                                                       670.2 KiB
 fedora-gpg-keys                   noarch 43-0.1                     http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 128.2 KiB
 fedora-release                    noarch 43-0.8                     http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   0.0   B
 fedora-release-identity-basic     noarch 43-0.8                     http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 719.0   B
 fedora-repos                      noarch 43-0.1                     http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   4.9 KiB
 fedora-repos-rawhide              noarch 43-0.1                     http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   2.2 KiB
 file                              x86_64 5.46-1.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 100.2 KiB
 file-libs                         x86_64 5.46-1.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  11.9 MiB
 filesystem                        x86_64 3.18-38.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 112.0   B
 filesystem-srpm-macros            noarch 3.18-38.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  38.2 KiB
 fonts-srpm-macros                 noarch 1:2.0.5-21.fc42            http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  55.8 KiB
 forge-srpm-macros                 noarch 0.4.0-2.fc42               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  38.9 KiB
 fpc-srpm-macros                   noarch 1.3-14.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 144.0   B
 gdb-minimal                       x86_64 16.2-2.fc43                copr_base                                                      13.3 MiB
 gdbm-libs                         x86_64 1:1.23-9.fc42              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 129.9 KiB
 ghc-srpm-macros                   noarch 1.9.2-2.fc42               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 779.0   B
 glibc                             x86_64 2.41.9000-6.fc43           http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   6.7 MiB
 glibc-common                      x86_64 2.41.9000-6.fc43           http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.0 MiB
 glibc-gconv-extra                 x86_64 2.41.9000-6.fc43           http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   7.2 MiB
 gmp                               x86_64 1:6.3.0-3.fc43             http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 819.2 KiB
 gnat-srpm-macros                  noarch 6-7.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.0 KiB
 go-srpm-macros                    noarch 3.6.0-7.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  60.8 KiB
 jansson                           x86_64 2.14-2.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  93.1 KiB
 json-c                            x86_64 0.18-2.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  86.7 KiB
 kernel-srpm-macros                noarch 1.0-25.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.9 KiB
 keyutils-libs                     x86_64 1.6.3-5.fc42               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  58.3 KiB
 krb5-libs                         x86_64 1.21.3-5.fc42              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   2.3 MiB
 libacl                            x86_64 2.3.2-3.fc42               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  38.3 KiB
 libarchive                        x86_64 3.7.7-4.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 930.6 KiB
 libattr                           x86_64 2.5.2-5.fc42               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  27.1 KiB
 libblkid                          x86_64 2.40.4-7.fc43              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 262.4 KiB
 libbrotli                         x86_64 1.1.0-6.fc42               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 841.3 KiB
 libcap                            x86_64 2.73-2.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 207.1 KiB
 libcap-ng                         x86_64 0.8.5-4.fc42               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  72.9 KiB
 libcom_err                        x86_64 1.47.2-3.fc42              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  67.1 KiB
 libcurl                           x86_64 8.13.0~rc3-1.fc43          http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 870.5 KiB
 libeconf                          x86_64 0.7.6-1.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  64.6 KiB
 libevent                          x86_64 2.1.12-15.fc42             http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 903.1 KiB
 libfdisk                          x86_64 2.40.4-7.fc43              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 372.3 KiB
 libffi                            x86_64 3.4.7-2.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  82.6 KiB
 libgcc                            x86_64 15.0.1-0.10.fc43           http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 266.6 KiB
 libgomp                           x86_64 15.0.1-0.10.fc43           http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 535.9 KiB
 libidn2                           x86_64 2.3.8-1.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 552.5 KiB
 libmount                          x86_64 2.40.4-7.fc43              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 356.2 KiB
 libnghttp2                        x86_64 1.65.0-1.fc43              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 162.2 KiB
 libpkgconf                        x86_64 2.3.0-2.fc42               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  78.1 KiB
 libpsl                            x86_64 0.21.5-5.fc42              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  76.4 KiB
 libselinux                        x86_64 3.8-1.fc42                 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 193.1 KiB
 libsemanage                       x86_64 3.8-1.fc42                 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 308.4 KiB
 libsepol                          x86_64 3.8-1.fc42                 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 826.0 KiB
 libsmartcols                      x86_64 2.40.4-7.fc43              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 180.4 KiB
 libssh                            x86_64 0.11.1-4.fc42              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 565.5 KiB
 libssh-config                     noarch 0.11.1-4.fc42              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 277.0   B
 libstdc++                         x86_64 15.0.1-0.10.fc43           http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   2.8 MiB
 libtasn1                          x86_64 4.20.0-1.fc43              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 176.3 KiB
 libtool-ltdl                      x86_64 2.5.4-4.fc42               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  70.1 KiB
 libunistring                      x86_64 1.1-9.fc42                 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.7 MiB
 libuuid                           x86_64 2.40.4-7.fc43              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  37.3 KiB
 libverto                          x86_64 0.3.2-10.fc42              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  25.4 KiB
 libxcrypt                         x86_64 4.4.38-6.fc43              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 284.5 KiB
 libxml2                           x86_64 2.12.10-1.fc43             http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.7 MiB
 libzstd                           x86_64 1.5.7-1.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 807.8 KiB
 lua-libs                          x86_64 5.4.7-3.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 276.9 KiB
 lua-srpm-macros                   noarch 1-15.fc42                  http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.3 KiB
 lz4-libs                          x86_64 1.10.0-2.fc42              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 157.4 KiB
 mpfr                              x86_64 4.2.2-1.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 828.8 KiB
 ncurses-base                      noarch 6.5-5.20250125.fc42        http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 326.8 KiB
 ncurses-libs                      x86_64 6.5-5.20250125.fc42        http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 946.3 KiB
 ocaml-srpm-macros                 noarch 10-4.fc42                  http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.9 KiB
 openblas-srpm-macros              noarch 2-19.fc42                  http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 112.0   B
 openldap                          x86_64 2.6.9-5.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 655.1 KiB
 openssl-libs                      x86_64 1:3.5.0-2.fc43             http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   8.9 MiB
 p11-kit                           x86_64 0.25.5-5.fc42              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   2.2 MiB
 p11-kit-trust                     x86_64 0.25.5-5.fc42              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 395.5 KiB
 package-notes-srpm-macros         noarch 0.5-13.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.6 KiB
 pam-libs                          x86_64 1.7.0-4.fc42               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 126.7 KiB
 pcre2                             x86_64 10.45-1.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 697.7 KiB
 pcre2-syntax                      noarch 10.45-1.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 273.9 KiB
 perl-srpm-macros                  noarch 1-57.fc42                  http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 861.0   B
 pkgconf                           x86_64 2.3.0-2.fc42               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  88.5 KiB
 pkgconf-m4                        noarch 2.3.0-2.fc42               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  14.4 KiB
 pkgconf-pkg-config                x86_64 2.3.0-2.fc42               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 989.0   B
 popt                              x86_64 1.19-8.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 132.8 KiB
 publicsuffix-list-dafsa           noarch 20250116-1.fc42            http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  68.5 KiB
 pyproject-srpm-macros             noarch 1.18.1-1.fc43              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.9 KiB
 python-srpm-macros                noarch 3.13-5.fc43                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  51.7 KiB
 qt5-srpm-macros                   noarch 5.15.16-1.fc43             http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 500.0   B
 qt6-srpm-macros                   noarch 6.8.2-2.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 464.0   B
 readline                          x86_64 8.2-13.fc43                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 485.0 KiB
 rpm                               x86_64 4.20.1-1.fc43              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   3.1 MiB
 rpm-build-libs                    x86_64 4.20.1-1.fc43              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 206.6 KiB
 rpm-libs                          x86_64 4.20.1-1.fc43              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 721.8 KiB
 rpm-sequoia                       x86_64 1.7.0-5.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   2.4 MiB
 rust-srpm-macros                  noarch 26.3-4.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   4.8 KiB
 setup                             noarch 2.15.0-23.fc43             http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 724.7 KiB
 sqlite-libs                       x86_64 3.49.0-1.fc43              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.5 MiB
 systemd-libs                      x86_64 257.4-3.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   2.2 MiB
 systemd-standalone-sysusers       x86_64 257.4-3.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 273.3 KiB
 tree-sitter-srpm-macros           noarch 0.2.0-1.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   6.9 KiB
 util-linux-core                   x86_64 2.40.4-7.fc43              http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.4 MiB
 xxhash-libs                       x86_64 0.8.3-2.fc42               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  90.2 KiB
 xz-libs                           x86_64 1:5.8.0-1.fc43             http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 217.8 KiB
 zig-srpm-macros                   noarch 1-4.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.1 KiB
 zip                               x86_64 3.0-43.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 698.5 KiB
 zlib-ng-compat                    x86_64 2.2.4-2.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 137.6 KiB
 zstd                              x86_64 1.5.7-1.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.7 MiB
Installing groups:
 Buildsystem building group                                                                                                                 

Transaction Summary:
 Installing:       148 packages

Total size of inbound packages is 52 MiB. Need to download 52 MiB.
After this operation, 178 MiB extra will be used (install 178 MiB, remove 0 B).
[  1/148] bzip2-0:1.0.8-20.fc42.x86_64  100% | 542.3 KiB/s |  52.1 KiB |  00m00s
[  2/148] coreutils-0:9.6-2.fc43.x86_64 100% |   8.2 MiB/s |   1.1 MiB |  00m00s
[  3/148] cpio-0:2.15-2.fc41.x86_64     100% |   6.6 MiB/s | 285.2 KiB |  00m00s
[  4/148] bash-0:5.2.37-3.fc43.x86_64   100% |  11.6 MiB/s |   1.8 MiB |  00m00s
[  5/148] diffutils-0:3.11-3.fc43.x86_6 100% |  11.7 MiB/s | 383.2 KiB |  00m00s
[  6/148] fedora-release-common-0:43-0. 100% | 714.1 KiB/s |  25.7 KiB |  00m00s
[  7/148] findutils-1:4.10.0-5.fc42.x86 100% |  13.6 MiB/s | 542.7 KiB |  00m00s
[  8/148] glibc-minimal-langpack-0:2.41 100% | 657.3 KiB/s |  17.7 KiB |  00m00s
[  9/148] gawk-0:5.3.1-1.fc42.x86_64    100% |  25.4 MiB/s |   1.1 MiB |  00m00s
[ 10/148] gzip-0:1.13-3.fc42.x86_64     100% |   7.0 MiB/s | 164.2 KiB |  00m00s
[ 11/148] grep-0:3.11-10.fc42.x86_64    100% |   7.5 MiB/s | 290.1 KiB |  00m00s
[ 12/148] info-0:7.2-3.fc42.x86_64      100% |   6.2 MiB/s | 183.8 KiB |  00m00s
[ 13/148] patch-0:2.7.6-26.fc42.x86_64  100% |   4.8 MiB/s | 128.4 KiB |  00m00s
[ 14/148] redhat-rpm-config-0:342-2.fc4 100% |   2.8 MiB/s |  74.9 KiB |  00m00s
[ 15/148] rpm-build-0:4.20.1-1.fc43.x86 100% |   3.0 MiB/s |  74.3 KiB |  00m00s
[ 16/148] sed-0:4.9-4.fc42.x86_64       100% |   8.9 MiB/s | 308.8 KiB |  00m00s
[ 17/148] shadow-utils-2:4.17.4-1.fc43. 100% |  25.2 MiB/s |   1.3 MiB |  00m00s
[ 18/148] unzip-0:6.0-66.fc42.x86_64    100% |   5.5 MiB/s | 184.6 KiB |  00m00s
[ 19/148] which-0:2.23-1.fc42.x86_64    100% |   1.6 MiB/s |  41.7 KiB |  00m00s
[ 20/148] util-linux-0:2.40.4-7.fc43.x8 100% |  27.7 MiB/s |   1.1 MiB |  00m00s
[ 21/148] tar-2:1.35-5.fc42.x86_64      100% |   8.5 MiB/s | 853.9 KiB |  00m00s
[ 22/148] xz-1:5.8.0-1.fc43.x86_64      100% |  17.5 MiB/s | 556.3 KiB |  00m00s
[ 23/148] fedora-repos-0:43-0.1.noarch  100% | 264.9 KiB/s |   9.3 KiB |  00m00s
[ 24/148] filesystem-0:3.18-38.fc43.x86 100% |  24.8 MiB/s |   1.3 MiB |  00m00s
[ 25/148] coreutils-common-0:9.6-2.fc43 100% |  28.2 MiB/s |   2.1 MiB |  00m00s
[ 26/148] glibc-common-0:2.41.9000-6.fc 100% |   8.9 MiB/s | 299.6 KiB |  00m00s
[ 27/148] filesystem-srpm-macros-0:3.18 100% | 797.7 KiB/s |  25.5 KiB |  00m00s
[ 28/148] glibc-0:2.41.9000-6.fc43.x86_ 100% |  40.1 MiB/s |   2.2 MiB |  00m00s
[ 29/148] rpm-0:4.20.1-1.fc43.x86_64    100% |  17.4 MiB/s | 515.6 KiB |  00m00s
[ 30/148] libblkid-0:2.40.4-7.fc43.x86_ 100% |   3.6 MiB/s | 122.5 KiB |  00m00s
[ 31/148] libfdisk-0:2.40.4-7.fc43.x86_ 100% |   5.9 MiB/s | 158.2 KiB |  00m00s
[ 32/148] libmount-0:2.40.4-7.fc43.x86_ 100% |   6.3 MiB/s | 155.0 KiB |  00m00s
[ 33/148] libsmartcols-0:2.40.4-7.fc43. 100% |   3.6 MiB/s |  81.2 KiB |  00m00s
[ 34/148] libuuid-0:2.40.4-7.fc43.x86_6 100% |   1.0 MiB/s |  25.3 KiB |  00m00s
[ 35/148] util-linux-core-0:2.40.4-7.fc 100% |  19.3 MiB/s | 513.8 KiB |  00m00s
[ 36/148] xz-libs-1:5.8.0-1.fc43.x86_64 100% |   4.8 MiB/s | 112.9 KiB |  00m00s
[ 37/148] fedora-gpg-keys-0:43-0.1.noar 100% |   4.7 MiB/s | 125.2 KiB |  00m00s
[ 38/148] fedora-repos-rawhide-0:43-0.1 100% | 353.8 KiB/s |   8.8 KiB |  00m00s
[ 39/148] rpm-build-libs-0:4.20.1-1.fc4 100% |   3.7 MiB/s |  99.7 KiB |  00m00s
[ 40/148] rpm-libs-0:4.20.1-1.fc43.x86_ 100% |   4.9 MiB/s | 312.2 KiB |  00m00s
[ 41/148] libxcrypt-0:4.4.38-6.fc43.x86 100% |   4.4 MiB/s | 127.3 KiB |  00m00s
[ 42/148] glibc-gconv-extra-0:2.41.9000 100% |  14.4 MiB/s |   1.5 MiB |  00m00s
[ 43/148] libselinux-0:3.8-1.fc42.x86_6 100% |   3.3 MiB/s |  97.1 KiB |  00m00s
[ 44/148] systemd-libs-0:257.4-3.fc43.x 100% |  23.8 MiB/s | 804.5 KiB |  00m00s
[ 45/148] libsepol-0:3.8-1.fc42.x86_64  100% |  11.4 MiB/s | 348.9 KiB |  00m00s
[ 46/148] ncurses-libs-0:6.5-5.20250125 100% |  10.6 MiB/s | 335.0 KiB |  00m00s
[ 47/148] ncurses-base-0:6.5-5.20250125 100% |   2.1 MiB/s |  63.5 KiB |  00m00s
[ 48/148] audit-libs-0:4.0.3-2.fc42.x86 100% |   4.1 MiB/s | 125.3 KiB |  00m00s
[ 49/148] pam-libs-0:1.7.0-4.fc42.x86_6 100% |   2.0 MiB/s |  58.3 KiB |  00m00s
[ 50/148] libeconf-0:0.7.6-1.fc43.x86_6 100% |   1.2 MiB/s |  35.2 KiB |  00m00s
[ 51/148] libcap-ng-0:0.8.5-4.fc42.x86_ 100% |   1.4 MiB/s |  32.2 KiB |  00m00s
[ 52/148] zlib-ng-compat-0:2.2.4-2.fc43 100% |   3.2 MiB/s |  79.1 KiB |  00m00s
[ 53/148] readline-0:8.2-13.fc43.x86_64 100% |   5.1 MiB/s | 212.9 KiB |  00m00s
[ 54/148] bzip2-libs-0:1.0.8-20.fc42.x8 100% |   1.8 MiB/s |  43.6 KiB |  00m00s
[ 55/148] libacl-0:2.3.2-3.fc42.x86_64  100% | 852.1 KiB/s |  23.0 KiB |  00m00s
[ 56/148] libgcc-0:15.0.1-0.10.fc43.x86 100% |   4.2 MiB/s | 119.8 KiB |  00m00s
[ 57/148] libcap-0:2.73-2.fc42.x86_64   100% |   3.4 MiB/s |  84.3 KiB |  00m00s
[ 58/148] setup-0:2.15.0-23.fc43.noarch 100% |   4.6 MiB/s | 151.1 KiB |  00m00s
[ 59/148] libsemanage-0:3.8-1.fc42.x86_ 100% |   4.8 MiB/s | 123.6 KiB |  00m00s
[ 60/148] libzstd-0:1.5.7-1.fc43.x86_64 100% |  10.2 MiB/s | 314.8 KiB |  00m00s
[ 61/148] lua-libs-0:5.4.7-3.fc43.x86_6 100% |   5.1 MiB/s | 130.4 KiB |  00m00s
[ 62/148] rpm-sequoia-0:1.7.0-5.fc43.x8 100% |  22.2 MiB/s | 911.1 KiB |  00m00s
[ 63/148] popt-0:1.19-8.fc42.x86_64     100% |   1.9 MiB/s |  59.4 KiB |  00m00s
[ 64/148] sqlite-libs-0:3.49.0-1.fc43.x 100% |  18.7 MiB/s | 766.3 KiB |  00m00s
[ 65/148] elfutils-libelf-0:0.192-9.fc4 100% | 618.7 KiB/s | 207.3 KiB |  00m00s
[ 66/148] elfutils-libs-0:0.192-9.fc41. 100% | 761.2 KiB/s | 261.8 KiB |  00m00s
[ 67/148] libgomp-0:15.0.1-0.10.fc43.x8 100% |  10.5 MiB/s | 353.5 KiB |  00m00s
[ 68/148] elfutils-debuginfod-client-0: 100% | 925.1 KiB/s |  46.3 KiB |  00m00s
[ 69/148] elfutils-0:0.192-9.fc41.x86_6 100% |   1.4 MiB/s | 546.1 KiB |  00m00s
[ 70/148] file-0:5.46-1.fc42.x86_64     100% |   1.8 MiB/s |  48.7 KiB |  00m00s
[ 71/148] file-libs-0:5.46-1.fc42.x86_6 100% |  25.9 MiB/s | 849.4 KiB |  00m00s
[ 72/148] alternatives-0:1.32-1.fc43.x8 100% |   1.4 MiB/s |  41.6 KiB |  00m00s
[ 73/148] jansson-0:2.14-2.fc42.x86_64  100% |   1.7 MiB/s |  45.7 KiB |  00m00s
[ 74/148] debugedit-0:5.1-5.fc43.x86_64 100% |   2.3 MiB/s |  78.6 KiB |  00m00s
[ 75/148] libarchive-0:3.7.7-4.fc43.x86 100% |   9.8 MiB/s | 411.7 KiB |  00m00s
[ 76/148] pkgconf-pkg-config-0:2.3.0-2. 100% | 268.2 KiB/s |   9.9 KiB |  00m00s
[ 77/148] zstd-0:1.5.7-1.fc43.x86_64    100% |   7.0 MiB/s | 485.8 KiB |  00m00s
[ 78/148] pkgconf-0:2.3.0-2.fc42.x86_64 100% |   1.2 MiB/s |  44.9 KiB |  00m00s
[ 79/148] pkgconf-m4-0:2.3.0-2.fc42.noa 100% | 618.9 KiB/s |  14.2 KiB |  00m00s
[ 80/148] libpkgconf-0:2.3.0-2.fc42.x86 100% |   1.5 MiB/s |  38.4 KiB |  00m00s
[ 81/148] curl-0:8.13.0~rc3-1.fc43.x86_ 100% |   6.9 MiB/s | 227.5 KiB |  00m00s
[ 82/148] build-reproducibility-srpm-ma 100% | 508.0 KiB/s |  11.7 KiB |  00m00s
[ 83/148] efi-srpm-macros-0:6-3.fc43.no 100% | 937.3 KiB/s |  22.5 KiB |  00m00s
[ 84/148] add-determinism-0:0.6.0-1.fc4 100% |  16.0 MiB/s | 918.3 KiB |  00m00s
[ 85/148] forge-srpm-macros-0:0.4.0-2.f 100% | 735.2 KiB/s |  19.9 KiB |  00m00s
[ 86/148] go-srpm-macros-0:3.6.0-7.fc43 100% |   1.0 MiB/s |  27.6 KiB |  00m00s
[ 87/148] pyproject-srpm-macros-0:1.18. 100% | 496.7 KiB/s |  13.9 KiB |  00m00s
[ 88/148] qt6-srpm-macros-0:6.8.2-2.fc4 100% | 387.5 KiB/s |   9.3 KiB |  00m00s
[ 89/148] tree-sitter-srpm-macros-0:0.2 100% | 371.7 KiB/s |  11.9 KiB |  00m00s
[ 90/148] ansible-srpm-macros-0:1-17.1. 100% | 725.5 KiB/s |  20.3 KiB |  00m00s
[ 91/148] dwz-0:0.15-9.fc42.x86_64      100% |   4.6 MiB/s | 135.7 KiB |  00m00s
[ 92/148] fonts-srpm-macros-1:2.0.5-21. 100% |   1.1 MiB/s |  27.1 KiB |  00m00s
[ 93/148] fpc-srpm-macros-0:1.3-14.fc42 100% | 348.7 KiB/s |   8.0 KiB |  00m00s
[ 94/148] ghc-srpm-macros-0:1.9.2-2.fc4 100% | 436.0 KiB/s |   9.2 KiB |  00m00s
[ 95/148] gnat-srpm-macros-0:6-7.fc42.n 100% | 410.1 KiB/s |   8.6 KiB |  00m00s
[ 96/148] kernel-srpm-macros-0:1.0-25.f 100% | 394.8 KiB/s |   9.9 KiB |  00m00s
[ 97/148] lua-srpm-macros-0:1-15.fc42.n 100% | 445.8 KiB/s |   8.9 KiB |  00m00s
[ 98/148] ocaml-srpm-macros-0:10-4.fc42 100% | 383.5 KiB/s |   9.2 KiB |  00m00s
[ 99/148] openblas-srpm-macros-0:2-19.f 100% | 298.7 KiB/s |   7.8 KiB |  00m00s
[100/148] package-notes-srpm-macros-0:0 100% | 420.9 KiB/s |   9.3 KiB |  00m00s
[101/148] perl-srpm-macros-0:1-57.fc42. 100% | 274.4 KiB/s |   8.5 KiB |  00m00s
[102/148] python-srpm-macros-0:3.13-5.f 100% | 893.4 KiB/s |  23.2 KiB |  00m00s
[103/148] binutils-0:2.44-3.fc43.x86_64 100% |  11.6 MiB/s |   5.8 MiB |  00m00s
[104/148] qt5-srpm-macros-0:5.15.16-1.f 100% | 366.1 KiB/s |   8.8 KiB |  00m00s
[105/148] rust-srpm-macros-0:26.3-4.fc4 100% | 468.2 KiB/s |  11.7 KiB |  00m00s
[106/148] zig-srpm-macros-0:1-4.fc42.no 100% | 257.6 KiB/s |   8.2 KiB |  00m00s
[107/148] zip-0:3.0-43.fc42.x86_64      100% |   8.0 MiB/s | 263.5 KiB |  00m00s
[108/148] ed-0:1.21-2.fc42.x86_64       100% |   2.5 MiB/s |  82.0 KiB |  00m00s
[109/148] libattr-0:2.5.2-5.fc42.x86_64 100% | 742.7 KiB/s |  17.1 KiB |  00m00s
[110/148] pcre2-0:10.45-1.fc43.x86_64   100% |   8.0 MiB/s | 262.8 KiB |  00m00s
[111/148] pcre2-syntax-0:10.45-1.fc43.n 100% |   6.3 MiB/s | 161.7 KiB |  00m00s
[112/148] lz4-libs-0:1.10.0-2.fc42.x86_ 100% |   2.3 MiB/s |  78.1 KiB |  00m00s
[113/148] libxml2-0:2.12.10-1.fc43.x86_ 100% |   8.1 MiB/s | 682.9 KiB |  00m00s
[114/148] mpfr-0:4.2.2-1.fc43.x86_64    100% |   9.1 MiB/s | 346.7 KiB |  00m00s
[115/148] openssl-libs-1:3.5.0-2.fc43.x 100% |  33.9 MiB/s |   2.6 MiB |  00m00s
[116/148] json-c-0:0.18-2.fc42.x86_64   100% |   1.5 MiB/s |  44.9 KiB |  00m00s
[117/148] libstdc++-0:15.0.1-0.10.fc43. 100% |  20.3 MiB/s | 896.0 KiB |  00m00s
[118/148] elfutils-default-yama-scope-0 100% | 224.9 KiB/s |  12.4 KiB |  00m00s
[119/148] crypto-policies-0:20250324-1. 100% |   1.5 MiB/s |  73.6 KiB |  00m00s
[120/148] libffi-0:3.4.7-2.fc43.x86_64  100% |   1.3 MiB/s |  40.0 KiB |  00m00s
[121/148] ca-certificates-0:2024.2.69_v 100% |  16.2 MiB/s | 945.0 KiB |  00m00s
[122/148] p11-kit-trust-0:0.25.5-5.fc42 100% |   4.8 MiB/s | 132.6 KiB |  00m00s
[123/148] p11-kit-0:0.25.5-5.fc42.x86_6 100% |  15.6 MiB/s | 478.0 KiB |  00m00s
[124/148] libtasn1-0:4.20.0-1.fc43.x86_ 100% |   2.2 MiB/s |  75.0 KiB |  00m00s
[125/148] systemd-standalone-sysusers-0 100% |   5.8 MiB/s | 155.4 KiB |  00m00s
[126/148] fedora-release-0:43-0.8.noarc 100% | 432.8 KiB/s |  14.7 KiB |  00m00s
[127/148] fedora-release-identity-basic 100% | 675.0 KiB/s |  15.5 KiB |  00m00s
[128/148] gmp-1:6.3.0-3.fc43.x86_64     100% |   9.5 MiB/s | 322.2 KiB |  00m00s
[129/148] libcurl-0:8.13.0~rc3-1.fc43.x 100% |  15.2 MiB/s | 389.3 KiB |  00m00s
[130/148] libnghttp2-0:1.65.0-1.fc43.x8 100% |   3.2 MiB/s |  72.6 KiB |  00m00s
[131/148] libssh-config-0:0.11.1-4.fc42 100% | 333.4 KiB/s |   9.0 KiB |  00m00s
[132/148] libssh-0:0.11.1-4.fc42.x86_64 100% |   6.9 MiB/s | 233.3 KiB |  00m00s
[133/148] xxhash-libs-0:0.8.3-2.fc42.x8 100% |   1.7 MiB/s |  39.1 KiB |  00m00s
[134/148] krb5-libs-0:1.21.3-5.fc42.x86 100% |  11.8 MiB/s | 760.6 KiB |  00m00s
[135/148] gdb-minimal-0:16.2-2.fc43.x86 100% |  24.2 MiB/s |   4.4 MiB |  00m00s
[136/148] libidn2-0:2.3.8-1.fc43.x86_64 100% |   2.6 MiB/s | 168.9 KiB |  00m00s
[137/148] openldap-0:2.6.9-5.fc43.x86_6 100% |   8.4 MiB/s | 258.6 KiB |  00m00s
[138/148] libbrotli-0:1.1.0-6.fc42.x86_ 100% |   8.1 MiB/s | 339.8 KiB |  00m00s
[139/148] keyutils-libs-0:1.6.3-5.fc42. 100% |   1.0 MiB/s |  31.5 KiB |  00m00s
[140/148] libpsl-0:0.21.5-5.fc42.x86_64 100% |   1.0 MiB/s |  64.0 KiB |  00m00s
[141/148] libverto-0:0.3.2-10.fc42.x86_ 100% | 742.9 KiB/s |  20.8 KiB |  00m00s
[142/148] libcom_err-0:1.47.2-3.fc42.x8 100% | 690.5 KiB/s |  26.9 KiB |  00m00s
[143/148] libevent-0:2.1.12-15.fc42.x86 100% |   8.8 MiB/s | 260.2 KiB |  00m00s
[144/148] cyrus-sasl-lib-0:2.1.28-30.fc 100% |  12.7 MiB/s | 793.5 KiB |  00m00s
[145/148] libtool-ltdl-0:2.5.4-4.fc42.x 100% | 861.2 KiB/s |  36.2 KiB |  00m00s
[146/148] publicsuffix-list-dafsa-0:202 100% |   2.3 MiB/s |  58.8 KiB |  00m00s
[147/148] gdbm-libs-1:1.23-9.fc42.x86_6 100% |   1.6 MiB/s |  57.0 KiB |  00m00s
[148/148] libunistring-0:1.1-9.fc42.x86 100% |  14.3 MiB/s | 542.5 KiB |  00m00s
--------------------------------------------------------------------------------
[148/148] Total                         100% |  21.6 MiB/s |  51.7 MiB |  00m02s
Running transaction
Importing OpenPGP key 0xE99D6AD1:
 UserID     : "Fedora (41) <fedora-41-primary@fedoraproject.org>"
 Fingerprint: 466CF2D8B60BC3057AA9453ED0622462E99D6AD1
 From       : file:///usr/share/distribution-gpg-keys/fedora/RPM-GPG-KEY-fedora-41-primary
The key was successfully imported.
[  1/150] Verify package files          100% | 751.0   B/s | 148.0   B |  00m00s
>>> Running pre-transaction scriptlet: filesystem-0:3.18-38.fc43.x86_64         
>>> Finished pre-transaction scriptlet: filesystem-0:3.18-38.fc43.x86_64        
>>> [RPM] /var/lib/mock/fedora-41-x86_64-1743157259.647785/root/var/cache/dnf/co
[  2/150] Prepare transaction           100% |   1.8 KiB/s | 148.0   B |  00m00s
[  3/150] Installing libgcc-0:15.0.1-0. 100% | 131.0 MiB/s | 268.3 KiB |  00m00s
[  4/150] Installing publicsuffix-list- 100% |  67.6 MiB/s |  69.2 KiB |  00m00s
[  5/150] Installing libssh-config-0:0. 100% |   0.0   B/s | 816.0   B |  00m00s
[  6/150] Installing fedora-release-ide 100% |   0.0   B/s | 976.0   B |  00m00s
[  7/150] Installing fedora-repos-rawhi 100% |   0.0   B/s |   2.4 KiB |  00m00s
[  8/150] Installing fedora-gpg-keys-0: 100% |  19.0 MiB/s | 174.8 KiB |  00m00s
[  9/150] Installing fedora-repos-0:43- 100% |   0.0   B/s |   5.7 KiB |  00m00s
[ 10/150] Installing fedora-release-com 100% |  12.0 MiB/s |  24.6 KiB |  00m00s
[ 11/150] Installing fedora-release-0:4 100% |   0.0   B/s | 124.0   B |  00m00s
[ 12/150] Installing setup-0:2.15.0-23. 100% |  47.5 MiB/s | 730.3 KiB |  00m00s
>>> [RPM] /etc/hosts created as /etc/hosts.rpmnew                               
[ 13/150] Installing filesystem-0:3.18- 100% |   1.4 MiB/s | 212.4 KiB |  00m00s
[ 14/150] Installing pcre2-syntax-0:10. 100% | 135.0 MiB/s | 276.4 KiB |  00m00s
[ 15/150] Installing rust-srpm-macros-0 100% |   0.0   B/s |   5.6 KiB |  00m00s
[ 16/150] Installing qt5-srpm-macros-0: 100% |   0.0   B/s | 776.0   B |  00m00s
[ 17/150] Installing perl-srpm-macros-0 100% |   0.0   B/s |   1.1 KiB |  00m00s
[ 18/150] Installing package-notes-srpm 100% |   0.0   B/s |   2.0 KiB |  00m00s
[ 19/150] Installing openblas-srpm-macr 100% |   0.0   B/s | 392.0   B |  00m00s
[ 20/150] Installing ocaml-srpm-macros- 100% |   0.0   B/s |   2.2 KiB |  00m00s
[ 21/150] Installing kernel-srpm-macros 100% |   0.0   B/s |   2.3 KiB |  00m00s
[ 22/150] Installing gnat-srpm-macros-0 100% |   0.0   B/s |   1.3 KiB |  00m00s
[ 23/150] Installing ghc-srpm-macros-0: 100% |   0.0   B/s |   1.0 KiB |  00m00s
[ 24/150] Installing fpc-srpm-macros-0: 100% |   0.0   B/s | 420.0   B |  00m00s
[ 25/150] Installing ansible-srpm-macro 100% |   0.0   B/s |  36.2 KiB |  00m00s
[ 26/150] Installing qt6-srpm-macros-0: 100% |   0.0   B/s | 740.0   B |  00m00s
[ 27/150] Installing pkgconf-m4-0:2.3.0 100% |  14.5 MiB/s |  14.8 KiB |  00m00s
[ 28/150] Installing ncurses-base-0:6.5 100% |  38.2 MiB/s | 352.2 KiB |  00m00s
[ 29/150] Installing glibc-minimal-lang 100% |   0.0   B/s | 124.0   B |  00m00s
[ 30/150] Installing ncurses-libs-0:6.5 100% | 155.1 MiB/s | 952.8 KiB |  00m00s
[ 31/150] Installing glibc-0:2.41.9000- 100% | 155.0 MiB/s |   6.7 MiB |  00m00s
[ 32/150] Installing bash-0:5.2.37-3.fc 100% | 204.5 MiB/s |   8.2 MiB |  00m00s
[ 33/150] Installing glibc-common-0:2.4 100% |  56.7 MiB/s |   1.0 MiB |  00m00s
[ 34/150] Installing glibc-gconv-extra- 100% | 138.0 MiB/s |   7.3 MiB |  00m00s
[ 35/150] Installing zlib-ng-compat-0:2 100% | 135.2 MiB/s | 138.4 KiB |  00m00s
[ 36/150] Installing xz-libs-1:5.8.0-1. 100% | 213.8 MiB/s | 218.9 KiB |  00m00s
[ 37/150] Installing bzip2-libs-0:1.0.8 100% |  83.7 MiB/s |  85.7 KiB |  00m00s
[ 38/150] Installing libuuid-0:2.40.4-7 100% |  37.5 MiB/s |  38.4 KiB |  00m00s
[ 39/150] Installing libblkid-0:2.40.4- 100% | 128.6 MiB/s | 263.4 KiB |  00m00s
[ 40/150] Installing libxcrypt-0:4.4.38 100% | 140.2 MiB/s | 287.2 KiB |  00m00s
[ 41/150] Installing readline-0:8.2-13. 100% | 237.8 MiB/s | 487.1 KiB |  00m00s
[ 42/150] Installing libzstd-0:1.5.7-1. 100% | 263.4 MiB/s | 809.1 KiB |  00m00s
[ 43/150] Installing elfutils-libelf-0: 100% | 292.5 MiB/s |   1.2 MiB |  00m00s
[ 44/150] Installing popt-0:1.19-8.fc42 100% |  27.2 MiB/s | 139.4 KiB |  00m00s
[ 45/150] Installing libstdc++-0:15.0.1 100% | 281.2 MiB/s |   2.8 MiB |  00m00s
[ 46/150] Installing gmp-1:6.3.0-3.fc43 100% | 267.4 MiB/s | 821.5 KiB |  00m00s
[ 47/150] Installing libattr-0:2.5.2-5. 100% |  27.4 MiB/s |  28.1 KiB |  00m00s
[ 48/150] Installing libacl-0:2.3.2-3.f 100% |  38.2 MiB/s |  39.2 KiB |  00m00s
[ 49/150] Installing mpfr-0:4.2.2-1.fc4 100% | 202.7 MiB/s | 830.4 KiB |  00m00s
[ 50/150] Installing gawk-0:5.3.1-1.fc4 100% |  80.7 MiB/s |   1.7 MiB |  00m00s
[ 51/150] Installing dwz-0:0.15-9.fc42. 100% |  23.8 MiB/s | 292.4 KiB |  00m00s
[ 52/150] Installing unzip-0:6.0-66.fc4 100% |  29.6 MiB/s | 393.8 KiB |  00m00s
[ 53/150] Installing file-libs-0:5.46-1 100% | 494.1 MiB/s |  11.9 MiB |  00m00s
[ 54/150] Installing file-0:5.46-1.fc42 100% |   3.7 MiB/s | 101.7 KiB |  00m00s
[ 55/150] Installing crypto-policies-0: 100% |  16.1 MiB/s | 164.6 KiB |  00m00s
[ 56/150] Installing libsmartcols-0:2.4 100% | 177.3 MiB/s | 181.5 KiB |  00m00s
[ 57/150] Installing libsepol-0:3.8-1.f 100% | 201.9 MiB/s | 827.0 KiB |  00m00s
[ 58/150] Installing libeconf-0:0.7.6-1 100% |  64.7 MiB/s |  66.2 KiB |  00m00s
[ 59/150] Installing libcap-ng-0:0.8.5- 100% |  73.1 MiB/s |  74.8 KiB |  00m00s
[ 60/150] Installing audit-libs-0:4.0.3 100% | 172.6 MiB/s | 353.4 KiB |  00m00s
[ 61/150] Installing pam-libs-0:1.7.0-4 100% |  63.1 MiB/s | 129.1 KiB |  00m00s
[ 62/150] Installing libcap-0:2.73-2.fc 100% |  13.8 MiB/s | 212.1 KiB |  00m00s
[ 63/150] Installing systemd-libs-0:257 100% | 247.1 MiB/s |   2.2 MiB |  00m00s
[ 64/150] Installing lua-libs-0:5.4.7-3 100% | 135.8 MiB/s | 278.1 KiB |  00m00s
[ 65/150] Installing alternatives-0:1.3 100% |   5.2 MiB/s |  63.8 KiB |  00m00s
[ 66/150] Installing pcre2-0:10.45-1.fc 100% | 227.6 MiB/s | 699.1 KiB |  00m00s
[ 67/150] Installing libselinux-0:3.8-1 100% |  94.9 MiB/s | 194.3 KiB |  00m00s
[ 68/150] Installing grep-0:3.11-10.fc4 100% |  52.8 MiB/s |   1.0 MiB |  00m00s
[ 69/150] Installing findutils-1:4.10.0 100% |  89.2 MiB/s |   1.9 MiB |  00m00s
[ 70/150] Installing sed-0:4.9-4.fc42.x 100% |  47.0 MiB/s | 865.5 KiB |  00m00s
[ 71/150] Installing xz-1:5.8.0-1.fc43. 100% |  60.5 MiB/s |   1.3 MiB |  00m00s
[ 72/150] Installing libmount-0:2.40.4- 100% | 174.5 MiB/s | 357.4 KiB |  00m00s
[ 73/150] Installing lz4-libs-0:1.10.0- 100% | 154.7 MiB/s | 158.5 KiB |  00m00s
[ 74/150] Installing libffi-0:3.4.7-2.f 100% |  82.0 MiB/s |  84.0 KiB |  00m00s
[ 75/150] Installing libtasn1-0:4.20.0- 100% |  87.0 MiB/s | 178.1 KiB |  00m00s
[ 76/150] Installing p11-kit-0:0.25.5-5 100% |  87.4 MiB/s |   2.2 MiB |  00m00s
[ 77/150] Installing libunistring-0:1.1 100% | 287.8 MiB/s |   1.7 MiB |  00m00s
[ 78/150] Installing libidn2-0:2.3.8-1. 100% | 109.1 MiB/s | 558.7 KiB |  00m00s
[ 79/150] Installing libpsl-0:0.21.5-5. 100% |  75.7 MiB/s |  77.5 KiB |  00m00s
[ 80/150] Installing p11-kit-trust-0:0. 100% |  13.4 MiB/s | 397.2 KiB |  00m00s
[ 81/150] Installing zstd-0:1.5.7-1.fc4 100% |  90.0 MiB/s |   1.7 MiB |  00m00s
[ 82/150] Installing util-linux-core-0: 100% |  64.9 MiB/s |   1.4 MiB |  00m00s
[ 83/150] Installing tar-2:1.35-5.fc42. 100% | 118.5 MiB/s |   3.0 MiB |  00m00s
[ 84/150] Installing libsemanage-0:3.8- 100% | 151.5 MiB/s | 310.2 KiB |  00m00s
[ 85/150] Installing systemd-standalone 100% |  22.3 MiB/s | 273.8 KiB |  00m00s
[ 86/150] Installing zip-0:3.0-43.fc42. 100% |  49.0 MiB/s | 702.4 KiB |  00m00s
[ 87/150] Installing libfdisk-0:2.40.4- 100% | 182.4 MiB/s | 373.5 KiB |  00m00s
[ 88/150] Installing bzip2-0:1.0.8-20.f 100% |   7.8 MiB/s | 103.8 KiB |  00m00s
[ 89/150] Installing libxml2-0:2.12.10- 100% |  94.3 MiB/s |   1.7 MiB |  00m00s
[ 90/150] Installing add-determinism-0: 100% | 117.4 MiB/s |   2.5 MiB |  00m00s
[ 91/150] Installing build-reproducibil 100% |   0.0   B/s |   1.0 KiB |  00m00s
[ 92/150] Installing filesystem-srpm-ma 100% |  38.0 MiB/s |  38.9 KiB |  00m00s
[ 93/150] Installing ed-0:1.21-2.fc42.x 100% |  12.1 MiB/s | 148.8 KiB |  00m00s
[ 94/150] Installing patch-0:2.7.6-26.f 100% |  19.5 MiB/s | 260.2 KiB |  00m00s
[ 95/150] Installing elfutils-default-y 100% | 145.9 KiB/s |   2.0 KiB |  00m00s
[ 96/150] Installing elfutils-libs-0:0. 100% | 164.1 MiB/s | 672.1 KiB |  00m00s
[ 97/150] Installing cpio-0:2.15-2.fc41 100% |  55.0 MiB/s |   1.1 MiB |  00m00s
[ 98/150] Installing diffutils-0:3.11-3 100% |  77.7 MiB/s |   1.6 MiB |  00m00s
[ 99/150] Installing sqlite-libs-0:3.49 100% | 254.0 MiB/s |   1.5 MiB |  00m00s
[100/150] Installing libgomp-0:15.0.1-0 100% | 262.4 MiB/s | 537.3 KiB |  00m00s
[101/150] Installing jansson-0:2.14-2.f 100% |  92.2 MiB/s |  94.4 KiB |  00m00s
[102/150] Installing libpkgconf-0:2.3.0 100% |  77.4 MiB/s |  79.2 KiB |  00m00s
[103/150] Installing pkgconf-0:2.3.0-2. 100% |   6.8 MiB/s |  91.0 KiB |  00m00s
[104/150] Installing pkgconf-pkg-config 100% | 161.2 KiB/s |   1.8 KiB |  00m00s
[105/150] Installing json-c-0:0.18-2.fc 100% |  85.9 MiB/s |  88.0 KiB |  00m00s
[106/150] Installing libnghttp2-0:1.65. 100% | 159.5 MiB/s | 163.3 KiB |  00m00s
[107/150] Installing xxhash-libs-0:0.8. 100% |  89.4 MiB/s |  91.6 KiB |  00m00s
[108/150] Installing libbrotli-0:1.1.0- 100% | 205.9 MiB/s | 843.6 KiB |  00m00s
[109/150] Installing keyutils-libs-0:1. 100% |  58.3 MiB/s |  59.7 KiB |  00m00s
[110/150] Installing libcom_err-0:1.47. 100% |  66.6 MiB/s |  68.2 KiB |  00m00s
[111/150] Installing libverto-0:0.3.2-1 100% |  26.6 MiB/s |  27.2 KiB |  00m00s
[112/150] Installing libtool-ltdl-0:2.5 100% |  69.6 MiB/s |  71.2 KiB |  00m00s
[113/150] Installing gdbm-libs-1:1.23-9 100% | 128.5 MiB/s | 131.6 KiB |  00m00s
[114/150] Installing cyrus-sasl-lib-0:2 100% | 109.7 MiB/s |   2.3 MiB |  00m00s
[115/150] Installing coreutils-common-0 100% | 247.9 MiB/s |  11.2 MiB |  00m00s
[116/150] Installing openssl-libs-1:3.5 100% | 317.3 MiB/s |   8.9 MiB |  00m00s
[117/150] Installing coreutils-0:9.6-2. 100% | 103.0 MiB/s |   5.5 MiB |  00m00s
[118/150] Installing ca-certificates-0: 100% |   1.2 MiB/s |   2.4 MiB |  00m02s
[119/150] Installing libarchive-0:3.7.7 100% | 130.1 MiB/s | 932.6 KiB |  00m00s
[120/150] Installing krb5-libs-0:1.21.3 100% | 191.6 MiB/s |   2.3 MiB |  00m00s
[121/150] Installing libssh-0:0.11.1-4. 100% | 184.7 MiB/s | 567.5 KiB |  00m00s
[122/150] Installing gzip-0:1.13-3.fc42 100% |  24.3 MiB/s | 398.4 KiB |  00m00s
[123/150] Installing rpm-sequoia-0:1.7. 100% | 268.3 MiB/s |   2.4 MiB |  00m00s
[124/150] Installing rpm-libs-0:4.20.1- 100% | 176.6 MiB/s | 723.4 KiB |  00m00s
[125/150] Installing rpm-build-libs-0:4 100% | 101.3 MiB/s | 207.4 KiB |  00m00s
[126/150] Installing libevent-0:2.1.12- 100% | 177.1 MiB/s | 906.9 KiB |  00m00s
[127/150] Installing openldap-0:2.6.9-5 100% | 160.9 MiB/s | 658.9 KiB |  00m00s
[128/150] Installing libcurl-0:8.13.0~r 100% | 212.7 MiB/s | 871.4 KiB |  00m00s
[129/150] Installing elfutils-debuginfo 100% |   6.5 MiB/s |  86.5 KiB |  00m00s
[130/150] Installing elfutils-0:0.192-9 100% | 116.3 MiB/s |   2.7 MiB |  00m00s
[131/150] Installing binutils-0:2.44-3. 100% | 212.3 MiB/s |  25.9 MiB |  00m00s
[132/150] Installing gdb-minimal-0:16.2 100% | 237.5 MiB/s |  13.3 MiB |  00m00s
[133/150] Installing debugedit-0:5.1-5. 100% |  14.7 MiB/s | 195.4 KiB |  00m00s
[134/150] Installing curl-0:8.13.0~rc3- 100% |  11.2 MiB/s | 459.5 KiB |  00m00s
[135/150] Installing rpm-0:4.20.1-1.fc4 100% |  60.9 MiB/s |   2.5 MiB |  00m00s
[136/150] Installing efi-srpm-macros-0: 100% |  40.2 MiB/s |  41.1 KiB |  00m00s
[137/150] Installing tree-sitter-srpm-m 100% |   7.8 MiB/s |   7.9 KiB |  00m00s
[138/150] Installing lua-srpm-macros-0: 100% |   0.0   B/s |   1.9 KiB |  00m00s
[139/150] Installing zig-srpm-macros-0: 100% |   0.0   B/s |   1.7 KiB |  00m00s
[140/150] Installing forge-srpm-macros- 100% |  39.3 MiB/s |  40.3 KiB |  00m00s
[141/150] Installing go-srpm-macros-0:3 100% |  60.5 MiB/s |  62.0 KiB |  00m00s
[142/150] Installing fonts-srpm-macros- 100% |  55.7 MiB/s |  57.0 KiB |  00m00s
[143/150] Installing python-srpm-macros 100% |  51.8 MiB/s |  53.0 KiB |  00m00s
[144/150] Installing redhat-rpm-config- 100% |  63.0 MiB/s | 193.5 KiB |  00m00s
[145/150] Installing rpm-build-0:4.20.1 100% |  10.8 MiB/s | 177.4 KiB |  00m00s
[146/150] Installing pyproject-srpm-mac 100% |   2.4 MiB/s |   2.5 KiB |  00m00s
[147/150] Installing util-linux-0:2.40. 100% |  59.7 MiB/s |   3.5 MiB |  00m00s
[148/150] Installing which-0:2.23-1.fc4 100% |   5.6 MiB/s |  85.6 KiB |  00m00s
[149/150] Installing shadow-utils-2:4.1 100% |  84.5 MiB/s |   4.1 MiB |  00m00s
[150/150] Installing info-0:7.2-3.fc42. 100% | 129.3 KiB/s | 358.3 KiB |  00m03s
Warning: skipped OpenPGP checks for 143 packages from repositories: copr_base, http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch
Complete!
Finish: installing minimal buildroot with dnf5
Start: creating root cache
Finish: creating root cache
Finish: chroot init
INFO: Installed packages:
INFO: add-determinism-0.6.0-1.fc43.x86_64
alternatives-1.32-1.fc43.x86_64
ansible-srpm-macros-1-17.1.fc42.noarch
audit-libs-4.0.3-2.fc42.x86_64
bash-5.2.37-3.fc43.x86_64
binutils-2.44-3.fc43.x86_64
build-reproducibility-srpm-macros-0.6.0-1.fc43.noarch
bzip2-1.0.8-20.fc42.x86_64
bzip2-libs-1.0.8-20.fc42.x86_64
ca-certificates-2024.2.69_v8.0.401-5.fc42.noarch
coreutils-9.6-2.fc43.x86_64
coreutils-common-9.6-2.fc43.x86_64
cpio-2.15-2.fc41.x86_64
crypto-policies-20250324-1.git3714354.fc43.noarch
curl-8.13.0~rc3-1.fc43.x86_64
cyrus-sasl-lib-2.1.28-30.fc42.x86_64
debugedit-5.1-5.fc43.x86_64
diffutils-3.11-3.fc43.x86_64
dwz-0.15-9.fc42.x86_64
ed-1.21-2.fc42.x86_64
efi-srpm-macros-6-3.fc43.noarch
elfutils-0.192-9.fc41.x86_64
elfutils-debuginfod-client-0.192-9.fc41.x86_64
elfutils-default-yama-scope-0.192-9.fc41.noarch
elfutils-libelf-0.192-9.fc41.x86_64
elfutils-libs-0.192-9.fc41.x86_64
fedora-gpg-keys-43-0.1.noarch
fedora-release-43-0.8.noarch
fedora-release-common-43-0.8.noarch
fedora-release-identity-basic-43-0.8.noarch
fedora-repos-43-0.1.noarch
fedora-repos-rawhide-43-0.1.noarch
file-5.46-1.fc42.x86_64
file-libs-5.46-1.fc42.x86_64
filesystem-3.18-38.fc43.x86_64
filesystem-srpm-macros-3.18-38.fc43.noarch
findutils-4.10.0-5.fc42.x86_64
fonts-srpm-macros-2.0.5-21.fc42.noarch
forge-srpm-macros-0.4.0-2.fc42.noarch
fpc-srpm-macros-1.3-14.fc42.noarch
gawk-5.3.1-1.fc42.x86_64
gdb-minimal-16.2-2.fc43.x86_64
gdbm-libs-1.23-9.fc42.x86_64
ghc-srpm-macros-1.9.2-2.fc42.noarch
glibc-2.41.9000-6.fc43.x86_64
glibc-common-2.41.9000-6.fc43.x86_64
glibc-gconv-extra-2.41.9000-6.fc43.x86_64
glibc-minimal-langpack-2.41.9000-6.fc43.x86_64
gmp-6.3.0-3.fc43.x86_64
gnat-srpm-macros-6-7.fc42.noarch
go-srpm-macros-3.6.0-7.fc43.noarch
gpg-pubkey-e99d6ad1-64d2612c
grep-3.11-10.fc42.x86_64
gzip-1.13-3.fc42.x86_64
info-7.2-3.fc42.x86_64
jansson-2.14-2.fc42.x86_64
json-c-0.18-2.fc42.x86_64
kernel-srpm-macros-1.0-25.fc42.noarch
keyutils-libs-1.6.3-5.fc42.x86_64
krb5-libs-1.21.3-5.fc42.x86_64
libacl-2.3.2-3.fc42.x86_64
libarchive-3.7.7-4.fc43.x86_64
libattr-2.5.2-5.fc42.x86_64
libblkid-2.40.4-7.fc43.x86_64
libbrotli-1.1.0-6.fc42.x86_64
libcap-2.73-2.fc42.x86_64
libcap-ng-0.8.5-4.fc42.x86_64
libcom_err-1.47.2-3.fc42.x86_64
libcurl-8.13.0~rc3-1.fc43.x86_64
libeconf-0.7.6-1.fc43.x86_64
libevent-2.1.12-15.fc42.x86_64
libfdisk-2.40.4-7.fc43.x86_64
libffi-3.4.7-2.fc43.x86_64
libgcc-15.0.1-0.10.fc43.x86_64
libgomp-15.0.1-0.10.fc43.x86_64
libidn2-2.3.8-1.fc43.x86_64
libmount-2.40.4-7.fc43.x86_64
libnghttp2-1.65.0-1.fc43.x86_64
libpkgconf-2.3.0-2.fc42.x86_64
libpsl-0.21.5-5.fc42.x86_64
libselinux-3.8-1.fc42.x86_64
libsemanage-3.8-1.fc42.x86_64
libsepol-3.8-1.fc42.x86_64
libsmartcols-2.40.4-7.fc43.x86_64
libssh-0.11.1-4.fc42.x86_64
libssh-config-0.11.1-4.fc42.noarch
libstdc++-15.0.1-0.10.fc43.x86_64
libtasn1-4.20.0-1.fc43.x86_64
libtool-ltdl-2.5.4-4.fc42.x86_64
libunistring-1.1-9.fc42.x86_64
libuuid-2.40.4-7.fc43.x86_64
libverto-0.3.2-10.fc42.x86_64
libxcrypt-4.4.38-6.fc43.x86_64
libxml2-2.12.10-1.fc43.x86_64
libzstd-1.5.7-1.fc43.x86_64
lua-libs-5.4.7-3.fc43.x86_64
lua-srpm-macros-1-15.fc42.noarch
lz4-libs-1.10.0-2.fc42.x86_64
mpfr-4.2.2-1.fc43.x86_64
ncurses-base-6.5-5.20250125.fc42.noarch
ncurses-libs-6.5-5.20250125.fc42.x86_64
ocaml-srpm-macros-10-4.fc42.noarch
openblas-srpm-macros-2-19.fc42.noarch
openldap-2.6.9-5.fc43.x86_64
openssl-libs-3.5.0-2.fc43.x86_64
p11-kit-0.25.5-5.fc42.x86_64
p11-kit-trust-0.25.5-5.fc42.x86_64
package-notes-srpm-macros-0.5-13.fc42.noarch
pam-libs-1.7.0-4.fc42.x86_64
patch-2.7.6-26.fc42.x86_64
pcre2-10.45-1.fc43.x86_64
pcre2-syntax-10.45-1.fc43.noarch
perl-srpm-macros-1-57.fc42.noarch
pkgconf-2.3.0-2.fc42.x86_64
pkgconf-m4-2.3.0-2.fc42.noarch
pkgconf-pkg-config-2.3.0-2.fc42.x86_64
popt-1.19-8.fc42.x86_64
publicsuffix-list-dafsa-20250116-1.fc42.noarch
pyproject-srpm-macros-1.18.1-1.fc43.noarch
python-srpm-macros-3.13-5.fc43.noarch
qt5-srpm-macros-5.15.16-1.fc43.noarch
qt6-srpm-macros-6.8.2-2.fc43.noarch
readline-8.2-13.fc43.x86_64
redhat-rpm-config-342-2.fc42.noarch
rpm-4.20.1-1.fc43.x86_64
rpm-build-4.20.1-1.fc43.x86_64
rpm-build-libs-4.20.1-1.fc43.x86_64
rpm-libs-4.20.1-1.fc43.x86_64
rpm-sequoia-1.7.0-5.fc43.x86_64
rust-srpm-macros-26.3-4.fc42.noarch
sed-4.9-4.fc42.x86_64
setup-2.15.0-23.fc43.noarch
shadow-utils-4.17.4-1.fc43.x86_64
sqlite-libs-3.49.0-1.fc43.x86_64
systemd-libs-257.4-3.fc43.x86_64
systemd-standalone-sysusers-257.4-3.fc43.x86_64
tar-1.35-5.fc42.x86_64
tree-sitter-srpm-macros-0.2.0-1.fc43.noarch
unzip-6.0-66.fc42.x86_64
util-linux-2.40.4-7.fc43.x86_64
util-linux-core-2.40.4-7.fc43.x86_64
which-2.23-1.fc42.x86_64
xxhash-libs-0.8.3-2.fc42.x86_64
xz-5.8.0-1.fc43.x86_64
xz-libs-5.8.0-1.fc43.x86_64
zig-srpm-macros-1-4.fc42.noarch
zip-3.0-43.fc42.x86_64
zlib-ng-compat-2.2.4-2.fc43.x86_64
zstd-1.5.7-1.fc43.x86_64
Start: buildsrpm
Start: rpmbuild -bs
Building target platforms: x86_64
Building for target x86_64
sh: line 1: perl: command not found
setting SOURCE_DATE_EPOCH=1742515200
Wrote: /builddir/build/SRPMS/openbabel-3.1.1-33.fc43.src.rpm
Finish: rpmbuild -bs
INFO: chroot_scan: 1 files copied to /var/lib/copr-rpmbuild/results/chroot_scan
INFO: /var/lib/mock/fedora-41-x86_64-1743157259.647785/root/var/log/dnf5.log
INFO: chroot_scan: creating tarball /var/lib/copr-rpmbuild/results/chroot_scan.tar.gz
/bin/tar: Removing leading `/' from member names
Finish: buildsrpm
INFO: Done(/var/lib/copr-rpmbuild/workspace/workdir-1axpl_e8/openbabel/openbabel.spec) Config(child) 0 minutes 37 seconds
INFO: Results and/or logs in: /var/lib/copr-rpmbuild/results
INFO: Cleaning up build root ('cleanup_on_success=True')
Start: clean chroot
INFO: unmounting tmpfs.
Finish: clean chroot
INFO: Start(/var/lib/copr-rpmbuild/results/openbabel-3.1.1-33.fc43.src.rpm)  Config(fedora-41-x86_64)
Start(bootstrap): chroot init
INFO: mounting tmpfs at /var/lib/mock/fedora-41-x86_64-bootstrap-1743157259.647785/root.
INFO: reusing tmpfs at /var/lib/mock/fedora-41-x86_64-bootstrap-1743157259.647785/root.
INFO: calling preinit hooks
INFO: enabled root cache
INFO: enabled package manager cache
Start(bootstrap): cleaning package manager metadata
Finish(bootstrap): cleaning package manager metadata
Finish(bootstrap): chroot init
Start: chroot init
INFO: mounting tmpfs at /var/lib/mock/fedora-41-x86_64-1743157259.647785/root.
INFO: calling preinit hooks
INFO: enabled root cache
Start: unpacking root cache
Finish: unpacking root cache
INFO: enabled package manager cache
Start: cleaning package manager metadata
Finish: cleaning package manager metadata
INFO: enabled HW Info plugin
INFO: Buildroot is handled by package management downloaded with a bootstrap image:
  rpm-4.20.1-1.fc41.x86_64
  rpm-sequoia-1.7.0-5.fc41.x86_64
  dnf5-5.2.12.0-1.fc41.x86_64
  dnf5-plugins-5.2.12.0-1.fc41.x86_64
Finish: chroot init
Start: build phase for openbabel-3.1.1-33.fc43.src.rpm
Start: build setup for openbabel-3.1.1-33.fc43.src.rpm
Building target platforms: x86_64
Building for target x86_64
sh: line 1: perl: command not found
setting SOURCE_DATE_EPOCH=1742515200
Wrote: /builddir/build/SRPMS/openbabel-3.1.1-33.fc43.src.rpm
Updating and loading repositories:
 updates                                100% |   1.0 MiB/s |  29.6 KiB |  00m00s
 fedora                                 100% | 952.8 KiB/s |  30.5 KiB |  00m00s
 Copr repository                        100% |  51.2 KiB/s |   1.5 KiB |  00m00s
 Additional repo http_kojipkgs_fedorapr 100% |  63.8 KiB/s |   3.8 KiB |  00m00s
Repositories loaded.
Package                               Arch   Version                         Repository                                                         Size
Installing:
 ImageMagick                          x86_64 1:7.1.1.46-1.fc43               copr_base                                                      88.2 KiB
 boost-devel                          x86_64 1.83.0-12.fc42                  copr_base                                                     143.0 MiB
 cmake                                x86_64 3.31.6-2.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  34.2 MiB
 desktop-file-utils                   x86_64 0.28-1.fc43                     http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 218.4 KiB
 dos2unix                             x86_64 7.5.2-3.fc42                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 831.5 KiB
 eigen3-devel                         noarch 3.4.0-17.fc42                   copr_base                                                       8.4 MiB
 gcc-c++                              x86_64 15.0.1-0.10.fc43                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  41.1 MiB
 inchi-devel                          x86_64 1.0.6-12.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  97.0 KiB
 libxml2-devel                        x86_64 2.12.10-1.fc43                  http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   3.4 MiB
 make                                 x86_64 1:4.4.1-10.fc42                 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.8 MiB
 perl-devel                           x86_64 4:5.40.1-515.fc42               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   8.0 MiB
 perl-generators                      noarch 1.16-7.fc42                     http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  21.8 KiB
 python3-devel                        x86_64 3.13.2-2.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.8 MiB
 python3-setuptools                   noarch 74.1.3-5.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   8.4 MiB
 rapidjson-devel                      x86_64 1.1.0-43.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 607.2 KiB
 ruby-devel                           x86_64 3.4.2-23.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.6 MiB
 swig                                 x86_64 4.3.0-5.fc43                    copr_base                                                       6.3 MiB
 wxGTK-devel                          x86_64 3.2.6-3.fc43                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  74.0 KiB
Installing dependencies:
 ImageMagick-libs                     x86_64 1:7.1.1.46-1.fc43               copr_base                                                       8.7 MiB
 LibRaw                               x86_64 0.21.3-2.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   2.3 MiB
 SDL3                                 x86_64 3.2.8-1.fc43                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   2.6 MiB
 abattis-cantarell-vf-fonts           noarch 0.301-14.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 192.7 KiB
 adobe-mappings-cmap                  noarch 20231115-2.fc42                 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  15.2 MiB
 adobe-mappings-cmap-deprecated       noarch 20231115-2.fc42                 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 582.1 KiB
 adobe-mappings-pdf                   noarch 20190401-9.fc42                 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   4.4 MiB
 adwaita-cursor-theme                 noarch 48.0-2.fc43                     http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  11.4 MiB
 adwaita-icon-theme                   noarch 48.0-2.fc43                     http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.2 MiB
 adwaita-icon-theme-legacy            noarch 46.2-3.fc42                     http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   2.1 MiB
 alsa-lib                             x86_64 1.2.13-4.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.4 MiB
 annobin-docs                         noarch 12.93-1.fc43                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  98.9 KiB
 annobin-plugin-gcc                   x86_64 12.93-1.fc43                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 993.4 KiB
 at-spi2-atk                          x86_64 2.56.0-1.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 275.6 KiB
 at-spi2-atk-devel                    x86_64 2.56.0-1.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.6 KiB
 at-spi2-core                         x86_64 2.56.0-1.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.5 MiB
 at-spi2-core-devel                   x86_64 2.56.0-1.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   4.3 MiB
 atk                                  x86_64 2.56.0-1.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 248.6 KiB
 atk-devel                            x86_64 2.56.0-1.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   5.9 MiB
 avahi-glib                           x86_64 0.9~rc2-3.fc43                  http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  19.6 KiB
 avahi-libs                           x86_64 0.9~rc2-3.fc43                  http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 171.6 KiB
 boost                                x86_64 1.83.0-12.fc42                  copr_base                                                       1.3 KiB
 boost-atomic                         x86_64 1.83.0-12.fc42                  copr_base                                                      20.9 KiB
 boost-chrono                         x86_64 1.83.0-12.fc42                  copr_base                                                      37.5 KiB
 boost-container                      x86_64 1.83.0-12.fc42                  copr_base                                                      65.4 KiB
 boost-context                        x86_64 1.83.0-12.fc42                  copr_base                                                      12.4 KiB
 boost-contract                       x86_64 1.83.0-12.fc42                  copr_base                                                      99.1 KiB
 boost-coroutine                      x86_64 1.83.0-12.fc42                  copr_base                                                      21.1 KiB
 boost-date-time                      x86_64 1.83.0-12.fc42                  copr_base                                                      12.2 KiB
 boost-fiber                          x86_64 1.83.0-12.fc42                  copr_base                                                      78.7 KiB
 boost-filesystem                     x86_64 1.83.0-12.fc42                  copr_base                                                     143.6 KiB
 boost-graph                          x86_64 1.83.0-12.fc42                  copr_base                                                     350.7 KiB
 boost-iostreams                      x86_64 1.83.0-12.fc42                  copr_base                                                      90.6 KiB
 boost-json                           x86_64 1.83.0-12.fc42                  copr_base                                                     333.1 KiB
 boost-locale                         x86_64 1.83.0-12.fc42                  copr_base                                                     613.8 KiB
 boost-log                            x86_64 1.83.0-12.fc42                  copr_base                                                       1.5 MiB
 boost-math                           x86_64 1.83.0-12.fc42                  copr_base                                                     642.6 KiB
 boost-nowide                         x86_64 1.83.0-12.fc42                  copr_base                                                      20.8 KiB
 boost-numpy3                         x86_64 1.83.0-12.fc42                  copr_base                                                      57.6 KiB
 boost-program-options                x86_64 1.83.0-12.fc42                  copr_base                                                     276.7 KiB
 boost-python3                        x86_64 1.83.0-12.fc42                  copr_base                                                     254.4 KiB
 boost-random                         x86_64 1.83.0-12.fc42                  copr_base                                                      29.6 KiB
 boost-regex                          x86_64 1.83.0-12.fc42                  copr_base                                                     287.3 KiB
 boost-serialization                  x86_64 1.83.0-12.fc42                  copr_base                                                     441.6 KiB
 boost-stacktrace                     x86_64 1.83.0-12.fc42                  copr_base                                                      55.8 KiB
 boost-system                         x86_64 1.83.0-12.fc42                  copr_base                                                      12.2 KiB
 boost-test                           x86_64 1.83.0-12.fc42                  copr_base                                                     634.8 KiB
 boost-thread                         x86_64 1.83.0-12.fc42                  copr_base                                                     132.7 KiB
 boost-timer                          x86_64 1.83.0-12.fc42                  copr_base                                                      21.0 KiB
 boost-type_erasure                   x86_64 1.83.0-12.fc42                  copr_base                                                      54.1 KiB
 boost-wave                           x86_64 1.83.0-12.fc42                  copr_base                                                     856.2 KiB
 brotli                               x86_64 1.1.0-6.fc42                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  31.6 KiB
 brotli-devel                         x86_64 1.1.0-6.fc42                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  65.6 KiB
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 perl-locale                          noarch 1.12-515.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   6.5 KiB
 perl-macros                          noarch 4:5.40.1-515.fc42               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   5.5 KiB
 perl-mro                             x86_64 1.29-515.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  41.5 KiB
 perl-overload                        noarch 1.37-515.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  71.5 KiB
 perl-overloading                     noarch 0.02-515.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   4.8 KiB
 perl-parent                          noarch 1:0.244-2.fc42                  http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  10.3 KiB
 perl-podlators                       noarch 1:6.0.2-3.fc42                  http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 317.5 KiB
 perl-vars                            noarch 1.05-515.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   3.9 KiB
 perl-version                         x86_64 9:0.99.33-2.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 128.7 KiB
 pixman                               x86_64 0.44.2-2.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 674.2 KiB
 pixman-devel                         x86_64 0.44.2-2.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  49.4 KiB
 pulseaudio-libs                      x86_64 17.0-6.fc43                     http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   3.4 MiB
 pyproject-rpm-macros                 noarch 1.18.1-1.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 114.5 KiB
 python-pip-wheel                     noarch 25.0.1-3.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.3 MiB
 python-rpm-macros                    noarch 3.13-5.fc43                     http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  22.1 KiB
 python3                              x86_64 3.13.2-2.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  27.6 KiB
 python3-libs                         x86_64 3.13.2-2.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  39.9 MiB
 python3-numpy                        x86_64 1:2.2.4-1.fc43                  http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  40.3 MiB
 python3-numpy-f2py                   x86_64 1:2.2.4-1.fc43                  http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   2.0 MiB
 python3-packaging                    noarch 24.2-3.fc42                     http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 555.7 KiB
 python3-pyparsing                    noarch 3.1.2-8.fc42                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 996.4 KiB
 python3-rpm-generators               noarch 14-12.fc42                      http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  81.7 KiB
 python3-rpm-macros                   noarch 3.13-5.fc43                     http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   6.4 KiB
 rav1e-libs                           x86_64 0.7.1-5.fc42                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   3.0 MiB
 rhash                                x86_64 1.4.5-2.fc42                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 351.0 KiB
 rsvg-pixbuf-loader                   x86_64 2.59.2-2.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 344.6 KiB
 ruby                                 x86_64 3.4.2-23.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  85.5 KiB
 ruby-default-gems                    noarch 3.4.2-23.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  65.8 KiB
 ruby-libs                            x86_64 3.4.2-23.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  14.9 MiB
 rubygem-io-console                   x86_64 0.8.0-23.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  33.2 KiB
 rubygem-psych                        x86_64 5.2.2-23.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 132.6 KiB
 rubygems                             noarch 3.6.2-23.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.4 MiB
 rubypick                             noarch 1.1.1-22.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   4.4 KiB
 sdl2-compat                          x86_64 2.32.52-1.fc43                  http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 389.4 KiB
 shared-mime-info                     x86_64 2.3-7.fc42                      http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   5.2 MiB
 spirv-tools-libs                     x86_64 2024.4-2.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   5.6 MiB
 svt-av1-libs                         x86_64 2.3.0-1.fc43                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   5.6 MiB
 sysprof-capture-devel                x86_64 48.0-1.fc43                     http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 273.8 KiB
 systemd-devel                        x86_64 257.4-3.fc43                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 610.6 KiB
 systemd-rpm-macros                   noarch 257.4-3.fc43                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   8.5 KiB
 systemtap-sdt-devel                  x86_64 5.3~pre17373816g7a71d34b-5.fc43 copr_base                                                     182.6 KiB
 systemtap-sdt-dtrace                 x86_64 5.3~pre17373816g7a71d34b-5.fc43 copr_base                                                     179.1 KiB
 tzdata                               noarch 2025a-1.fc43                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.6 MiB
 urw-base35-bookman-fonts             noarch 20200910-24.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.4 MiB
 urw-base35-c059-fonts                noarch 20200910-24.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.4 MiB
 urw-base35-d050000l-fonts            noarch 20200910-24.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  84.3 KiB
 urw-base35-fonts                     noarch 20200910-24.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   5.3 KiB
 urw-base35-fonts-common              noarch 20200910-24.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  37.4 KiB
 urw-base35-gothic-fonts              noarch 20200910-24.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.2 MiB
 urw-base35-nimbus-mono-ps-fonts      noarch 20200910-24.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.0 MiB
 urw-base35-nimbus-roman-fonts        noarch 20200910-24.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.4 MiB
 urw-base35-nimbus-sans-fonts         noarch 20200910-24.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   2.4 MiB
 urw-base35-p052-fonts                noarch 20200910-24.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.5 MiB
 urw-base35-standard-symbols-ps-fonts noarch 20200910-24.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  64.9 KiB
 urw-base35-z003-fonts                noarch 20200910-24.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 390.8 KiB
 vim-filesystem                       noarch 2:9.1.1227-1.fc43               http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  40.0   B
 vulkan-loader                        x86_64 1.4.304.0-2.fc42                http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 524.2 KiB
 wayland-devel                        x86_64 1.23.0-3.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 678.9 KiB
 webkit2gtk4.1                        x86_64 2.48.0-1.fc43                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  85.9 MiB
 woff2                                x86_64 1.0.2-22.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 125.6 KiB
 wxBase                               x86_64 3.2.6-3.fc43                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   2.9 MiB
 wxBase-devel                         x86_64 3.2.6-3.fc43                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   6.7 MiB
 wxGTK                                x86_64 3.2.6-3.fc43                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  16.4 MiB
 wxGTK-gl                             x86_64 3.2.6-3.fc43                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 102.6 KiB
 wxGTK-i18n                           noarch 3.2.6-3.fc43                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   2.8 MiB
 wxGTK-media                          x86_64 3.2.6-3.fc43                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  82.4 KiB
 wxGTK-webview                        x86_64 3.2.6-3.fc43                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 204.0 KiB
 xdg-dbus-proxy                       x86_64 0.1.6-2.fc42                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  94.5 KiB
 xkeyboard-config                     noarch 2.44-1.fc43                     http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   6.6 MiB
 xml-common                           noarch 0.6.3-66.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  78.4 KiB
 xorg-x11-proto-devel                 noarch 2024.1-4.fc42                   http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch   1.7 MiB
 xprop                                x86_64 1.2.8-3.fc42                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch  54.7 KiB
 xz-devel                             x86_64 1:5.8.0-1.fc43                  http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 258.8 KiB
 zlib-ng-compat-devel                 x86_64 2.2.4-2.fc43                    http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 107.0 KiB

Transaction Summary:
 Installing:       452 packages

Total size of inbound packages is 385 MiB. Need to download 385 MiB.
After this operation, 2 GiB extra will be used (install 2 GiB, remove 0 B).
[  1/452] ImageMagick-1:7.1.1.46-1.fc43 100% |   1.8 MiB/s |  72.9 KiB |  00m00s
[  2/452] desktop-file-utils-0:0.28-1.f 100% | 894.3 KiB/s |  68.9 KiB |  00m00s
[  3/452] boost-devel-0:1.83.0-12.fc42. 100% |  49.3 MiB/s |  11.7 MiB |  00m00s
[  4/452] dos2unix-0:7.5.2-3.fc42.x86_6 100% |   1.8 MiB/s | 294.3 KiB |  00m00s
[  5/452] eigen3-devel-0:3.4.0-17.fc42. 100% |  23.3 MiB/s |   1.1 MiB |  00m00s
[  6/452] inchi-devel-0:1.0.6-12.fc42.x 100% | 307.1 KiB/s |  24.6 KiB |  00m00s
[  7/452] cmake-0:3.31.6-2.fc43.x86_64  100% |  29.1 MiB/s |  12.1 MiB |  00m00s
[  8/452] libxml2-devel-0:2.12.10-1.fc4 100% |   9.3 MiB/s | 494.9 KiB |  00m00s
[  9/452] make-1:4.4.1-10.fc42.x86_64   100% |  16.2 MiB/s | 579.9 KiB |  00m00s
[ 10/452] perl-devel-4:5.40.1-515.fc42. 100% |  18.8 MiB/s | 749.3 KiB |  00m00s
[ 11/452] perl-generators-0:1.16-7.fc42 100% | 905.1 KiB/s |  16.3 KiB |  00m00s
[ 12/452] python3-devel-0:3.13.2-2.fc43 100% |  15.9 MiB/s | 358.8 KiB |  00m00s
[ 13/452] rapidjson-devel-0:1.1.0-43.fc 100% |   4.1 MiB/s | 109.9 KiB |  00m00s
[ 14/452] python3-setuptools-0:74.1.3-5 100% |  35.6 MiB/s |   1.8 MiB |  00m00s
[ 15/452] ruby-devel-0:3.4.2-23.fc43.x8 100% |  10.1 MiB/s | 290.7 KiB |  00m00s
[ 16/452] swig-0:4.3.0-5.fc43.x86_64    100% |  56.0 MiB/s |   1.6 MiB |  00m00s
[ 17/452] wxGTK-devel-0:3.2.6-3.fc43.x8 100% |   1.5 MiB/s |  33.1 KiB |  00m00s
[ 18/452] cmake-filesystem-0:3.31.6-2.f 100% | 868.6 KiB/s |  17.4 KiB |  00m00s
[ 19/452] jsoncpp-0:1.9.6-1.fc43.x86_64 100% |   5.0 MiB/s | 101.6 KiB |  00m00s
[ 20/452] cmake-data-0:3.31.6-2.fc43.no 100% |  35.7 MiB/s |   1.9 MiB |  00m00s
[ 21/452] libstdc++-devel-0:15.0.1-0.10 100% |  41.4 MiB/s |   2.7 MiB |  00m00s
[ 22/452] inchi-libs-0:1.0.6-12.fc42.x8 100% |  22.4 MiB/s | 689.5 KiB |  00m00s
[ 23/452] perl-libs-4:5.40.1-515.fc42.x 100% |  42.3 MiB/s |   2.2 MiB |  00m00s
[ 24/452] python3-0:3.13.2-2.fc43.x86_6 100% |   1.4 MiB/s |  28.4 KiB |  00m00s
[ 25/452] python3-libs-0:3.13.2-2.fc43. 100% |  55.4 MiB/s |   8.9 MiB |  00m00s
[ 26/452] ruby-0:3.4.2-23.fc43.x86_64   100% |   1.7 MiB/s |  39.4 KiB |  00m00s
[ 27/452] ruby-libs-0:3.4.2-23.fc43.x86 100% |  49.9 MiB/s |   4.1 MiB |  00m00s
[ 28/452] wxBase-0:3.2.6-3.fc43.x86_64  100% |  29.3 MiB/s |   1.0 MiB |  00m00s
[ 29/452] wxBase-devel-0:3.2.6-3.fc43.x 100% |  24.1 MiB/s |   1.2 MiB |  00m00s
[ 30/452] wxGTK-0:3.2.6-3.fc43.x86_64   100% |  39.1 MiB/s |   4.9 MiB |  00m00s
[ 31/452] wxGTK-gl-0:3.2.6-3.fc43.x86_6 100% |   1.8 MiB/s |  39.9 KiB |  00m00s
[ 32/452] wxGTK-media-0:3.2.6-3.fc43.x8 100% |   2.1 MiB/s |  38.0 KiB |  00m00s
[ 33/452] wxGTK-webview-0:3.2.6-3.fc43. 100% |   4.2 MiB/s |  76.5 KiB |  00m00s
[ 34/452] cpp-0:15.0.1-0.10.fc43.x86_64 100% |  50.9 MiB/s |  12.8 MiB |  00m00s
[ 35/452] mpdecimal-0:4.0.0-2.fc43.x86_ 100% |   4.3 MiB/s |  97.0 KiB |  00m00s
[ 36/452] wxGTK-i18n-0:3.2.6-3.fc43.noa 100% |  20.5 MiB/s | 483.8 KiB |  00m00s
[ 37/452] gcc-0:15.0.1-0.10.fc43.x86_64 100% |  37.0 MiB/s |  39.2 MiB |  00m01s
[ 38/452] libquadmath-devel-0:15.0.1-0. 100% | 625.6 KiB/s |  33.2 KiB |  00m00s
[ 39/452] libquadmath-0:15.0.1-0.10.fc4 100% |   8.1 MiB/s | 190.7 KiB |  00m00s
[ 40/452] perl-interpreter-4:5.40.1-515 100% |   2.0 MiB/s |  72.2 KiB |  00m00s
[ 41/452] glib2-0:2.84.0-1.fc43.x86_64  100% |  32.2 MiB/s |   3.0 MiB |  00m00s
[ 42/452] javascriptcoregtk4.1-0:2.48.0 100% |  44.1 MiB/s |   8.0 MiB |  00m00s
[ 43/452] gcc-c++-0:15.0.1-0.10.fc43.x8 100% |   8.7 MiB/s |  15.1 MiB |  00m02s
[ 44/452] libicu-0:76.1-4.fc42.x86_64   100% |  36.5 MiB/s |  10.7 MiB |  00m00s
[ 45/452] libicu-devel-0:76.1-4.fc42.x8 100% |   9.5 MiB/s | 752.4 KiB |  00m00s
[ 46/452] libtinysparql-0:3.9.1-2.fc43. 100% |   9.1 MiB/s | 373.2 KiB |  00m00s
[ 47/452] gtk3-0:3.24.49-2.fc43.x86_64  100% |  41.1 MiB/s |   5.8 MiB |  00m00s
[ 48/452] glib2-devel-0:2.84.0-1.fc43.x 100% |  24.1 MiB/s |   1.4 MiB |  00m00s
[ 49/452] cairo-0:1.18.2-3.fc42.x86_64  100% |  20.4 MiB/s | 731.8 KiB |  00m00s
[ 50/452] cairo-gobject-0:1.18.2-3.fc42 100% | 962.3 KiB/s |  17.3 KiB |  00m00s
[ 51/452] cairo-devel-0:1.18.2-3.fc42.x 100% |   8.2 MiB/s | 175.9 KiB |  00m00s
[ 52/452] cairo-gobject-devel-0:1.18.2- 100% | 706.2 KiB/s |  11.3 KiB |  00m00s
[ 53/452] gtk3-devel-0:3.24.49-2.fc43.x 100% |  16.1 MiB/s |   4.2 MiB |  00m00s
[ 54/452] gstreamer1-0:1.26.0-1.fc43.x8 100% |  27.8 MiB/s |   1.6 MiB |  00m00s
[ 55/452] webkit2gtk4.1-0:2.48.0-1.fc43 100% |  42.2 MiB/s |  25.9 MiB |  00m01s
[ 56/452] gstreamer1-plugins-bad-free-l 100% |  11.3 MiB/s |   1.0 MiB |  00m00s
[ 57/452] libX11-0:1.8.11-1.fc42.x86_64 100% |  11.0 MiB/s | 655.3 KiB |  00m00s
[ 58/452] libX11-common-0:1.8.11-1.fc42 100% |   7.5 MiB/s | 145.1 KiB |  00m00s
[ 59/452] libX11-xcb-0:1.8.11-1.fc42.x8 100% | 432.6 KiB/s |  11.7 KiB |  00m00s
[ 60/452] libglvnd-glx-1:1.7.0-7.fc42.x 100% |   6.2 MiB/s | 133.1 KiB |  00m00s
[ 61/452] libglvnd-1:1.7.0-7.fc42.x86_6 100% |   4.9 MiB/s | 114.4 KiB |  00m00s
[ 62/452] libX11-devel-0:1.8.11-1.fc42. 100% |  15.1 MiB/s | 911.0 KiB |  00m00s
[ 63/452] libglvnd-gles-1:1.7.0-7.fc42. 100% |   1.3 MiB/s |  28.6 KiB |  00m00s
[ 64/452] mesa-libGLU-devel-0:9.0.3-6.f 100% | 757.8 KiB/s |  12.1 KiB |  00m00s
[ 65/452] libglvnd-devel-1:1.7.0-7.fc42 100% |   7.3 MiB/s | 157.0 KiB |  00m00s
[ 66/452] mesa-libGLU-0:9.0.3-6.fc42.x8 100% |   7.4 MiB/s | 167.1 KiB |  00m00s
[ 67/452] libglvnd-egl-1:1.7.0-7.fc42.x 100% |   1.5 MiB/s |  36.3 KiB |  00m00s
[ 68/452] libglvnd-core-devel-1:1.7.0-7 100% | 965.5 KiB/s |  17.4 KiB |  00m00s
[ 69/452] libglvnd-opengl-1:1.7.0-7.fc4 100% |   1.5 MiB/s |  37.4 KiB |  00m00s
[ 70/452] sdl2-compat-0:2.32.52-1.fc43. 100% |   6.0 MiB/s | 129.6 KiB |  00m00s
[ 71/452] libSM-0:1.2.5-2.fc42.x86_64   100% |   2.0 MiB/s |  44.4 KiB |  00m00s
[ 72/452] fontconfig-0:2.16.1-1.fc43.x8 100% |  10.0 MiB/s | 256.8 KiB |  00m00s
[ 73/452] SDL3-0:3.2.8-1.fc43.x86_64    100% |  24.8 MiB/s |   1.0 MiB |  00m00s
[ 74/452] fontconfig-devel-0:2.16.1-1.f 100% |   5.8 MiB/s | 130.1 KiB |  00m00s
[ 75/452] gdk-pixbuf2-modules-0:2.42.12 100% |   1.2 MiB/s |  27.9 KiB |  00m00s
[ 76/452] gdk-pixbuf2-0:2.42.12-10.fc42 100% |  16.4 MiB/s | 471.5 KiB |  00m00s
[ 77/452] gdk-pixbuf2-devel-0:2.42.12-1 100% |  12.4 MiB/s | 330.3 KiB |  00m00s
[ 78/452] libXtst-0:1.2.5-2.fc42.x86_64 100% |   1.1 MiB/s |  20.7 KiB |  00m00s
[ 79/452] libjpeg-turbo-devel-0:3.1.0-2 100% |   5.3 MiB/s |  97.6 KiB |  00m00s
[ 80/452] libjpeg-turbo-0:3.1.0-2.fc42. 100% |   7.2 MiB/s | 236.2 KiB |  00m00s
[ 81/452] libmspack-0:0.10.1-0.14.alpha 100% |   3.5 MiB/s |  71.3 KiB |  00m00s
[ 82/452] libpng-2:1.6.47-1.fc43.x86_64 100% |   5.2 MiB/s | 122.4 KiB |  00m00s
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[413/452] adobe-mappings-cmap-deprecate 100% |   5.1 MiB/s | 110.5 KiB |  00m00s
[414/452] adobe-mappings-pdf-0:20190401 100% |  20.8 MiB/s | 616.8 KiB |  00m00s
[415/452] adobe-mappings-cmap-0:2023111 100% |  40.3 MiB/s |   2.2 MiB |  00m00s
[416/452] libijs-0:0.35-24.fc42.x86_64  100% |   1.6 MiB/s |  29.4 KiB |  00m00s
[417/452] jbig2dec-libs-0:0.20-6.fc42.x 100% |   3.2 MiB/s |  74.4 KiB |  00m00s
[418/452] libpaper-1:2.1.1-8.fc42.x86_6 100% |   1.4 MiB/s |  26.9 KiB |  00m00s
[419/452] urw-base35-fonts-0:20200910-2 100% | 559.7 KiB/s |  10.1 KiB |  00m00s
[420/452] urw-base35-z003-fonts-0:20200 100% |  14.2 MiB/s | 275.5 KiB |  00m00s
[421/452] urw-base35-fonts-common-0:202 100% | 992.0 KiB/s |  20.8 KiB |  00m00s
[422/452] urw-base35-standard-symbols-p 100% |   2.4 MiB/s |  58.3 KiB |  00m00s
[423/452] urw-base35-p052-fonts-0:20200 100% |  28.0 MiB/s | 973.2 KiB |  00m00s
[424/452] google-droid-sans-fonts-0:202 100% |  22.0 MiB/s |   2.7 MiB |  00m00s
[425/452] urw-base35-nimbus-sans-fonts- 100% |  23.2 MiB/s |   1.3 MiB |  00m00s
[426/452] urw-base35-nimbus-mono-ps-fon 100% |  24.3 MiB/s | 794.7 KiB |  00m00s
[427/452] urw-base35-nimbus-roman-fonts 100% |  16.7 MiB/s | 856.1 KiB |  00m00s
[428/452] urw-base35-d050000l-fonts-0:2 100% |   4.1 MiB/s |  75.8 KiB |  00m00s
[429/452] urw-base35-c059-fonts-0:20200 100% |  26.7 MiB/s | 874.0 KiB |  00m00s
[430/452] urw-base35-gothic-fonts-0:202 100% |  13.3 MiB/s | 642.5 KiB |  00m00s
[431/452] urw-base35-bookman-fonts-0:20 100% |  19.7 MiB/s | 846.9 KiB |  00m00s
[432/452] jasper-libs-0:4.2.3-3.fc42.x8 100% |   6.4 MiB/s | 164.8 KiB |  00m00s
[433/452] libdeflate-0:1.23-2.fc42.x86_ 100% |   3.0 MiB/s |  69.7 KiB |  00m00s
[434/452] flexiblas-0:3.4.5-1.fc43.x86_ 100% |   2.9 MiB/s |  26.8 KiB |  00m00s
[435/452] flexiblas-openblas-openmp-0:3 100% |   1.9 MiB/s |  17.8 KiB |  00m00s
[436/452] perl-MIME-Base32-0:1.303-23.f 100% | 854.8 KiB/s |  20.5 KiB |  00m00s
[437/452] perl-libnet-0:3.15-513.fc42.n 100% |   6.0 MiB/s | 122.9 KiB |  00m00s
[438/452] libgfortran-0:15.0.1-0.10.fc4 100% |  17.5 MiB/s | 947.8 KiB |  00m00s
[439/452] openblas-0:0.3.29-1.fc42.x86_ 100% |   2.3 MiB/s |  42.3 KiB |  00m00s
[440/452] perl-FileHandle-0:2.05-515.fc 100% | 815.6 KiB/s |  15.5 KiB |  00m00s
[441/452] perl-Digest-MD5-0:2.59-6.fc42 100% |   1.7 MiB/s |  36.0 KiB |  00m00s
[442/452] perl-Digest-0:1.20-512.fc42.n 100% |   1.2 MiB/s |  24.9 KiB |  00m00s
[443/452] gcc-plugin-annobin-0:15.0.1-0 100% |   2.4 MiB/s |  44.5 KiB |  00m00s
[444/452] systemd-rpm-macros-0:257.4-3. 100% |   1.5 MiB/s |  34.7 KiB |  00m00s
[445/452] pyproject-rpm-macros-0:1.18.1 100% |   2.6 MiB/s |  44.9 KiB |  00m00s
[446/452] python-rpm-macros-0:3.13-5.fc 100% | 986.4 KiB/s |  16.8 KiB |  00m00s
[447/452] python3-rpm-macros-0:3.13-5.f 100% | 524.6 KiB/s |  11.5 KiB |  00m00s
[448/452] openblas-openmp-0:0.3.29-1.fc 100% |  44.8 MiB/s |   5.4 MiB |  00m00s
[449/452] cmake-rpm-macros-0:3.31.6-2.f 100% | 694.9 KiB/s |  16.7 KiB |  00m00s
[450/452] python3-rpm-generators-0:14-1 100% |   1.5 MiB/s |  29.2 KiB |  00m00s
[451/452] annobin-docs-0:12.93-1.fc43.n 100% |   4.7 MiB/s |  92.0 KiB |  00m00s
[452/452] annobin-plugin-gcc-0:12.93-1. 100% |  18.8 MiB/s | 983.3 KiB |  00m00s
--------------------------------------------------------------------------------
[452/452] Total                         100% |  55.8 MiB/s | 384.6 MiB |  00m07s
Running transaction
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[ 14/454] Installing libX11-xcb-0:1.8.1 100% |   0.0   B/s |  11.8 KiB |  00m00s
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[ 19/454] Installing lcms2-0:2.16-5.fc4 100% | 143.0 MiB/s | 439.3 KiB |  00m00s
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[ 27/454] Installing libwebp-0:1.5.0-2. 100% | 185.9 MiB/s | 951.8 KiB |  00m00s
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[ 29/454] Installing boost-regex-0:1.83 100% | 140.8 MiB/s | 288.3 KiB |  00m00s
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[ 33/454] Installing boost-filesystem-0 100% | 141.2 MiB/s | 144.6 KiB |  00m00s
[ 34/454] Installing dbus-1:1.16.0-3.fc 100% |   8.6 KiB/s | 124.0   B |  00m00s
[ 35/454] Installing xml-common-0:0.6.3 100% |  39.6 MiB/s |  81.1 KiB |  00m00s
[ 36/454] Installing libmpc-0:1.3.1-7.f 100% |  81.1 MiB/s | 166.1 KiB |  00m00s
[ 37/454] Installing libICE-0:1.1.2-2.f 100% |  97.6 MiB/s | 199.8 KiB |  00m00s
[ 38/454] Installing libSM-0:1.2.5-2.fc 100% | 103.9 MiB/s | 106.4 KiB |  00m00s
[ 39/454] Installing libwayland-egl-0:1 100% |  13.2 MiB/s |  13.6 KiB |  00m00s
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[ 42/454] Installing ruby-0:3.4.2-23.fc 100% |   5.7 MiB/s |  87.1 KiB |  00m00s
[ 43/454] Installing rubypick-0:1.1.1-2 100% | 393.9 KiB/s |   5.1 KiB |  00m00s
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[ 51/454] Installing openjpeg-0:2.5.3-6 100% | 147.7 MiB/s | 453.8 KiB |  00m00s
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[ 54/454] Installing pixman-0:0.44.2-2. 100% | 219.8 MiB/s | 675.3 KiB |  00m00s
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[ 56/454] Installing emacs-filesystem-1 100% |   0.0   B/s | 544.0   B |  00m00s
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[ 62/454] Installing libusb1-0:1.0.28-2 100% |  84.3 MiB/s | 172.7 KiB |  00m00s
[ 63/454] Installing libdatrie-0:0.2.13 100% |  57.6 MiB/s |  58.9 KiB |  00m00s
[ 64/454] Installing libthai-0:0.1.29-1 100% | 191.7 MiB/s | 785.2 KiB |  00m00s
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[ 68/454] Installing libXau-0:1.0.12-2. 100% |  76.6 MiB/s |  78.5 KiB |  00m00s
[ 69/454] Installing libxcb-0:1.17.0-5. 100% | 135.1 MiB/s |   1.1 MiB |  00m00s
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[ 73/454] Installing libquadmath-0:15.0 100% | 155.8 MiB/s | 319.2 KiB |  00m00s
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Warning: skipped OpenPGP checks for 452 packages from repositories: copr_base, http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch
Complete!
Finish: build setup for openbabel-3.1.1-33.fc43.src.rpm
Start: rpmbuild openbabel-3.1.1-33.fc43.src.rpm
Building target platforms: x86_64
Building for target x86_64
setting SOURCE_DATE_EPOCH=1742515200
Executing(%mkbuilddir): /bin/sh -e /var/tmp/rpm-tmp.RjshJp
Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.d9BWEj
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ rm -rf openbabel-openbabel-3-1-1
+ /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/openbabel-openbabel-3-1-1.tar.gz
+ STATUS=0
+ '[' 0 -ne 0 ']'
+ cd openbabel-openbabel-3-1-1
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w .
Patch #0 (openbabel-perl.patch):
+ echo 'Patch #0 (openbabel-perl.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .perl_path --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 367 (offset 31 lines).
Patch #1 (openbabel-plugindir.patch):
+ echo 'Patch #1 (openbabel-plugindir.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .plugindir --fuzz=0
patching file CMakeLists.txt
patching file OpenBabel3Config.cmake.in
Patch #2 (openbabel-noswig-rubymethod.patch):
+ echo 'Patch #2 (openbabel-noswig-rubymethod.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .noswig_ruby --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 416 (offset 42 lines).
Patch #3 (openbabel-ruby19-vendorarch.patch):
+ echo 'Patch #3 (openbabel-ruby19-vendorarch.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .ruby_vendor --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 447 (offset 47 lines).
Patch #5 (openbabel-fix-libdir-in-pkgconfig.patch):
+ echo 'Patch #5 (openbabel-fix-libdir-in-pkgconfig.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .s390x --fuzz=0
patching file openbabel-3.pc.cmake
Patch #7 (openbabel-3.1.1-fix_bug2223.patch):
+ echo 'Patch #7 (openbabel-3.1.1-fix_bug2223.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file src/forcefields/forcefielduff.cpp
Patch #8 (openbabel-3.1.1-fix_bug2217.patch):
+ echo 'Patch #8 (openbabel-3.1.1-fix_bug2217.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file test/testdistgeom.py
Patch #9 (openbabel-3.1.1-bug2378.patch):
+ echo 'Patch #9 (openbabel-3.1.1-bug2378.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file scripts/CMakeLists.txt
Hunk #1 succeeded at 102 (offset -4 lines).
Patch #10 (openbabel-3.1.1-bug2493.patch):
+ echo 'Patch #10 (openbabel-3.1.1-bug2493.patch):'
+ /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .backup --fuzz=0
patching file src/config.h.cmake
+ rm -rf src/formats/libinchi
+ dos2unix -k data/chemdrawcdx.h include/openbabel/tautomer.h include/openbabel/math/align.h src/math/align.cpp test/testsmartssym.py
dos2unix: converting file data/chemdrawcdx.h to Unix format...
dos2unix: converting file include/openbabel/tautomer.h to Unix format...
dos2unix: converting file include/openbabel/math/align.h to Unix format...
dos2unix: converting file src/math/align.cpp to Unix format...
dos2unix: converting file test/testsmartssym.py to Unix format...
+ convert src/GUI/babel.xpm -transparent white babel.png
WARNING: The convert command is deprecated in IMv7, use "magick" instead of "convert" or "magick convert"

+ pushd doc
~/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc ~/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1
+ for man in *.1
++ basename obabel.1 .1
+ html=obabel.html
+ '[' -f obabel.html ']'
+ rm obabel.html
+ for man in *.1
++ basename obchiral.1 .1
+ html=obchiral.html
+ '[' -f obchiral.html ']'
+ rm obchiral.html
+ for man in *.1
++ basename obconformer.1 .1
+ html=obconformer.html
+ '[' -f obconformer.html ']'
+ rm obconformer.html
+ for man in *.1
++ basename obdistgen.1 .1
+ html=obdistgen.html
+ '[' -f obdistgen.html ']'
+ for man in *.1
++ basename obenergy.1 .1
+ html=obenergy.html
+ '[' -f obenergy.html ']'
+ rm obenergy.html
+ for man in *.1
++ basename obfit.1 .1
+ html=obfit.html
+ '[' -f obfit.html ']'
+ rm obfit.html
+ for man in *.1
++ basename obgen.1 .1
+ html=obgen.html
+ '[' -f obgen.html ']'
+ rm obgen.html
+ for man in *.1
++ basename obgrep.1 .1
+ html=obgrep.html
+ '[' -f obgrep.html ']'
+ rm obgrep.html
+ for man in *.1
++ basename obgui.1 .1
+ html=obgui.html
+ '[' -f obgui.html ']'
+ rm obgui.html
+ for man in *.1
++ basename obminimize.1 .1
+ html=obminimize.html
+ '[' -f obminimize.html ']'
+ rm obminimize.html
+ for man in *.1
++ basename obprobe.1 .1
+ html=obprobe.html
+ '[' -f obprobe.html ']'
+ rm obprobe.html
+ for man in *.1
++ basename obprop.1 .1
+ html=obprop.html
+ '[' -f obprop.html ']'
+ rm obprop.html
+ for man in *.1
++ basename obrms.1 .1
+ html=obrms.html
+ '[' -f obrms.html ']'
+ for man in *.1
++ basename obrotamer.1 .1
+ html=obrotamer.html
+ '[' -f obrotamer.html ']'
+ rm obrotamer.html
+ for man in *.1
++ basename obrotate.1 .1
+ html=obrotate.html
+ '[' -f obrotate.html ']'
+ rm obrotate.html
+ for man in *.1
++ basename obspectrophore.1 .1
+ html=obspectrophore.html
+ '[' -f obspectrophore.html ']'
+ rm obspectrophore.html
+ for man in *.1
++ basename obsym.1 .1
+ html=obsym.html
+ '[' -f obsym.html ']'
+ for man in *.1
++ basename obtautomer.1 .1
+ html=obtautomer.html
+ '[' -f obtautomer.html ']'
+ for man in *.1
++ basename obthermo.1 .1
+ html=obthermo.html
+ '[' -f obthermo.html ']'
+ for man in *.1
++ basename roundtrip.1 .1
+ html=roundtrip.html
+ '[' -f roundtrip.html ']'
~/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1
+ popd
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.o0SQcZ
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd openbabel-openbabel-3-1-1
+ mkdir -p x86_64-redhat-linux-gnu
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ /usr/bin/cmake -S . -B redhat-linux-build -DCMAKE_C_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_CXX_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_Fortran_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_VERBOSE_MAKEFILE:BOOL=ON -DCMAKE_INSTALL_DO_STRIP:BOOL=OFF -DCMAKE_INSTALL_PREFIX:PATH=/usr -DCMAKE_INSTALL_FULL_SBINDIR:PATH=/usr/bin -DCMAKE_INSTALL_SBINDIR:PATH=bin -DINCLUDE_INSTALL_DIR:PATH=/usr/include -DLIB_INSTALL_DIR:PATH=/usr/lib64 -DSYSCONF_INSTALL_DIR:PATH=/etc -DSHARE_INSTALL_PREFIX:PATH=/usr/share -DLIB_SUFFIX=64 -DBUILD_SHARED_LIBS:BOOL=ON -B x86_64-redhat-linux-gnu -Wno-dev -DCMAKE_SKIP_RPATH:BOOL=ON -DBUILD_GUI:BOOL=ON -DPYTHON_BINDINGS:BOOL=ON -DPYTHON_EXECUTABLE=/usr/bin/python3 -DPERL_BINDINGS:BOOL=ON -DRUBY_BINDINGS:BOOL=ON -DWITH_MAEPARSER:BOOL=OFF -DWITH_COORDGEN:BOOL=OFF -DOB_PLUGIN_INSTALL_DIR:PATH=lib64/openbabel3 -DOPENBABEL_USE_SYSTEM_INCHI=true -DINCHI_INCLUDE_DIR:PATH=/usr/include/inchi -DINCHI_LIBRARY:FILEPATH=/usr/lib64/libinchi.so -DENABLE_VERSIONED_FORMATS=false -DRUN_SWIG=true -DENABLE_TESTS:BOOL=ON -DOPTIMIZE_NATIVE=OFF -DGLIBC_24_COMPATIBLE:BOOL=OFF
-- The C compiler identification is GNU 15.0.1
-- The CXX compiler identification is GNU 15.0.1
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working C compiler: /usr/bin/gcc - skipped
-- Detecting C compile features
-- Detecting C compile features - done
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: /usr/bin/g++ - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Found LibXml2: /usr/lib64/libxml2.so (found version "2.12.10")
-- Found ZLIB: /usr/lib64/libz.so (found version "1.3.1")
-- Found wxWidgets: -pthread;;;-lwx_baseu-3.2;-lwx_gtk3u_core-3.2 (found version "3.2.6")
-- Looking for conio.h
-- Looking for conio.h - not found
-- Looking for sys/time.h
-- Looking for sys/time.h - found
-- Looking for time.h
-- Looking for time.h - found
-- Looking for strings.h
-- Looking for strings.h - found
-- Looking for rpc/xdr.h
-- Looking for rpc/xdr.h - not found
-- Looking for regex.h
-- Looking for regex.h - found
-- Looking for C++ include sstream
-- Looking for C++ include sstream - found
-- Looking for rint
-- Looking for rint - not found
-- Looking for snprintf
-- Looking for snprintf - found
-- Looking for sranddev
-- Looking for sranddev - not found
-- Looking for strcasecmp
-- Looking for strcasecmp - found
-- Looking for strncasecmp
-- Looking for strncasecmp - found
-- Looking for dlopen in dl
-- Looking for dlopen in dl - found
-- Looking for sys/types.h
-- Looking for sys/types.h - found
-- Looking for stdint.h
-- Looking for stdint.h - found
-- Looking for stddef.h
-- Looking for stddef.h - found
-- Check size of clock_t
-- Check size of clock_t - done
-- Performing Test SCANDIR_NEEDS_CONST
-- Performing Test SCANDIR_NEEDS_CONST - Failed
-- Performing Test HAVE_GCC_VISIBILITY
-- Performing Test HAVE_GCC_VISIBILITY - Success
-- Checking available shared pointer...
-- Performing Test HAVE_STD_SHARED_PTR
-- Performing Test HAVE_STD_SHARED_PTR - Success
-- Performing Test HAVE_STD_TR1_SHARED_PTR
-- Performing Test HAVE_STD_TR1_SHARED_PTR - Failed
-- Performing Test HAVE_STD_TR1_SHARED_PTR_IN_TR1_HEADER
-- Performing Test HAVE_STD_TR1_SHARED_PTR_IN_TR1_HEADER - Success
-- Use std::shared_ptr in memory
-- Found Boost: /usr/lib64/cmake/Boost-1.83.0/BoostConfig.cmake (found version "1.83.0") found components: program_options iostreams
-- Found Eigen3: /usr/include/eigen3 (Required is at least version "2.91.0")
-- Found Boost: /usr/lib64/cmake/Boost-1.83.0/BoostConfig.cmake (found version "1.83.0") found components: filesystem iostreams unit_test_framework
-- Maestro formats will NOT be supported. Please install Boost to enable Maestro formats.
-- Coordinate generation with Coordgen will NOT be supported. Please install Boost to enable Maestro formats.
-- Found PkgConfig: /usr/bin/pkg-config (found version "2.3.0")
-- Found RapidJSON: /usr/include (found suitable version "1.1.0", minimum required is "1.1.0")
-- JSON formats will be supported. Using RapidJSON 1.1.0 at /usr/include
-- Checking for module 'cairo'
--   Found cairo, version 1.18.2
-- Found Cairo: /usr/lib64/libcairo.so
-- Cairo found. PNG output will be supported.
-- Found Boost: /usr/lib64/cmake/Boost-1.83.0/BoostConfig.cmake (found suitable version "1.83.0", minimum required is "1.45.0") found components: system
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success
-- Found Threads: TRUE
-- Found Boost: /usr/lib64/cmake/Boost-1.83.0/BoostConfig.cmake (found version "1.83.0") found components: program_options iostreams
-- Looking for getopt
-- Looking for getopt - found
-- Attempting to build the GUI
--    wxWidgets found => GUI will be built
-- Found PythonInterp: /usr/bin/python3 (found version "3.13.2")
-- Found SWIG: /usr/bin/swig (found version "4.3.0")
-- Found SWIG: /usr/bin/swig (found suitable version "4.3.0", minimum required is "2.0")
-- Found PythonLibs: /usr/lib64/libpython3.13.so (found version "3.13.2")
-- Python bindings will be compiled
-- Found Perl: /usr/bin/perl (found version "5.40.1")
-- Found PerlLibs: /usr/lib64/libperl.so (found version "5.40.1")
-- Perl bindings will be compiled
-- Found Ruby: /usr/bin/ruby (found suitable version "3.4.2", minimum required is "1.8.0")
-- Ruby bindings will be compiled
-- Configuring done (6.9s)
-- Generating done (0.3s)
CMake Warning:
  Manually-specified variables were not used by the project:

    CMAKE_C_FLAGS_RELEASE
    CMAKE_Fortran_FLAGS_RELEASE
    CMAKE_INSTALL_DO_STRIP
    INCLUDE_INSTALL_DIR
    SHARE_INSTALL_PREFIX
    SYSCONF_INSTALL_DIR


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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/alias.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/alias.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/bitvec.cpp.o -MF CMakeFiles/openbabel.dir/bitvec.cpp.o.d -o CMakeFiles/openbabel.dir/bitvec.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/bitvec.cpp
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[  1%] Building CXX object src/CMakeFiles/openbabel.dir/bond.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/bond.cpp.o -MF CMakeFiles/openbabel.dir/bond.cpp.o.d -o CMakeFiles/openbabel.dir/bond.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/bond.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/bondtyper.cpp.o -MF CMakeFiles/openbabel.dir/bondtyper.cpp.o.d -o CMakeFiles/openbabel.dir/bondtyper.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/bondtyper.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/builder.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/builder.cpp.o -MF CMakeFiles/openbabel.dir/builder.cpp.o.d -o CMakeFiles/openbabel.dir/builder.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/builder.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/builder.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/builder.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/builder.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/canon.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/canon.cpp.o -MF CMakeFiles/openbabel.dir/canon.cpp.o.d -o CMakeFiles/openbabel.dir/canon.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/canon.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/chargemodel.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/chargemodel.cpp.o -MF CMakeFiles/openbabel.dir/chargemodel.cpp.o.d -o CMakeFiles/openbabel.dir/chargemodel.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/chargemodel.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/chargemodel.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[  1%] Building CXX object src/CMakeFiles/openbabel.dir/chains.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/chains.cpp.o -MF CMakeFiles/openbabel.dir/chains.cpp.o.d -o CMakeFiles/openbabel.dir/chains.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/chains.cpp
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[  2%] Building CXX object src/CMakeFiles/openbabel.dir/data_utilities.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/data_utilities.cpp.o -MF CMakeFiles/openbabel.dir/data_utilities.cpp.o.d -o CMakeFiles/openbabel.dir/data_utilities.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/data_utilities.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/data.cpp.o -MF CMakeFiles/openbabel.dir/data.cpp.o.d -o CMakeFiles/openbabel.dir/data.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/data.cpp
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/descriptor.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/descriptor.cpp.o -MF CMakeFiles/openbabel.dir/descriptor.cpp.o.d -o CMakeFiles/openbabel.dir/descriptor.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptor.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptor.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptor.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/elements.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/elements.cpp.o -MF CMakeFiles/openbabel.dir/elements.cpp.o.d -o CMakeFiles/openbabel.dir/elements.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/elements.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/fingerprint.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/fingerprint.cpp.o -MF CMakeFiles/openbabel.dir/fingerprint.cpp.o.d -o CMakeFiles/openbabel.dir/fingerprint.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprint.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprint.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprint.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/format.cpp.o -MF CMakeFiles/openbabel.dir/format.cpp.o.d -o CMakeFiles/openbabel.dir/format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/format.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/generic.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/generic.cpp.o -MF CMakeFiles/openbabel.dir/generic.cpp.o.d -o CMakeFiles/openbabel.dir/generic.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/generic.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/forcefield.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/forcefield.cpp.o -MF CMakeFiles/openbabel.dir/forcefield.cpp.o.d -o CMakeFiles/openbabel.dir/forcefield.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_tree.h:67,
                 from /usr/include/c++/15/set:64,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:55:18: warning: ‘virtual void OpenBabel::OBGrid::Init(OpenBabel::OBMol&)’ was hidden [-Woverloaded-virtual=]
   55 |     virtual void Init(OBMol &box);
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:123:10: note:   by ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’
  123 |     void Init(OBMol &box,double spacing, double pad=0.0);
      |          ^~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:74:12: note:   by ‘double OpenBabel::OBGridData::GetValue(int, int, int) const’
   74 |     double GetValue(int i, int j, int k) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In static member function ‘static bool OpenBabel::OBForceField::IgnoreCalculation(int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:391:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  391 |     if (_ignoreAtom == a)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:393:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  393 |     if (_ignoreAtom == b)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In static member function ‘static bool OpenBabel::OBForceField::IgnoreCalculation(int, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:403:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  403 |     if (_ignoreAtom == b)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In static member function ‘static bool OpenBabel::OBForceField::IgnoreCalculation(int, int, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:413:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  413 |     if (_ignoreAtom == d)
      |         ~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintType(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:665:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  665 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘double OpenBabel::OBFFConstraints::GetConstraintValue(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:673:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  673 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomA(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:681:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  681 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomB(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:689:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  689 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomC(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:697:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  697 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBFFConstraints::GetConstraintAtomD(int) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:705:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFConstraint>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  705 |     if (index >= _constraints.size())
      |         ~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘int OpenBabel::OBForceField::FastRotorSearch(bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1353:34: warning: array subscript has type ‘char’ [-Wchar-subscripts]
 1353 |     num_permutations = factorial[num_rotors_to_permute];
      |                                  ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1357:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBRotor*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1357 |     for (int i=0; i<vrotors.size(); ++i)
      |                   ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1370:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<unsigned int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1370 |       for (int i=0; i<reordered_rotors.size(); ++i) {
      |                     ~^~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1291:9: warning: unused variable ‘origLogLevel’ [-Wunused-variable]
 1291 |     int origLogLevel = _loglvl;
      |         ^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1327:12: warning: variable ‘energy_offset’ set but not used [-Wunused-but-set-variable]
 1327 |     double energy_offset;
      |            ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In function ‘void OpenBabel::Reweight(std::vector<std::vector<double> >&, std::vector<int>, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1571:15: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type’ {aka ‘int’} [-Wsign-compare]
 1571 |         if (j == rotorKey[i])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1590:15: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type’ {aka ‘int’} [-Wsign-compare]
 1590 |         if (j == rotorKey[i])
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:624:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:620:20: note: ‘constraint’ declared here
  620 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:624:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomZConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:620:20: note: ‘constraint’ declared here
  620 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:635:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:629:20: note: ‘constraint’ declared here
  629 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:635:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:629:20: note: ‘constraint’ declared here
  629 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:647:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:640:20: note: ‘constraint’ declared here
  640 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:647:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:640:20: note: ‘constraint’ declared here
  640 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:660:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:652:20: note: ‘constraint’ declared here
  652 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:660:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:652:20: note: ‘constraint’ declared here
  652 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddIgnore(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:580:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM <const vector(2) double> [(double *)&constraint + 16B]’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddIgnore(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:577:20: note: ‘constraint’ declared here
  577 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:591:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:587:20: note: ‘constraint’ declared here
  587 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:591:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:587:20: note: ‘constraint’ declared here
  587 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:602:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:598:20: note: ‘constraint’ declared here
  598 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:602:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomXConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:598:20: note: ‘constraint’ declared here
  598 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:613:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rab0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:609:20: note: ‘constraint’ declared here
  609 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
In member function ‘OpenBabel::OBFFConstraint::OBFFConstraint(OpenBabel::OBFFConstraint const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFConstraint>::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFConstraint> >::construct<OpenBabel::OBFFConstraint, OpenBabel::OBFFConstraint const&>(std::allocator<OpenBabel::OBFFConstraint>&, OpenBabel::OBFFConstraint*, OpenBabel::OBFFConstraint const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFConstraint, std::allocator<OpenBabel::OBFFConstraint> >::push_back(OpenBabel::OBFFConstraint const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:613:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:233:16: warning: ‘MEM[(const struct OBFFConstraint &)&constraint].rbc0’ may be used uninitialized [-Wmaybe-uninitialized]
  233 |   class OBFPRT OBFFConstraint
      |                ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBFFConstraints::AddAtomYConstraint(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:609:20: note: ‘constraint’ declared here
  609 |     OBFFConstraint constraint;
      |                    ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp: In member function ‘OpenBabel::OBForceField::FastRotorSearch(bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1393:29: warning: ‘minj’ may be used uninitialized [-Wmaybe-uninitialized]
 1393 |         rotorKey[idx + 1] = minj;
      |                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1319:21: note: ‘minj’ was declared here
 1319 |     unsigned int j, minj;
      |                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1410:11: warning: ‘minE’ may be used uninitialized [-Wmaybe-uninitialized]
 1410 |           if (minE < best_minE) {
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefield.cpp:1320:22: note: ‘minE’ was declared here
 1320 |     double currentE, minE, best_minE;
      |                      ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  4%] Building CXX object src/CMakeFiles/openbabel.dir/grid.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/grid.cpp.o -MF CMakeFiles/openbabel.dir/grid.cpp.o.d -o CMakeFiles/openbabel.dir/grid.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/grid.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/grid.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:55:18: warning: ‘virtual void OpenBabel::OBGrid::Init(OpenBabel::OBMol&)’ was hidden [-Woverloaded-virtual=]
   55 |     virtual void Init(OBMol &box);
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:123:10: note:   by ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’
  123 |     void Init(OBMol &box,double spacing, double pad=0.0);
      |          ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/graphsym.cpp.o -MF CMakeFiles/openbabel.dir/graphsym.cpp.o.d -o CMakeFiles/openbabel.dir/graphsym.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/graphsym.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/griddata.cpp.o -MF CMakeFiles/openbabel.dir/griddata.cpp.o.d -o CMakeFiles/openbabel.dir/griddata.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/griddata.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/griddata.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:74:12: note:   by ‘double OpenBabel::OBGridData::GetValue(int, int, int) const’
   74 |     double GetValue(int i, int j, int k) const;
      |            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/griddata.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:55:18: warning: ‘virtual void OpenBabel::OBGrid::Init(OpenBabel::OBMol&)’ was hidden [-Woverloaded-virtual=]
   55 |     virtual void Init(OBMol &box);
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/grid.h:123:10: note:   by ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’
  123 |     void Init(OBMol &box,double spacing, double pad=0.0);
      |          ^~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/kekulize.cpp.o -MF CMakeFiles/openbabel.dir/kekulize.cpp.o.d -o CMakeFiles/openbabel.dir/kekulize.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/kekulize.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/kekulize.cpp: In function ‘bool OpenBabel::NeedsDoubleBond(OBAtom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/kekulize.cpp:94:15: warning: unused variable ‘nbr’ [-Wunused-variable]
   94 |       OBAtom *nbr = bond->GetNbrAtom(atom);
      |               ^~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/matrix.cpp.o -MF CMakeFiles/openbabel.dir/matrix.cpp.o.d -o CMakeFiles/openbabel.dir/matrix.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/matrix.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  5%] Building CXX object src/CMakeFiles/openbabel.dir/molchrg.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/molchrg.cpp.o -MF CMakeFiles/openbabel.dir/molchrg.cpp.o.d -o CMakeFiles/openbabel.dir/molchrg.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/molchrg.cpp
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[  5%] Building CXX object src/CMakeFiles/openbabel.dir/mol.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/mol.cpp.o -MF CMakeFiles/openbabel.dir/mol.cpp.o.d -o CMakeFiles/openbabel.dir/mol.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘unsigned int OpenBabel::OBMol::NumHvyAtoms()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:809:30: warning: unnecessary parentheses in declaration of ‘i’ [-Wparentheses]
  809 |     vector<OBAtom*>::iterator(i);
      |                              ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:809:30: note: remove parentheses
  809 |     vector<OBAtom*>::iterator(i);
      |                              ^~~
      |                              - -
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘unsigned int OpenBabel::OBMol::GetTotalSpinMultiplicity()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:1221:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1221 |         if (chg % 2 != unpaired_electrons %2)
      |             ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/bond.h:32,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:23:
In member function ‘OpenBabel::OBAtom::GetIdx() const’,
    inlined from ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4289:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/atom.h:189:63: warning: ‘atomB’ may be used uninitialized [-Wmaybe-uninitialized]
  189 |       unsigned int GetIdx()           const { return((int)_idx);  }
      |                                                               ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4273:21: note: ‘atomB’ was declared here
 4273 |             OBAtom *atomB, *atomE;
      |                     ^~~~~
In member function ‘OpenBabel::OBAtom::GetIdx() const’,
    inlined from ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4289:62:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/atom.h:189:63: warning: ‘atomE’ may be used uninitialized [-Wmaybe-uninitialized]
  189 |       unsigned int GetIdx()           const { return((int)_idx);  }
      |                                                               ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp: In member function ‘OpenBabel::OBMol::CopySubstructure(OpenBabel::OBMol&, OpenBabel::OBBitVec*, OpenBabel::OBBitVec*, unsigned int, std::vector<unsigned int, std::allocator<unsigned int> >*, std::vector<unsigned int, std::allocator<unsigned int> >*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mol.cpp:4273:29: note: ‘atomE’ was declared here
 4273 |             OBAtom *atomB, *atomE;
      |                             ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  5%] Building CXX object src/CMakeFiles/openbabel.dir/mcdlutil.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/mcdlutil.cpp.o -MF CMakeFiles/openbabel.dir/mcdlutil.cpp.o.d -o CMakeFiles/openbabel.dir/mcdlutil.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:423:5: warning: multi-line comment [-Wcomment]
  423 |     //                             /     \
      |     ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TSimpleMolecule::threeBondResolve(int, int, double&, double&, OpenBabel::neighbourlist*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:968:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  968 |     for (i=0; i<bk[an].nb; i++) {
      |               ~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:970:13: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  970 |       if (n != bondExcluded) {
      |           ~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:982:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  982 |               for (k=0; k<rs; k++) if (bondList[k] == (*blStore)[j]) {
      |                         ~^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:995:22: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  995 |           for (j=0; j<rs; j++) {
      |                     ~^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1017:20: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1017 |         for (i=0; i<nAtoms(); i++) {
      |                   ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::deleteAtom(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1396:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1396 |     for (i=0; i<nAtoms(); i++) if (i != index) {
      |               ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1396:38: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1396 |     for (i=0; i<nAtoms(); i++) if (i != index) {
      |                                    ~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TSimpleMolecule::makeFragment(std::vector<int>&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1471:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1471 |           for (j=0; j<list.size(); j++) if (list[j] == l) test1=true;
      |                     ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:1478:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1478 |     } while (k<list.size());
      |              ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::defC(int&, int, int, std::vector<int>&, std::vector<int>&, std::vector<std::vector<int> >&, std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2009:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2009 |           for (j=0; j<atomCycle[i].size(); j++) if (atomDefine[atomCycle[i][j]]>0) atDef=atDef+1;
      |                     ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2019:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2019 |       if (cN>=0) if (maxAtDef==atomCycle[cN].size()) {
      |                      ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2034:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2034 |           for (j=1; j<atomCycle[cN].size(); j++) atomCycle[cN][j-1]=atomCycle[cN][j];
      |                     ~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2040:45: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2040 |         for (j=0;currNumDef < atomClean && j<atomCycle[cN].size()-maxAtDef; j++) {
      |                                            ~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::defA(int&, int, int, int, std::vector<int>&, std::vector<int>, std::vector<int>&, std::vector<std::vector<int> >&, std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2107:98: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 2107 |       if (baseCycle>0) for (i=0; i<baseCycle; i++) if (cycleDefine[i]==0) if (atomCycle[i].size()<j) {
      |                                                                               ~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::redraw(std::vector<int>, std::vector<int>, int, int&, int, int, int, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2238:67: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 2238 |         for (j=0; j<baseCycle; j++) if(cycleDescription[j].size() == csmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
) {
      |                                        ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2240:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2240 |             for (k=0; k<cycleDescription[j].size(); k++) if (bondList[k] != cycleDescription[j][k]) {
      |                       ~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2264:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2264 |       for (j=1; j<cycleDescription[i].size(); j++) {
      |                 ~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2575:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2575 |               if ((nb + i) > dsATN.size()) nb=dsATN.size()-i; // Check added to avoid segfault below, see issue #1851
      |                   ~~~~~~~~~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::flipSmall(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2985:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2985 |       for (i=0; i<list1.size(); i++) {
      |                 ~^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:2965:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 2965 |     bool test;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::bondEnlarge(int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3024:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3024 |     for (i=0; i<list.size(); i++) { //coordinates change
      |               ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3002:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 3002 |     bool test;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TSimpleMolecule::correctDblBondStereo()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3103:26: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3103 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom1] || bond->at[1]==dblbond->bstereo_refs[ref_atom1])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3103:75: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3103 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom1] || bond->at[1]==dblbond->bstereo_refs[ref_atom1])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3105:26: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3105 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom2] || bond->at[1]==dblbond->bstereo_refs[ref_atom2])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3105:75: warning: comparison of integer expressions of different signedness: ‘short int’ and ‘__gnu_cxx::__alloc_traits<std::allocator<long unsigned int>, long unsigned int>::value_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3105 |           if (bond->at[0]==dblbond->bstereo_refs[ref_atom2] || bond->at[1]==dblbond->bstereo_refs[ref_atom2])
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘bool OpenBabel::compareAtoms(int, int, std::vector<std::vector<int>*>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3127:37: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::vector<int>*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3127 |     if ((a1 < 0) || (a2 < 0) || (a1 >= aeqList.size()) || (a2 >= aeqList.size())) return result;
      |                                  ~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3127:63: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::vector<int>*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3127 |     if ((a1 < 0) || (a2 < 0) || (a1 >= aeqList.size()) || (a2 >= aeqList.size())) return result;
      |                                                            ~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TSimpleMolecule::makeEquivalentList(std::vector<int>&, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3291:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3291 |       for (j=0; j<lL->size(); j++) (*lL)[i]=0;
      |                 ~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3299:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3299 |     for (i=0; i<equivalenceList.size(); i++) equivalenceList[i]=0;
      |               ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3309:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::vector<int>*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3309 |     for (int i=0; i<aeqList.size(); i++) delete(aeqList.at(i));
      |                   ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘bool OpenBabel::incrementValues(std::vector<int>&, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3325:13: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘const __gnu_cxx::__alloc_traits<std::allocator<int>, int>::value_type’ {aka ‘const int’} [-Wsign-compare]
 3325 |       if (l <= maxValues[i]) {
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘int OpenBabel::TSimpleMolecule::correctOverlapped()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3374:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3374 |       for (i=0; i<rotBondList.size(); i++)
      |                 ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3427:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3427 |           for (i=0; i<inner_bonds.size(); i++) if (inner_bonds[i] != 0) {
      |                     ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3437:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3437 |           for (i=0; i<remainder.size(); i++) {
      |                     ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘void OpenBabel::deleteIntElement(std::vector<int>*, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:3540:44: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 3540 |     for (i=0; i<source->size(); i++) if (i != index) {
      |                                          ~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TEditedMolecule::addAsTemplate(OpenBabel::TEditedMolecule&, int, int, int, int, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4216:19: warning: variable ‘nBondsOld’ set but not used [-Wunused-but-set-variable]
 4216 |     int nAtomsOld,nBondsOld,naDef1,naDef,i;
      |                   ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4217:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 4217 |     bool test,test1,test2;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4217:15: warning: variable ‘test1’ set but not used [-Wunused-but-set-variable]
 4217 |     bool test,test1,test2;
      |               ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4217:21: warning: variable ‘test2’ set but not used [-Wunused-but-set-variable]
 4217 |     bool test,test1,test2;
      |                     ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4219:40: warning: variable ‘xCenter’ set but not used [-Wunused-but-set-variable]
 4219 |     double r,scale,xOld,yOld,xNew,yNew,xCenter,yCenter;
      |                                        ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4219:48: warning: variable ‘yCenter’ set but not used [-Wunused-but-set-variable]
 4219 |     double r,scale,xOld,yOld,xNew,yNew,xCenter,yCenter;
      |                                                ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘OpenBabel::TEditedMolecule* OpenBabel::TEditedMolecule::extractFragment(int, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4410:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4410 |     if (list.size()>1) for (i=0; i<(list.size()-1); i++) for (j=i+1; j<list.size(); j++) if (list[i]>list[j]) {
      |                                  ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4410:71: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4410 |     if (list.size()>1) for (i=0; i<(list.size()-1); i++) for (j=i+1; j<list.size(); j++) if (list[i]>list[j]) {
      |                                                                      ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4415:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4415 |     for (i=0; i<list.size(); i++) inverseList[list[i]]=i;
      |               ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4418:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4418 |     for (i=0; i<list.size(); i++) {
      |               ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4399:10: warning: variable ‘test’ set but not used [-Wunused-but-set-variable]
 4399 |     bool test;
      |          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘int OpenBabel::TEditedMolecule::prepareQuery(OpenBabel::TSimpleMolecule&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4591:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4591 |       for (j=0; j<queryInverse.size(); j++) queryInverse[j]=queryAQTested[j];
      |                 ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4596:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4596 |       for (i=0; i<queryQHydr.size(); i++) queryQHydr[i]=queryBQTested[i];
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4601:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4601 |       for (i=0; i<bSTestedStore.size(); i++) bSTestedStore[i]=bSTested[i];
      |                 ~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TEditedMolecule::removeHydrogen(std::vector<int>*, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4636:31: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 4636 |       if (qEnumerator->size() != nAtoms()) qEnumerator->resize(nAtoms());
      |           ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4637:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4637 |       for (i=0; i<qEnumerator->size(); i++) (*qEnumerator)[i]=i;
      |                 ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4666:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4666 |             for (j=0; j<qEnumerator->size(); j++) {
      |                       ~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TEditedMolecule::fragmentSearch(OpenBabel::TEditedMolecule*, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4853:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4853 |     if (molecule1->listarSize()>aSTested.size()) aSTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4854:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4854 |     if (molecule1->listarSize()>bSTested.size()) bSTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4855:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4855 |     if (molecule1->listarSize()>queryQHydr.size()) queryQHydr.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4856:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4856 |     if (molecule1->listarSize()>queryAQTested.size()) queryAQTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4857:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4857 |     if (molecule1->listarSize()>queryBQTested.size()) queryBQTested.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4858:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4858 |     if (molecule1->listarSize()>queryCurrentAssignment.size()) queryCurrentAssignment.resize(molecule1->listarSize());
      |         ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4859:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 4859 |     if (this->listarSize()>queryAQTested.size()) queryAQTested.resize(this->listarSize());
      |         ~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5036:10: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else]
 5036 |       if (test2) for (j=0; j<molecule1->nBonds(); j++) if (bSTested[j]>=0) (*bondLabel)[j]=1; else (*bondLabel)[j]=0;
      |          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4840:9: warning: variable ‘cycleNumber’ set but not used [-Wunused-but-set-variable]
 4840 |     int cycleNumber;
      |         ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TemplateRedraw::loadTemplates()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5115:24: warning: catching polymorphic type ‘class std::exception’ by value [-Wcatch-value=]
 5115 |     } catch (exception ex) {
      |                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘bool OpenBabel::TemplateRedraw::internalBondsPresent(OpenBabel::TEditedMolecule*, OpenBabel::TSimpleMolecule*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5205:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 5205 |     for (i=0; i<mQuery->nAtoms(); i++) aList[mQuery->queryAQTested[i]]=1;
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5206:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 5206 |     for (i=0; i<mQuery->nBonds(); i++) bList[mQuery->queryBQTested[i]]=1;
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::rotateBondVertically(OpenBabel::TSimpleMolecule*, std::vector<int>, int, double, double, double&, double&, double&, double&, double&, double&, int&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5236:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5236 |     for (i=0; i<bondList.size(); i++) {
      |               ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5281:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5281 |     for (i=0; i<bondList.size(); i++) {
      |               ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::selectFragmentConfiguration(OpenBabel::TSimpleMolecule*, std::vector<int>*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5315:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5315 |       for (i=0; i<atomList->size(); i++) {
      |                 ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5332:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5332 |       for (i=0; i<bondListAll.size(); i++) bondList[i]=bondListAll[i];
      |                 ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5362:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5362 |         for (i=0; i<bondList.size(); i++) {
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5372:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5372 |         for (i=0; i<bondList.size(); i++) {
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::rescaleSingleFragment(OpenBabel::TSimpleMolecule*, std::vector<int>*, OpenBabel::PartFragmentDefinition&, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5403:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5403 |     for (i=0; i<atomList->size(); i++) {
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5416:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5416 |       for (i=0; i<atomList->size(); i++) {
      |                 ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5432:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5432 |     for (i=0; i<atomList->size(); i++) {
      |               ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘int OpenBabel::TemplateRedraw::coordinatesPrepare(OpenBabel::TEditedMolecule&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5671:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5671 |     for (i=kk; i<queryData.size(); i++) if ((TEditedMolecule *)queryData[i]->fragmentSearch(&sm,nullptr)) {
      |                ~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5719:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5719 |       for (i=0; i<enumerator.size(); i++) enumerator[i]=-1;
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5722:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5722 |       for (i=0; i<enumerator.size(); i++) if (enumerator[i]==-1) {
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5730:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5730 |         for (j=0; j<enumerator.size(); j++)  if (enumerator[j]==i) {
      |                   ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5802:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5802 |       for (i=0; i<groupsFind.size(); i++) {
      |                 ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5832:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5832 |     for (i=0; i<groupsFind.size(); i++) delete(groupsFind[i]);
      |               ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5660:9: warning: variable ‘naStore’ set but not used [-Wunused-but-set-variable]
 5660 |     int naStore;
      |         ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘void OpenBabel::TemplateRedraw::redrawFine(OpenBabel::TSimpleMolecule&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5898:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5898 |         for (j=0; j<atomList.size(); j++) {
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5910:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5910 |       for (frCount=0; frCount<molList.size(); frCount++) {
      |                       ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5926:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5926 |     for (frCount=0; frCount<molList.size(); frCount++) {
      |                     ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5949:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5949 |       for (i=0; i<atomList.size(); i++) atomList[i]=i;
      |                 ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:5964:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 5964 |     for (frCount=0; frCount<molList.size(); frCount++) {
      |                     ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6004:17: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::PartFragmentDefinition*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6004 |       for (i=0;i<frList.size(); i++) {
      |                ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6011:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::PartFragmentDefinition*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6011 |       for (i=0; i<frList.size(); i++) {
      |                 ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6030:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::StereoBondStore*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6030 |     for (i=0; i<stereoBondList.size(); i++) {
      |               ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6038:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::StereoBondStore*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6038 |     for (i=0; i<stereoBondList.size(); i++) delete(stereoBondList[i]);
      |               ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6039:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::PartFragmentDefinition*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6039 |     for (i=0; i<frList.size(); i++) delete(frList[i]);
      |               ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6040:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::TEditedMolecule*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6040 |     for (i=0; i<molList.size(); i++) delete(molList[i]);
      |               ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘int OpenBabel::indexOf(std::string, std::string, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6362:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const std::__cxx11::basic_string<char>::size_type’ {aka ‘const long unsigned int’} [-Wsign-compare]
 6362 |     if (result == string::npos) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6363:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6363 |     if (result >= instring.length()) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘std::string OpenBabel::getAtomMCDL(OBMol*, int, std::vector<int>, std::vector<int>, std::vector<int>, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6550:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6550 |         for (j=0; j<priority.size(); j++) priority[j]=0;
      |                   ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6595:43: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6595 |     if (anumStereo.size() > 1) for (i=0; i<(anumStereo.size()-1); i++) if (anumStereo[i] >= 0) {
      |                                          ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6597:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6597 |           for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) n++;
      |                       ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6603:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6603 |             for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) {
      |                         ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6613:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6613 |               for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) anumStereo[j]=-1;
      |                           ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6616:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6616 |               for (j=i+1; j<anumStereo.size(); j++) if ((anumStereo[i] >= 0) && (anumStereo[j] >= 0)) if (eqList[anumStereo[i]] == eqList[anumStereo[j]]) anumStereo[j]=-2;
      |                           ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6627:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6627 |       if (k == 1) for (i=0; i<anumStereo.size(); i++) if (anumStereo[i] == -1) {  //all parities should be changed to satisfy..
      |                             ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6636:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6636 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6636:69: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6636 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                                                    ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6646:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6646 |       for (i=0; i < v.size(); i++) {
      |                 ~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘std::string OpenBabel::getBondMCDL(OBMol*, int, int, std::vector<int>, std::vector<int>, int (*)[4], std::vector<int>, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6847:43: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6847 |     if (anumStereo.size() > 1) for (i=0; i<(anumStereo.size()-1); i++) if (anumStereo[i] >= 0) {
      |                                          ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6849:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6849 |           for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) n++;
      |                       ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6854:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6854 |             for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) {
      |                         ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6868:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6868 |                 for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) {
      |                             ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6876:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6876 |             for (j=i+1; j<anumStereo.size(); j++) if (bondEquivalent(anumStereo[i],anumStereo[j],eqList,sm)) anumStereo[j]=-1;
      |                         ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6881:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6881 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6881:69: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6881 |     if (v.size() > 1) for (i=0; i<(v.size() - 1); i++) for (j=i+1; j<v.size(); j++) {
      |                                                                    ~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6891:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6891 |       for (i=0; i < v.size(); i++) {
      |                 ~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6684:26: warning: variable ‘n4’ set but not used [-Wunused-but-set-variable]
 6684 |     int i,j,n,m,n1,n2,n3,n4,an1,an2,an3,an4,k;
      |                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘void OpenBabel::implementAtomStereo(std::vector<int>&, std::vector<int>&, std::vector<int>&, std::vector<double>, std::vector<double>, int, int, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:6964:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 6964 |         if (n1 < (astereo.length()-1)) astereo=astereo.substr(n1+1); else astereo="";
      |             ~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘void OpenBabel::implementBondStereo(std::vector<int>, std::vector<int>, std::vector<double>&, std::vector<double>&, int, int, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7028:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7028 |         if (n1 < (bstereo.length()-1)) bstereo=bstereo.substr(n1+1); else bstereo="";
      |             ~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7071:34: warning: catching polymorphic type ‘class std::exception’ by value [-Wcatch-value=]
 7071 |               } catch (exception ex) {
      |                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7085:34: warning: catching polymorphic type ‘class std::exception’ by value [-Wcatch-value=]
 7085 |               } catch (exception ex) {
      |                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘int OpenBabel::groupRedraw(OBMol*, int, int, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7163:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7163 |       for (i=0; i<atomList.size(); i++) allAtomList[atomList[i]]=1;
      |                 ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7171:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7171 |       for (int i=0; i<atomList.size(); i++) {
      |                     ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In function ‘bool OpenBabel::parseFormula(std::string, std::vector<int>&, int&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7213:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7213 |             if (n<value.length()) if ((value.at(n)>='0') && (value.at(n)<='9')) {
      |                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7216:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7216 |                 while ((n2<(value.length()-1)) && (value.at(n2)>='0') && (value.at(n2)<='9')) n2++;
      |                         ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7237:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7237 |             if (n<value.length()) if ((value.at(n)>='0') && (value.at(n)<='9')) {
      |                 ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:7240:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 7240 |                 while ((n2<(value.length()-1)) && (value.at(n2)>='0') && (value.at(n2)<='9')) n2++;
      |                         ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp: In member function ‘OpenBabel::TEditedMolecule::addAsTemplate(OpenBabel::TEditedMolecule&, int, int, int, int, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4333:16: warning: ‘r1’ may be used uninitialized [-Wmaybe-uninitialized]
 4333 |         xNew=r1*scale*xu1+this->getAtom(thisAN)->rx;
      |              ~~^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/mcdlutil.cpp:4220:12: note: ‘r1’ was declared here
 4220 |     double r1;
      |            ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  5%] Building CXX object src/CMakeFiles/openbabel.dir/obconversion.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obconversion.cpp.o -MF CMakeFiles/openbabel.dir/obconversion.cpp.o.d -o CMakeFiles/openbabel.dir/obconversion.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obconversion.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obconversion.cpp:48:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obconversion.cpp:37:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/oberror.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/oberror.cpp.o -MF CMakeFiles/openbabel.dir/oberror.cpp.o.d -o CMakeFiles/openbabel.dir/oberror.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/oberror.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/obfunctions.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obfunctions.cpp.o -MF CMakeFiles/openbabel.dir/obfunctions.cpp.o.d -o CMakeFiles/openbabel.dir/obfunctions.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obfunctions.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/obutil.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obutil.cpp.o -MF CMakeFiles/openbabel.dir/obutil.cpp.o.d -o CMakeFiles/openbabel.dir/obutil.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obutil.cpp
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/op.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/op.cpp.o -MF CMakeFiles/openbabel.dir/op.cpp.o.d -o CMakeFiles/openbabel.dir/op.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/op.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/op.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/obiter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obiter.cpp.o -MF CMakeFiles/openbabel.dir/obiter.cpp.o.d -o CMakeFiles/openbabel.dir/obiter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obiter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/patty.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/patty.cpp.o -MF CMakeFiles/openbabel.dir/patty.cpp.o.d -o CMakeFiles/openbabel.dir/patty.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/patty.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/parsmart.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/parsmart.cpp.o -MF CMakeFiles/openbabel.dir/parsmart.cpp.o.d -o CMakeFiles/openbabel.dir/parsmart.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp: In function ‘int OpenBabel::CreateAtom(Pattern*, AtomExpr*, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:446:15: warning: variable ‘size’ set but not used [-Wunused-but-set-variable]
  446 |     int index,size;
      |               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp: In function ‘int OpenBabel::CreateBond(Pattern*, BondExpr*, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:478:15: warning: variable ‘size’ set but not used [-Wunused-but-set-variable]
  478 |     int index,size;
      |               ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/phmodel.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/phmodel.cpp.o -MF CMakeFiles/openbabel.dir/phmodel.cpp.o.d -o CMakeFiles/openbabel.dir/phmodel.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/phmodel.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/plugin.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/plugin.cpp.o -MF CMakeFiles/openbabel.dir/plugin.cpp.o.d -o CMakeFiles/openbabel.dir/plugin.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/plugin.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/plugin.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/query.cpp.o -MF CMakeFiles/openbabel.dir/query.cpp.o.d -o CMakeFiles/openbabel.dir/query.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/query.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/query.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/bond.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/query.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/query.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/pointgroup.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/pointgroup.cpp.o -MF CMakeFiles/openbabel.dir/pointgroup.cpp.o.d -o CMakeFiles/openbabel.dir/pointgroup.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘int OpenBabel::PointGroupPrivate::establish_pairs(SYMMETRY_ELEMENT*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:267:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  267 |         if( elem->transform[i] >= _mol->NumAtoms() ){ /* No symmetric atom yet          */
      |             ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘int OpenBabel::PointGroupPrivate::check_transform_order(SYMMETRY_ELEMENT*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:311:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  311 |         if( elem->transform[i] == i )   /* Identity transform is Ok for any order */
      |             ~~~~~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:315:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  315 |           if( elem->transform[j] == i )
      |               ~~~~~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘int OpenBabel::PointGroupPrivate::same_transform(SYMMETRY_ELEMENT*, SYMMETRY_ELEMENT*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:358:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  358 |           if( b->transform[j] != i )
      |               ~~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘OpenBabel::OBPointGroup::Symbol OpenBabel::OBPointGroup::IdentifyPointGroupSymbol(double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:1958:37: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1958 |           || d->NormalAxesCounts[2] >= maxAxis) { // Are there the perpendicular C2 axes?
      |              ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:1961:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1961 |         if (d->PlanesCount >= maxAxis + 1) { // Likely Dnh
      |             ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:1986:33: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1986 |         else if (d->PlanesCount == maxAxis) { // Likely Dnd
      |                  ~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2088:29: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 2088 |     else if (d->PlanesCount >= maxAxis) { // Cnv
      |              ~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp: In member function ‘void OpenBabel::OBPointGroup::Symmetrize(OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2175:32: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 2175 |     for (unsigned int i = 0; i < d->PlanesCount; i++)
      |                              ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2182:32: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 2182 |     for (unsigned int i = 0; i < d->NormalAxesCount; i++)
      |                              ~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/pointgroup.cpp:2189:32: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 2189 |     for (unsigned int i = 0; i < d->ImproperAxesCount; i++)
      |                              ~~^~~~~~~~~~~~~~~~~~~~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/rand.cpp.o -MF CMakeFiles/openbabel.dir/rand.cpp.o.d -o CMakeFiles/openbabel.dir/rand.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rand.cpp
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/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rand.cpp:428:15: warning: ‘void OpenBabel::GenerateSequence(unsigned int, unsigned int, unsigned int, unsigned int)’ defined but not used [-Wunused-function]
  428 |   static void GenerateSequence( unsigned int p, unsigned int m,
      |               ^~~~~~~~~~~~~~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/reactionfacade.cpp.o -MF CMakeFiles/openbabel.dir/reactionfacade.cpp.o.d -o CMakeFiles/openbabel.dir/reactionfacade.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/reactionfacade.cpp
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/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/reactionfacade.cpp: In member function ‘void OpenBabel::OBReactionFacadePrivate::FindComponents()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/reactionfacade.cpp:122:15: warning: unused variable ‘atm’ [-Wunused-variable]
  122 |       OBAtom* atm = &*atom;
      |               ^~~
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/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp: In member function ‘void OpenBabel::OBRotamerList::AddRotamer(std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:410:11: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  410 |           while (angle < 0.0)
      |           ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:412:17: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  412 |                 while (angle > 360.0)
      |                 ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp: In member function ‘bool OpenBabel::OBRotamerList::SetCurrentCoordinates(OpenBabel::OBMol&, std::vector<int>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:543:11: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  543 |           while (angle < 0.0)
      |           ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotamer.cpp:545:17: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  545 |                 while (angle > 360.0)
      |                 ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  9%] Building CXX object src/CMakeFiles/openbabel.dir/spectrophore.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/spectrophore.cpp.o -MF CMakeFiles/openbabel.dir/spectrophore.cpp.o.d -o CMakeFiles/openbabel.dir/spectrophore.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/spectrophore.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  9%] Building CXX object src/CMakeFiles/openbabel.dir/rotor.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/rotor.cpp.o -MF CMakeFiles/openbabel.dir/rotor.cpp.o.d -o CMakeFiles/openbabel.dir/rotor.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/rotor.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  9%] Building CXX object src/CMakeFiles/openbabel.dir/tautomer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/tautomer.cpp.o -MF CMakeFiles/openbabel.dir/tautomer.cpp.o.d -o CMakeFiles/openbabel.dir/tautomer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/tautomer.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/tautomer.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/tautomer.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/tautomer.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[  9%] Building CXX object src/CMakeFiles/openbabel.dir/tokenst.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/tokenst.cpp.o -MF CMakeFiles/openbabel.dir/tokenst.cpp.o.d -o CMakeFiles/openbabel.dir/tokenst.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/tokenst.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/transform.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/transform.cpp.o -MF CMakeFiles/openbabel.dir/transform.cpp.o.d -o CMakeFiles/openbabel.dir/transform.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/transform.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/transform.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/transform.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/typer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/typer.cpp.o -MF CMakeFiles/openbabel.dir/typer.cpp.o.d -o CMakeFiles/openbabel.dir/typer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/typer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/obmolecformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obmolecformat.cpp.o -MF CMakeFiles/openbabel.dir/obmolecformat.cpp.o.d -o CMakeFiles/openbabel.dir/obmolecformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/obmolecformat.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/conformersearch.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/conformersearch.cpp.o -MF CMakeFiles/openbabel.dir/conformersearch.cpp.o.d -o CMakeFiles/openbabel.dir/conformersearch.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/conformersearch.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘virtual double OpenBabel::OBMinimizingRMSDConformerScore::Score(OpenBabel::OBMol&, unsigned int, const OpenBabel::RotorKeys&, const std::vector<double*>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:250:12: warning: unused variable ‘score’ [-Wunused-variable]
  250 |     double score = ff->Energy(false); // no gradients
      |            ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘bool OpenBabel::OBConformerSearch::Setup(const OpenBabel::OBMol&, int, int, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:352:23: warning: variable ‘end_it’ set but not used [-Wunused-but-set-variable]
  352 |       OBRotorIterator end_it = m_rotorList.EndRotors();
      |                       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘int OpenBabel::OBConformerSearch::local_opt()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:790:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘size_t’ {aka ‘long unsigned int’} [-Wsign-compare]
  790 |     for (i = 1; i <= m_rotorList.Size(); ++i, rotor = m_rotorList.NextRotor(ri))
      |                 ~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘int OpenBabel::OBConformerSearch::reproduce(OpenBabel::RotorKey&, OpenBabel::RotorKey&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:851:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  851 |     if (iniche > -1)
      |         ~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘int OpenBabel::OBConformerSearch::share_fitness()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1006:37: warning: comparison of integer expressions of different signedness: ‘std::vector<std::vector<int> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 1006 |         if ((dynamic_niches.size () < nb_niches) && (dynamic_niches.size () %2))
      |              ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1021:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1021 |                     if (dist < min_dist )
      |                         ~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1034:18: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
 1034 |         if (imax == -1)
      |             ~~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1051:40: warning: comparison of integer expressions of different signedness: ‘std::vector<std::vector<int> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 1051 |             if (dynamic_niches.size () < nb_niches)
      |                 ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:977:10: warning: unused variable ‘flag_niched’ [-Wunused-variable]
  977 |     bool flag_niched = false;
      |          ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘double OpenBabel::OBConformerSearch::sharing_generation()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1140:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1140 |     while (ninsert < ((half_pop * 2) / 3))
      |            ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1149:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1149 |             if (iround < imax)
      |                 ~~~~~~~^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1157:33: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1157 |                     if (ninsert >= half_pop)
      |                         ~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1182:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1182 |     while (ninsert < half_pop)
      |            ~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1106:23: warning: unused variable ‘lowest’ [-Wunused-variable]
 1106 |     double sum = 0.0, lowest = 0.0, highest = 0.0;
      |                       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:1106:37: warning: unused variable ‘highest’ [-Wunused-variable]
 1106 |     double sum = 0.0, lowest = 0.0, highest = 0.0;
      |                                     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp: In member function ‘OpenBabel::OBConformerSearch::MakeSelection()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/conformersearch.cpp:550:31: warning: ‘highest’ may be used uninitialized [-Wmaybe-uninitialized]
  550 |     double sum = 0.0, lowest, highest;
      |                               ^~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/confsearch.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/confsearch.cpp.o -MF CMakeFiles/openbabel.dir/confsearch.cpp.o.d -o CMakeFiles/openbabel.dir/confsearch.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/atom.h:30,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp: In constructor ‘OpenBabel::OBDiversePoses::OBDiversePoses(const OpenBabel::OBMol&, double, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:134:66: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = less<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  134 |     vec.erase(std::remove_if(vec.begin(), vec.end(), std::bind2nd(std::less<double>(), (cutoff + 0.1) )), vec.end());
      |                                                      ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp: In member function ‘bool OpenBabel::OBDiversePoses::AddPose(std::vector<OpenBabel::vector3>, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:189:14: warning: unused variable ‘min_rmsd’ [-Wunused-variable]
  189 |       double min_rmsd = DBL_MAX;
      |              ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp: In member function ‘int OpenBabel::OBForceField::DiverseConfGen(double, unsigned int, double, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/confsearch.cpp:444:77: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = plus<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  444 |     transform(_energies.begin(), _energies.end(), _energies.begin(), bind2nd(std::plus<double>(), energy_offset));
      |                                                                      ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o -MF CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o.d -o CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/dlhandler_unix.cpp
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/depict/depict.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/depict/depict.cpp.o -MF CMakeFiles/openbabel.dir/depict/depict.cpp.o.d -o CMakeFiles/openbabel.dir/depict/depict.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In function ‘unsigned int OpenBabel::GetAtomSymClass(OBAtom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:284:11: warning: unused variable ‘nclasses’ [-Wunused-variable]
  284 |       int nclasses = end_pos - copy_sym.begin();
      |           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In member function ‘virtual void OpenBabel::OBDepictPrivate::DrawAtomLabel(const std::string&, int, const OpenBabel::vector3&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1024:21: warning: variable ‘metrics’ set but not used [-Wunused-but-set-variable]
 1024 |       OBFontMetrics metrics = painter->GetFontMetrics(str);
      |                     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1029:21: warning: variable ‘metrics’ set but not used [-Wunused-but-set-variable]
 1029 |       OBFontMetrics metrics = painter->GetFontMetrics(subscript);
      |                     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In member function ‘void OpenBabel::OBDepictPrivateBallAndStick::DrawAromaticRingBond(OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, const OpenBabel::vector3&, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1238:99: warning: expression does not compute the number of elements in this array; element type is ‘const float’, not ‘double’ [-Wsizeof-array-div]
 1238 |     static const vector<double> pat = vector<double>(dashpattern,dashpattern + sizeof(dashpattern)/sizeof(double));
      |                                                                                ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1238:100: note: add parentheses around ‘sizeof (double)’ to silence this warning
 1238 |     static const vector<double> pat = vector<double>(dashpattern,dashpattern + sizeof(dashpattern)/sizeof(double));
      |                                                                                                    ^~~~~~~~~~~~~~
      |                                                                                                    (             )
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:1237:24: note: array ‘dashpattern’ declared here
 1237 |     static const float dashpattern[] = {5., 5.};
      |                        ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp: In member function ‘OpenBabel::OBDepict::DrawMolecule(OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:462:22: warning: ‘min_x’ may be used uninitialized [-Wmaybe-uninitialized]
  462 |       width  = max_x - min_x + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:435:14: note: ‘min_x’ was declared here
  435 |       double min_x, max_x;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:462:22: warning: ‘max_x’ may be used uninitialized [-Wmaybe-uninitialized]
  462 |       width  = max_x - min_x + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:435:21: note: ‘max_x’ was declared here
  435 |       double min_x, max_x;
      |                     ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:463:22: warning: ‘min_y’ may be used uninitialized [-Wmaybe-uninitialized]
  463 |       height = max_y - min_y + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:436:14: note: ‘min_y’ was declared here
  436 |       double min_y, max_y;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:463:22: warning: ‘max_y’ may be used uninitialized [-Wmaybe-uninitialized]
  463 |       height = max_y - min_y + 2*margin;
      |                ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:436:21: note: ‘max_y’ was declared here
  436 |       double min_y, max_y;
      |                     ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:465:25: warning: ‘min_z’ may be used uninitialized [-Wmaybe-uninitialized]
  465 |       d->zScale = max_z - min_z;
      |                   ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:437:14: note: ‘min_z’ was declared here
  437 |       double min_z, max_z;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:465:25: warning: ‘max_z’ may be used uninitialized [-Wmaybe-uninitialized]
  465 |       d->zScale = max_z - min_z;
      |                   ~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/depict.cpp:437:21: note: ‘max_z’ was declared here
  437 |       double min_z, max_z;
      |                     ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o -MF CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o.d -o CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h: In constructor ‘OpenBabel::SVGPainter::SVGPainter(std::ostream&, std::set<std::pair<OpenBabel::OBColor, OpenBabel::OBColor> >*, bool, double, double)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:77:11: warning: ‘OpenBabel::SVGPainter::m_fontPointSize’ will be initialized after [-Wreorder]
   77 |       int m_fontPointSize;
      |           ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:75:12: warning:   ‘bool OpenBabel::SVGPainter::m_isFillcolor’ [-Wreorder]
   75 |       bool m_isFillcolor;
      |            ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp:34:3: warning:   when initialized here [-Wreorder]
   34 |   SVGPainter::SVGPainter(ostream& ofs, std::set<ColorGradient>* gradients, bool withViewBox,
      |   ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:75:12: warning: ‘OpenBabel::SVGPainter::m_isFillcolor’ will be initialized after [-Wreorder]
   75 |       bool m_isFillcolor;
      |            ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/depict/svgpainter.h:74:32: warning:   ‘std::set<std::pair<OpenBabel::OBColor, OpenBabel::OBColor> >* OpenBabel::SVGPainter::m_Gradients’ [-Wreorder]
   74 |       std::set<ColorGradient> *m_Gradients;
      |                                ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/svgpainter.cpp:34:3: warning:   when initialized here [-Wreorder]
   34 |   SVGPainter::SVGPainter(ostream& ofs, std::set<ColorGradient>* gradients, bool withViewBox,
      |   ^~~~~~~~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/spacegroup.cpp.o -MF CMakeFiles/openbabel.dir/math/spacegroup.cpp.o.d -o CMakeFiles/openbabel.dir/math/spacegroup.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/math/spacegroup.cpp
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/transform3d.cpp.o -MF CMakeFiles/openbabel.dir/math/transform3d.cpp.o.d -o CMakeFiles/openbabel.dir/math/transform3d.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/math/transform3d.cpp
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[ 12%] Building CXX object src/CMakeFiles/openbabel.dir/math/vector3.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/vector3.cpp.o -MF CMakeFiles/openbabel.dir/math/vector3.cpp.o.d -o CMakeFiles/openbabel.dir/math/vector3.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/math/vector3.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/distgeom.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/distgeom.cpp.o -MF CMakeFiles/openbabel.dir/distgeom.cpp.o.d -o CMakeFiles/openbabel.dir/distgeom.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:54: warning: ignoring ‘#pragma warning ’ [-Wunknown-pragmas]
   54 | #pragma warning(disable : 4244) // warning C4244: '=' : conversion from 'double' to 'float', possible loss of data
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:55: warning: ignoring ‘#pragma warning ’ [-Wunknown-pragmas]
   55 | #pragma warning(disable : 4305) // warning C4305: '*=' : truncation from 'double' to 'float'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:619:3: warning: multi-line comment [-Wcomment]
  619 |   //              \
      |   ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:38:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/distgeom.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘bool OpenBabel::OBDistanceGeometry::generateInitialCoords()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1089:16: warning: unused variable ‘lb’ [-Wunused-variable]
 1089 |         double lb = _d->GetLowerBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1090:16: warning: unused variable ‘ub’ [-Wunused-variable]
 1090 |         double ub = _d->GetUpperBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘bool OpenBabel::OBDistanceGeometry::firstMinimization()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1136:16: warning: unused variable ‘lb’ [-Wunused-variable]
 1136 |         double lb = _d->GetLowerBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1137:16: warning: unused variable ‘ub’ [-Wunused-variable]
 1137 |         double ub = _d->GetUpperBounds(i, j);
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1115:9: warning: unused variable ‘niter’ [-Wunused-variable]
 1115 |     int niter = solver.minimize(fun, _coord, fx);
      |         ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘bool OpenBabel::OBDistanceGeometry::minimizeFourthDimension()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1160:9: warning: unused variable ‘niter’ [-Wunused-variable]
 1160 |     int niter = solver.minimize(fun, _coord, fx);
      |         ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘double OpenBabel::DistGeomFunc::operator()(const Eigen::VectorXd&, Eigen::VectorXd&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1325:23: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘Eigen::Index’ {aka ‘long int’} [-Wsign-compare]
 1325 |     for (size_t i=0; i<grad.rows(); i++) {
      |                      ~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp: In member function ‘double OpenBabel::DistGeomFunc4D::operator()(const Eigen::VectorXd&, Eigen::VectorXd&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/distgeom.cpp:1452:23: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘Eigen::Index’ {aka ‘long int’} [-Wsign-compare]
 1452 |     for (size_t i=0; i<grad.rows(); i++) {
      |                      ~^~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:341,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/distgeom.h:34:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h: In function ‘Eigen::internal::trmv_selector<6, 1>::run<Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const>, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const>, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> > >(Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const> const&, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const> const&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >::Scalar const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:332:12: warning: ‘result_47’ may be used uninitialized [-Wmaybe-uninitialized]
  327 |     internal::triangular_matrix_vector_product
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  328 |       <Index,Mode,
      |       ~~~~~~~~~~~~
  329 |        LhsScalar, LhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  330 |        RhsScalar, RhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  331 |        RowMajor>
      |        ~~~~~~~~~
  332 |       ::run(actualLhs.rows(),actualLhs.cols(),
      |       ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  333 |             actualLhs.data(),actualLhs.outerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  334 |             actualRhsPtr,1,
      |             ~~~~~~~~~~~~~~~
  335 |             dest.data(),dest.innerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  336 |             actualAlpha);
      |             ~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:105:24: note: by argument 5 of type ‘const double *’ to ‘Eigen::internal::triangular_matrix_vector_product<long, 6, double, false, double, false, 1, 0>::run(long, long, double const*, long, domake[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
uble const*, long, double*, long, double const&) [clone .constprop.0]’ declared here
  105 | EIGEN_DONT_INLINE void triangular_matrix_vector_product<Index,Mode,LhsScalar,ConjLhs,RhsScalar,ConjRhs,RowMajor,Version>
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:337:
/usr/include/eigen3/Eigen/src/Core/products/SelfadjointMatrixVector.h: In function ‘Eigen::internal::selfadjoint_product_impl<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false>, 17, false, Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, -1, 1, 0, -1, 1> const> const, Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, 1, true>, -1, 1, false> const>, 0, true>::run<Eigen::Block<Eigen::Matrix<double, -1, 1, 0, -1, 1>, -1, 1, false> >(Eigen::Block<Eigen::Matrix<double, -1, 1, 0, -1, 1>, -1, 1, false>&, Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const&, Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, -1, 1, 0, -1, 1> const> const, Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, 1, true>, -1, 1, false> const> const&, double const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/SelfadjointMatrixVector.h:229:7: warning: ‘result_66’ may be used uninitialized [-Wmaybe-uninitialized]
  227 |     internal::selfadjoint_matrix_vector_product<Scalar, Index, (internal::traits<ActualLhsTypeCleaned>::Flags&RowMajorBit) ? RowMajor : ColMajor,
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  228 |                                                 int(LhsUpLo), bool(LhsBlasTraits::NeedToConjugate), bool(RhsBlasTraits::NeedToConjugate)>::run
      |                                                 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  229 |       (
      |       ^
  230 |         lhs.rows(),                             // size
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  231 |         &lhs.coeffRef(0,0),  lhs.outerStride(), // lhs info
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  232 |         actualRhsPtr,                           // rhs info
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  233 |         actualDestPtr,                          // result info
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  234 |         actualAlpha                             // scale factor
      |         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  235 |       );
      |       ~
/usr/include/eigen3/Eigen/src/Core/products/SelfadjointMatrixVector.h:41:6: note: by argument 4 of type ‘const double *’ to ‘Eigen::internal::selfadjoint_matrix_vector_product<double, long, 0, 1, false, false, 0>::run(long, double const*, long, double const*, double*, double)’ declared here
   41 | void selfadjoint_matrix_vector_product<Scalar,Index,StorageOrder,UpLo,ConjugateLhs,ConjugateRhs,Version>::run(
      |      ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o -MF CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/gen3dstereohelper.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 14%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/perception.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/perception.cpp.o -MF CMakeFiles/openbabel.dir/stereo/perception.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/perception.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp: In function ‘bool OpenBabel::TetStereoToWedgeHash(OBMol&, std::map<OBBond*, OBStereo::BondDirection>&, std::map<OBBond*, long unsigned int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2795:5: warning: this ‘for’ clause does not guard... [-Wmisleading-indentation]
 2795 |     for (std::vector<OBGenericData*>::iterator data = vdata.begin(); data != vdata.end(); ++data)
      |     ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2951:7: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘for’
 2951 |       return true;
      |       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp: In function ‘void OpenBabel::StereoRefToImplicit(OBMol&, OBStereo::Ref)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2973:16: warning: ‘template<class _Operation> class std::binder1st’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 2973 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_atomId = std::bind1st (equal_to<OBStereo::Ref>(), atomId);
      |                ^~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441,
                 from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/stereo/stereo.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/stereo/tetranonplanar.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/stereo/tetrahedral.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:26:
/usr/include/c++/15/backward/binders.h:108:11: note: declared here
  108 |     class binder1st
      |           ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:2973:88: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<long unsigned int>; _Tp = long unsigned int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 2973 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_atomId = std::bind1st (equal_to<OBStereo::Ref>(), atomId);
      |                                                                           ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp: In function ‘void OpenBabel::ImplicitRefToStereo(OBMol&, OBStereo::Ref, OBStereo::Ref)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:3005:16: warning: ‘template<class _Operation> class std::binder1st’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 3005 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_implicitRef = std::bind1st (equal_to<OBStereo::Ref>(), (OBStereo::Ref) OBStereo::ImplicitRef);
      |                ^~~~~~~~~
/usr/include/c++/15/backward/binders.h:108:11: note: declared here
  108 |     class binder1st
      |           ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/stereo/perception.cpp:3005:93: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<long unsigned int>; _Tp = long unsigned int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
 3005 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_implicitRef = std::bind1st (equal_to<OBStereo::Ref>(), (OBStereo::Ref) OBStereo::ImplicitRef);
      |                                                                                ~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 14%] Linking CXX shared library ../lib64/libopenbabel.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/openbabel.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/openbabel.dir/link.d -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared -Wl,-soname,libopenbabel.so.7 -o ../lib64/libopenbabel.so.7.0.0 CMakeFiles/openbabel.dir/alias.cpp.o CMakeFiles/openbabel.dir/atom.cpp.o CMakeFiles/openbabel.dir/base.cpp.o CMakeFiles/openbabel.dir/bitvec.cpp.o CMakeFiles/openbabel.dir/bond.cpp.o CMakeFiles/openbabel.dir/bondtyper.cpp.o CMakeFiles/openbabel.dir/builder.cpp.o CMakeFiles/openbabel.dir/canon.cpp.o CMakeFiles/openbabel.dir/chains.cpp.o CMakeFiles/openbabel.dir/chargemodel.cpp.o CMakeFiles/openbabel.dir/data.cpp.o CMakeFiles/openbabel.dir/data_utilities.cpp.o CMakeFiles/openbabel.dir/descriptor.cpp.o CMakeFiles/openbabel.dir/elements.cpp.o CMakeFiles/openbabel.dir/fingerprint.cpp.o CMakeFiles/openbabel.dir/forcefield.cpp.o CMakeFiles/openbabel.dir/format.cpp.o CMakeFiles/openbabel.dir/generic.cpp.o CMakeFiles/openbabel.dir/graphsym.cpp.o CMakeFiles/openbabel.dir/grid.cpp.o CMakeFiles/openbabel.dir/griddata.cpp.o CMakeFiles/openbabel.dir/isomorphism.cpp.o CMakeFiles/openbabel.dir/kekulize.cpp.o CMakeFiles/openbabel.dir/locale.cpp.o CMakeFiles/openbabel.dir/matrix.cpp.o CMakeFiles/openbabel.dir/mcdlutil.cpp.o CMakeFiles/openbabel.dir/molchrg.cpp.o CMakeFiles/openbabel.dir/mol.cpp.o CMakeFiles/openbabel.dir/obconversion.cpp.o CMakeFiles/openbabel.dir/oberror.cpp.o CMakeFiles/openbabel.dir/obfunctions.cpp.o CMakeFiles/openbabel.dir/obiter.cpp.o CMakeFiles/openbabel.dir/obutil.cpp.o CMakeFiles/openbabel.dir/op.cpp.o CMakeFiles/openbabel.dir/parsmart.cpp.o CMakeFiles/openbabel.dir/patty.cpp.o CMakeFiles/openbabel.dir/phmodel.cpp.o CMakeFiles/openbabel.dir/plugin.cpp.o CMakeFiles/openbabel.dir/pointgroup.cpp.o CMakeFiles/openbabel.dir/query.cpp.o CMakeFiles/openbabel.dir/rand.cpp.o CMakeFiles/openbabel.dir/reactionfacade.cpp.o CMakeFiles/openbabel.dir/residue.cpp.o CMakeFiles/openbabel.dir/ring.cpp.o CMakeFiles/openbabel.dir/rotamer.cpp.o CMakeFiles/openbabel.dir/rotor.cpp.o CMakeFiles/openbabel.dir/spectrophore.cpp.o CMakeFiles/openbabel.dir/tautomer.cpp.o CMakeFiles/openbabel.dir/tokenst.cpp.o CMakeFiles/openbabel.dir/transform.cpp.o CMakeFiles/openbabel.dir/typer.cpp.o CMakeFiles/openbabel.dir/obmolecformat.cpp.o CMakeFiles/openbabel.dir/conformersearch.cpp.o CMakeFiles/openbabel.dir/confsearch.cpp.o CMakeFiles/openbabel.dir/distgeom.cpp.o CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o CMakeFiles/openbabel.dir/depict/depict.cpp.o CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o CMakeFiles/openbabel.dir/math/spacegroup.cpp.o CMakeFiles/openbabel.dir/math/transform3d.cpp.o CMakeFiles/openbabel.dir/math/vector3.cpp.o CMakeFiles/openbabel.dir/math/align.cpp.o CMakeFiles/openbabel.dir/stereo/stereo.cpp.o CMakeFiles/openbabel.dir/stereo/tetranonplanar.cpp.o CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o CMakeFiles/openbabel.dir/stereo/perception.cpp.o CMakeFiles/openbabel.dir/stereo/facade.cpp.o CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o  -lm -ldl -lz
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_symlink_library ../lib64/libopenbabel.so.7.0.0 ../lib64/libopenbabel.so.7 ../lib64/libopenbabel.so
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp: In function ‘CreateAtom’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:457:53: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=]
  457 |             AtomSpec *tmp = new AtomSpec[pat->aalloc];
      |                                                     ^
/usr/include/c++/15/new:140:26: note: in a call to allocation function ‘operator new []’ declared here
  140 | _GLIBCXX_NODISCARD void* operator new[](std::size_t)
      |                          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/parsmart.cpp:463:47: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=]
  463 |           pat->atom = new AtomSpec[pat->aalloc];
      |                                               ^
/usr/include/c++/15/new:140:26: note: in a call to allocation function ‘operator new []’ declared here
  140 | _GLIBCXX_NODISCARD void* operator new[](std::size_t)
      |                          ^
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 14%] Built target openbabel
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_descriptors.dir/build.make src/CMakeFiles/plugin_descriptors.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/CMakeFiles/plugin_fingerprints.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_fingerprints.dir/build.make src/CMakeFiles/plugin_fingerprints.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/CMakeFiles/plugin_descriptors.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_descriptors.dir/build.make src/CMakeFiles/plugin_descriptors.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 15%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cansmidescriptor.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cansmidescriptor.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cansmidescriptor.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 15%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cmpdfilter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cmpdfilter.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/cmpdfilter.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 15%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger2.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger2.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger2.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 16%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/groupcontrib.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/groupcontrib.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/groupcontrib.cpp:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/groupcontrib.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 16%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp: In member function ‘virtual bool OpenBabel::PatternFP::GetFingerprint(OpenBabel::OBBase*, std::vector<unsigned int>&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:109:13: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  109 |     while(n < _bitcount)
      |           ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp: In member function ‘virtual std::string OpenBabel::PatternFP::DescribeBits(std::vector<unsigned int>, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:258:34: warning: operation on ‘div’ may be undefined [-Wsequence-point]
  258 |         ngrp = (num + div -1)/div--; //rounds up
      |                               ~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/finger3.cpp:258:34: warning: operation on ‘div’ may be undefined [-Wsequence-point]
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 16%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/filters.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/filters.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 16%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/fingerecfp.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/fingerprint.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/fingerecfp.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/fingerprints/fingerecfp.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 16%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/inchidescriptor.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:134:19: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
  134 |     : public std::binary_function<const std::string&, const std::string&, bool>
      |                   ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h: In member function ‘bool OpenBabel::InChIFormat::InchiLess::operator()(const std::string&, const std::string&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |                                                    ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 16%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/smartsdescriptors.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/smartsdescriptors.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/oberror.h:26,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/descriptors/smartsdescriptors.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 16%] Linking CXX shared module ../lib64/plugin_fingerprints.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_fingerprints.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/plugin_fingerprints.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_fingerprints.so CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 16%] Built target plugin_fingerprints
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/CMakeFiles/plugin_forcefields.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 16%] Linking CXX shared module ../lib64/plugin_descriptors.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_descriptors.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/plugin_descriptors.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_descriptors.so CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 16%] Built target plugin_descriptors
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_ops.dir/build.make src/CMakeFiles/plugin_ops.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/CMakeFiles/plugin_ops.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_ops.dir/build.make src/CMakeFiles/plugin_ops.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 16%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addfilename.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addfilename.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addfilename.cpp:18:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 17%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addinindex.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addinindex.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addinindex.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 17%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addpolarh.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 17%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addnonpolarh.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addnonpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/addnonpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 17%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/canonical.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/canonical.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 16%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:572:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:572:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:587:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGaff::OBFFBondCalculationGaff(OpenBabel::OBFFBondCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:31:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGaff>::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGaff> >::construct<OpenBabel::OBFFBondCalculationGaff, OpenBabel::OBFFBondCalculationGaff const&>(std::allocator<OpenBabel::OBFFBondCalculationGaff>&, OpenBabel::OBFFBondCalculationGaff*, OpenBabel::OBFFBondCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGaff, std::allocator<OpenBabel::OBFFBondCalculationGaff> >::push_back(OpenBabel::OBFFBondCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:587:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:535:29: note: ‘bondcalc’ declared here
  535 |     OBFFBondCalculationGaff bondcalc;
      |                             ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:637:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:637:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:637:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:653:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:653:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGaff::OBFFAngleCalculationGaff(OpenBabel::OBFFAngleCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGaff>::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::construct<OpenBabel::OBFFAngleCalculationGaff, OpenBabel::OBFFAngleCalculationGaff const&>(std::allocator<OpenBabel::OBFFAngleCalculationGaff>&, OpenBabel::OBFFAngleCalculationGaff*, OpenBabel::OBFFAngleCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGaff, std::allocator<OpenBabel::OBFFAngleCalculationGaff> >::push_back(OpenBabel::OBFFAngleCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:653:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:596:30: note: ‘anglecalc’ declared here
  596 |     OBFFAngleCalculationGaff anglecalc;
      |                              ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 104B]’ may be used uninitialized [-Wmaybe-uninitialized]
   63 |   class OBFFVDWCalculationGaff : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 104B]’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 105B]’ may be used uninitialized [-Wmaybe-uninitialized]
   63 |   class OBFFVDWCalculationGaff : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGaff *)&vdwcalc + 105B]’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGaff::OBFFVDWCalculationGaff(OpenBabel::OBFFVDWCalculationGaff const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGaff>::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::construct<OpenBabel::OBFFVDWCalculationGaff, OpenBabel::OBFFVDWCalculationGaff const&>(std::allocator<OpenBabel::OBFFVDWCalculationGaff>&, OpenBabel::OBFFVDWCalculationGaff*, OpenBabel::OBFFVDWCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGaff, std::allocator<OpenBabel::OBFFVDWCalculationGaff> >::push_back(OpenBabel::OBFFVDWCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1003:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:63:9: warning: ‘MEM[(const struct OBFFVDWCalculationGaff &)&vdwcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   63 |   class OBFFVDWCalculationGaff : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:908:28: note: ‘MEM[(const struct OBFFVDWCalculationGaff &)&vdwcalc].rab’ was declared here
  908 |     OBFFVDWCalculationGaff vdwcalc;
      |                            ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1012:38: warning: ‘MEM[(const struct OBFFElectrostaticCalculationGaff &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
 1012 |     OBFFElectrostaticCalculationGaff elecalc;
      |                                      ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationGaff::OBFFElectrostaticCalculationGaff(OpenBabel::OBFFElectrostaticCalculationGaff const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.h:72:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationGaff>::construct<OpenBabel::OBFFElectrostaticCalculationGaff, OpenBabel::OBFFElectrostaticCalculationGaff const&>(OpenBabel::OBFFElectrostaticCalculationGaff*, OpenBabel::OBFFElectrostaticCalculationGaff const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff> >::construct<OpenBabel::OBFFElectrostaticCalculationGaff, OpenBabel::OBFFElectrostaticCalculationGaff const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff>&, OpenBabel::OBFFElectrostaticCalculationGaff*, OpenBabel::OBFFElectrostaticCalculationGaff const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationGaff, std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff> >::push_back(OpenBabel::OBFFElectrostaticCalculationGaff const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1054:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp: In member function ‘OpenBabel::OBForceFieldGaff::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldgaff.cpp:1012:38: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
 1012 |     OBFFElectrostaticCalculationGaff elecalc;
      |                                      ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 17%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp: In member function ‘virtual bool OpenBabel::OpChangeCell::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:88:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OpChangeCell::vc_val>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
   88 |   for(int i = 0; i < vcvs.size(); i++)
      |                  ~~^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/changecell.cpp:119:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OpChangeCell::vc_val>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  119 |     for(int i = 0; i < vcvs.size(); i++)
      |                    ~~^~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delpolarh.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delnonpolarh.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delnonpolarh.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/delnonpolarh.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen2D.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen2D.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen2D.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/fillUC.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/fillUC.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 18%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:477:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:477:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:492:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationGhemical::OBFFBondCalculationGhemical(OpenBabel::OBFFBondCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:29:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationGhemical>::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::construct<OpenBabel::OBFFBondCalculationGhemical, OpenBabel::OBFFBondCalculationGhemical const&>(std::allocator<OpenBabel::OBFFBondCalculationGhemical>&, OpenBabel::OBFFBondCalculationGhemical*, OpenBabel::OBFFBondCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationGhemical, std::allocator<OpenBabel::OBFFBondCalculationGhemical> >::push_back(OpenBabel::OBFFBondCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:492:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:435:33: note: ‘bondcalc’ declared here
  435 |     OBFFBondCalculationGhemical bondcalc;
      |                                 ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:542:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:542:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:542:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:558:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:558:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationGhemical::OBFFAngleCalculationGhemical(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:38:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationGhemical>::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::construct<OpenBabel::OBFFAngleCalculationGhemical, OpenBabel::OBFFAngleCalculationGhemical const&>(std::allocator<OpenBabel::OBFFAngleCalculationGhemical>&, OpenBabel::OBFFAngleCalculationGhemical*, OpenBabel::OBFFAngleCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationGhemical, std::allocator<OpenBabel::OBFFAngleCalculationGhemical> >::push_back(OpenBabel::OBFFAngleCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:558:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:501:34: note: ‘anglecalc’ declared here
  501 |     OBFFAngleCalculationGhemical anglecalc;
      |                                  ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: warning: ‘MEM[(const struct OBFFVDWCalculationGhemical &)&vdwcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ was declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘vdwcalc’ declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘vdwcalc’ declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 104B]’ may be used uninitialized [-Wmaybe-uninitialized]
   56 |   class OBFFVDWCalculationGhemical : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 104B]’ was declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9: warning: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 105B]’ may be used uninitialized [-Wmaybe-uninitialized]
   56 |   class OBFFVDWCalculationGhemical : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘MEM <unsigned char> [(struct OBFFVDWCalculationGhemical *)&vdwcalc + 105B]’ was declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::_M_realloc_append<OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘vdwcalc’ declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationGhemical::OBFFVDWCalculationGhemical(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:56:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationGhemical>::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::construct<OpenBabel::OBFFVDWCalculationGhemical, OpenBabel::OBFFVDWCalculationGhemical const&>(std::allocator<OpenBabel::OBFFVDWCalculationGhemical>&, OpenBabel::OBFFVDWCalculationGhemical*, OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::_M_realloc_append<OpenBabel::OBFFVDWCalculationGhemical const&>(OpenBabel::OBFFVDWCalculationGhemical const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationGhemical, std::allocator<OpenBabel::OBFFVDWCalculationGhemical> >::push_back(OpenBabel::OBFFVDWCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:778:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:683:32: note: ‘vdwcalc’ declared here
  683 |     OBFFVDWCalculationGhemical vdwcalc;
      |                                ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:787:42: warning: ‘MEM[(const struct OBFFElectrostaticCalculationGhemical &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
  787 |     OBFFElectrostaticCalculationGhemical elecalc;
      |                                          ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationGhemical::OBFFElectrostaticCalculationGhemical(OpenBabel::OBFFElectrostaticCalculationGhemical const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.h:71:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationGhemical>::construct<OpenBabel::OBFFElectrostaticCalculationGhemical, OpenBabel::OBFFElectrostaticCalculationGhemical const&>(OpenBabel::OBFFElectrostaticCalculationGhemical*, OpenBabel::OBFFElectrostaticCalculationGhemical const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical> >::construct<OpenBabel::OBFFElectrostaticCalculationGhemical, OpenBabel::OBFFElectrostaticCalculationGhemical const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical>&, OpenBabel::OBFFElectrostaticCalculationGhemical*, OpenBabel::OBFFElectrostaticCalculationGhemical const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationGhemical, std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical> >::push_back(OpenBabel::OBFFElectrostaticCalculationGhemical const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:829:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp: In member function ‘OpenBabel::OBForceFieldGhemical::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldghemical.cpp:787:42: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
  787 |     OBFFElectrostaticCalculationGhemical elecalc;
      |                                          ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp:29:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp: In member function ‘virtual bool OpenBabel::OpMinimize::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/forcefield.cpp:265:10: warning: unused variable ‘done’ [-Wunused-variable]
  265 |     bool done = true;
      |          ^~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 20%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen3d.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/gen3d.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 20%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/largest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/largest.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/largest.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/largest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/largest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/largest.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 20%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/loader.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/loader.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/loader.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/loader.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/loader.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/loader.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/loader.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 20%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/neutralize.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/neutralize.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 20%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp: In member function ‘virtual bool OpenBabel::OpSplit::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp:92:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   92 |   if(!pConv)
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opsplit.cpp:95:5: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   95 |     if(pConv->IsFirstInput())
      |     ^~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 19%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2798:32: warning: variable ‘bondtype1’ set but not used [-Wunused-but-set-variable]
 2798 |     int angletype, strbndtype, bondtype1, bondtype2;
      |                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2798:43: warning: variable ‘bondtype2’ set but not used [-Wunused-but-set-variable]
 2798 |     int angletype, strbndtype, bondtype1, bondtype2;
      |                                           ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Bond() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:289:40:   required from here
  289 |         return gradients ? E_Bond<true>() : E_Bond<false>();
      |                            ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:148:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  148 |     for (int i = 0; i < _bondcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Bond() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:289:58:   required from here
  289 |         return gradients ? E_Bond<true>() : E_Bond<false>();
      |                                             ~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:148:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  148 |     for (int i = 0; i < _bondcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Angle() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:295:41:   required from here
  295 |         return gradients ? E_Angle<true>() : E_Angle<false>();
      |                            ~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:263:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  263 |     for (int i = 0; i < _anglecalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Angle() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:295:60:   required from here
  295 |         return gradients ? E_Angle<true>() : E_Angle<false>();
      |                                              ~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:263:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  263 |     for (int i = 0; i < _anglecalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_StrBnd() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:301:42:   required from here
  301 |         return gradients ? E_StrBnd<true>() : E_StrBnd<false>();
      |                            ~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:376:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  376 |     for (int i = 0; i < _strbndcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_StrBnd() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:301:62:   required from here
  301 |         return gradients ? E_StrBnd<true>() : E_StrBnd<false>();
      |                                               ~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:376:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  376 |     for (int i = 0; i < _strbndcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Torsion() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:307:43:   required from here
  307 |         return gradients ? E_Torsion<true>() : E_Torsion<false>();
      |                            ~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:512:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFTorsionCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  512 |     for (int i = 0; i < _torsioncalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Torsion() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:307:64:   required from here
  307 |         return gradients ? E_Torsion<true>() : E_Torsion<false>();
      |                                                ~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:512:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFTorsionCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  512 |     for (int i = 0; i < _torsioncalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_OOP() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:313:39:   required from here
  313 |         return gradients ? E_OOP<true>() : E_OOP<false>();
      |                            ~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:610:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFOOPCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  610 |     for (int i = 0; i < _oopcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_OOP() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:313:56:   required from here
  313 |         return gradients ? E_OOP<true>() : E_OOP<false>();
      |                                            ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:610:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFOOPCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  610 |     for (int i = 0; i < _oopcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_VDW() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:319:39:   required from here
  319 |         return gradients ? E_VDW<true>() : E_VDW<false>();
      |                            ~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:707:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFVDWCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  707 |     for (int i = 0; i < _vdwcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_VDW() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:319:56:   required from here
  319 |         return gradients ? E_VDW<true>() : E_VDW<false>();
      |                                            ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:707:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFVDWCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  707 |     for (int i = 0; i < _vdwcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Electrostatic() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:325:49:   required from here
  325 |         return gradients ? E_Electrostatic<true>() : E_Electrostatic<false>();
      |                            ~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:793:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  793 |     for (int i = 0; i < _electrostaticcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In instantiation of ‘double OpenBabel::OBForceFieldMMFF94::E_Electrostatic() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:325:76:   required from here
  325 |         return gradients ? E_Electrostatic<true>() : E_Electrostatic<false>();
      |                                                      ~~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:793:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  793 |     for (int i = 0; i < _electrostaticcalculations.size(); ++i) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::PerceiveAromatic()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1451:30: warning: ‘index’ may be used uninitialized [-Wmaybe-uninitialized]
 1451 |       ringbond = _mol.GetBond(first_rj, index);
      |                  ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1388:12: note: ‘index’ was declared here
 1388 |     int n, index, ringsize, first_rj, prev_rj, pi_electrons, c60;
      |            ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1451:30: warning: ‘first_rj’ may be used uninitialized [-Wmaybe-uninitialized]
 1451 |       ringbond = _mol.GetBond(first_rj, index);
      |                  ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:1388:29: note: ‘first_rj’ was declared here
 1388 |     int n, index, ringsize, first_rj, prev_rj, pi_electrons, c60;
      |                             ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:44:
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2765:38:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2765:38:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2775:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationMMFF94::OBFFBondCalculationMMFF94(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationMMFF94>::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::construct<OpenBabel::OBFFBondCalculationMMFF94, OpenBabel::OBFFBondCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFBondCalculationMMFF94>&, OpenBabel::OBFFBondCalculationMMFF94*, OpenBabel::OBFFBondCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationMMFF94, std::allocator<OpenBabel::OBFFBondCalculationMMFF94> >::push_back(OpenBabel::OBFFBondCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2775:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2707:31: note: ‘bondcalc’ declared here
 2707 |     OBFFBondCalculationMMFF94 bondcalc;
      |                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: warning: ‘MEM[(const struct OBFFAngleCalculationMMFF94 &)&anglecalc].theta’ may be used uninitialized [-Wmaybe-uninitialized]
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: warning: ‘MEM[(const struct OBFFAngleCalculationMMFF94 &)&anglecalc].delta’ may be used uninitialized [-Wmaybe-uninitialized]
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ was declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFAngleCalculationMMFF94::OBFFAngleCalculationMMFF94(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationMMFF94>::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::construct<OpenBabel::OBFFAngleCalculationMMFF94, OpenBabel::OBFFAngleCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>&, OpenBabel::OBFFAngleCalculationMMFF94*, OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationMMFF94 const&>(OpenBabel::OBFFAngleCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationMMFF94, std::allocator<OpenBabel::OBFFAngleCalculationMMFF94> >::push_back(OpenBabel::OBFFAngleCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2931:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&anglecalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2796:32: note: ‘anglecalc’ declared here
 2796 |     OBFFAngleCalculationMMFF94 anglecalc;
      |                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_theta’ may be used uninitialized [-Wmaybe-uninitialized]
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_rab’ may be used uninitialized [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].delta_rbc’ may be used uninitialized [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].theta’ may be used uninitialized [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].energy’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&strbndcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’,
    inlined from ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16: warning: ‘MEM[(const struct OBFFCalculation3 &)&strbndcalc].force_c’ may be used uninitialized [-Wmaybe-uninitialized]
  168 |   class OBFPRT OBFFCalculation3: public OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].rbc’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].rbc’ was declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_ab_a’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_ab_b’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_bc_b’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_bc_c’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_abc_a’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_abc_b’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
In member function ‘OpenBabel::OBFFStrBndCalculationMMFF94::OBFFStrBndCalculationMMFF94(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFStrBndCalculationMMFF94>::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::construct<OpenBabel::OBFFStrBndCalculationMMFF94, OpenBabel::OBFFStrBndCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>&, OpenBabel::OBFFStrBndCalculationMMFF94*, OpenBabel::OBFFStrBndCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFStrBndCalculationMMFF94, std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94> >::push_back(OpenBabel::OBFFStrBndCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3074:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:49:9: warning: ‘MEM[(const struct OBFFStrBndCalculationMMFF94 &)&strbndcalc].force_abc_c’ may be used uninitialized [-Wmaybe-uninitialized]
   49 |   class OBFFStrBndCalculationMMFF94 : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:2797:33: note: ‘strbndcalc’ declared here
 2797 |     OBFFStrBndCalculationMMFF94 strbndcalc;
      |                                 ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3485:30: warning: ‘MEM[(const struct OBFFVDWCalculationMMFF94 &)&vdwcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
 3485 |     OBFFVDWCalculationMMFF94 vdwcalc;
      |                              ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFVDWCalculationMMFF94::OBFFVDWCalculationMMFF94(OpenBabel::OBFFVDWCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:78:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFVDWCalculationMMFF94>::construct<OpenBabel::OBFFVDWCalculationMMFF94, OpenBabel::OBFFVDWCalculationMMFF94 const&>(OpenBabel::OBFFVDWCalculationMMFF94*, OpenBabel::OBFFVDWCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFVDWCalculationMMFF94> >::construct<OpenBabel::OBFFVDWCalculationMMFF94, OpenBabel::OBFFVDWCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFVDWCalculationMMFF94>&, OpenBabel::OBFFVDWCalculationMMFF94*, OpenBabel::OBFFVDWCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFVDWCalculationMMFF94, std::allocator<OpenBabel::OBFFVDWCalculationMMFF94> >::push_back(OpenBabel::OBFFVDWCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3609:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3485:30: note: ‘MEM[(const struct OBFFCalculation2 &)&vdwcalc].energy’ was declared here
 3485 |     OBFFVDWCalculationMMFF94 vdwcalc;
      |                              ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3618:40: warning: ‘MEM[(const struct OBFFElectrostaticCalculationMMFF94 &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
 3618 |     OBFFElectrostaticCalculationMMFF94 elecalc;
      |                                        ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationMMFF94::OBFFElectrostaticCalculationMMFF94(OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.h:89:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94>::construct<OpenBabel::OBFFElectrostaticCalculationMMFF94, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&>(OpenBabel::OBFFElectrostaticCalculationMMFF94*, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94> >::construct<OpenBabel::OBFFElectrostaticCalculationMMFF94, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94>&, OpenBabel::OBFFElectrostaticCalculationMMFF94*, OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94, std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94> >::push_back(OpenBabel::OBFFElectrostaticCalculationMMFF94 const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3671:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:3618:40: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
 3618 |     OBFFElectrostaticCalculationMMFF94 elecalc;
      |                                        ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4329:13: warning: ‘etot’ may be used uninitialized [-Wmaybe-uninitialized]
 4329 |       delta = (Energy() - etot);
      |       ~~~~~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:12: note: ‘etot’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |            ^~~~
In file included from /usr/include/stdio.h:967,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4301:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘ebond’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:18: note: ‘ebond’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                  ^~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4305:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘eangle’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:25: note: ‘eangle’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                         ^~~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4313:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘eoop’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:33: note: ‘eoop’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                 ^~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4309:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘estbn’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:39: note: ‘estbn’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                       ^~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4317:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘etor’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:46: note: ‘etor’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                              ^~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4321:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘evdw’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:52: note: ‘evdw’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                                    ^~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBForceFieldMMFF94::Validate()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4325:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘eeq’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp: In member function ‘OpenBabel::OBForceFieldMMFF94::Validate()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefieldmmff94.cpp:4002:58: note: ‘eeq’ was declared here
 4002 |     double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq;
      |                                                          ^~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/optransform.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/optransform.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/optransform.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/parsmart.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/phmodel.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/optransform.h:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/partialcharges.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/partialcharges.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/readconformers.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/readconformers.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In instantiation of ‘void OpenBabel::OBFFVDWCalculationUFF::Compute() [with bool <anonymous> = true]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:478:37:   required from ‘double OpenBabel::OBForceFieldUFF::E_VDW() [with bool <anonymous> = true]’
  478 |       i->template Compute<gradients>();
      |       ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:193:37:   required from here
  193 |       return gradients ? E_VDW<true>() : E_VDW<false>();
      |                          ~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:431:14: warning: unused variable ‘ab’ [-Wunused-variable]
  431 |       double ab[3];
      |              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In instantiation of ‘void OpenBabel::OBFFVDWCalculationUFF::Compute() [with bool <anonymous> = false]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:478:37:   required from ‘double OpenBabel::OBForceFieldUFF::E_VDW() [with bool <anonymous> = false]’
  478 |       i->template Compute<gradients>();
      |       ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:193:54:   required from here
  193 |       return gradients ? E_VDW<true>() : E_VDW<false>();
      |                                          ~~~~~~~~~~~~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:431:14: warning: unused variable ‘ab’ [-Wunused-variable]
  431 |       double ab[3];
      |              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: warning: ‘MEM[(const struct OBFFElectrostaticCalculationUFF &)&elecalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].energy’ was declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFElectrostaticCalculationUFF::OBFFElectrostaticCalculationUFF(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:82:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFElectrostaticCalculationUFF>::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::construct<OpenBabel::OBFFElectrostaticCalculationUFF, OpenBabel::OBFFElectrostaticCalculationUFF const&>(std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>&, OpenBabel::OBFFElectrostaticCalculationUFF*, OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFElectrostaticCalculationUFF const&>(OpenBabel::OBFFElectrostaticCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFElectrostaticCalculationUFF, std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF> >::push_back(OpenBabel::OBFFElectrostaticCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1585:45:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&elecalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupElectrostatics()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1534:37: note: ‘elecalc’ declared here
 1534 |     OBFFElectrostaticCalculationUFF elecalc;
      |                                     ^~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].energy’ was declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9: warning: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].rab’ may be used uninitialized [-Wmaybe-uninitialized]
   30 |   class OBFFBondCalculationUFF : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].rab’ was declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9: warning: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].delta’ may be used uninitialized [-Wmaybe-uninitialized]
   30 |   class OBFFBondCalculationUFF : public OBFFCalculation2
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘MEM[(const struct OBFFBondCalculationUFF &)&bondcalc].delta’ was declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_a’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFBondCalculationUFF::OBFFBondCalculationUFF(OpenBabel::OBFFBondCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:30:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFBondCalculationUFF>::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFBondCalculationUFF> >::construct<OpenBabel::OBFFBondCalculationUFF, OpenBabel::OBFFBondCalculationUFF const&>(std::allocator<OpenBabel::OBFFBondCalculationUFF>&, OpenBabel::OBFFBondCalculationUFF*, OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFBondCalculationUFF const&>(OpenBabel::OBFFBondCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFBondCalculationUFF, std::allocator<OpenBabel::OBFFBondCalculationUFF> >::push_back(OpenBabel::OBFFBondCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:969:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&bondcalc].force_b’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:745:28: note: ‘bondcalc’ declared here
  745 |     OBFFBondCalculationUFF bondcalc;
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].theta’ may be used uninitialized [-Wmaybe-uninitialized]
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].delta’ may be used uninitialized [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rij’ may be used uninitialized [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rjk’ may be used uninitialized [-Wmaybe-uninitialized]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].rik’ may be used uninitialized [-Wmaybe-uninitialized]
In member function ‘OpenBabel::OBFFCalculation2::OBFFCalculation2(OpenBabel::OBFFCalculation2 const&)’,
    inlined from ‘OpenBabel::OBFFCalculation3::OBFFCalculation3(OpenBabel::OBFFCalculation3 const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:168:16,
    inlined from ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:137:16: warning: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ may be used uninitialized [-Wmaybe-uninitialized]
  137 |   class OBFPRT OBFFCalculation2
      |                ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFCalculation2 &)&anglecalc].energy’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].at’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM[(const struct OBFFAngleCalculationUFF &)&anglecalc].at’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1420:30,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘MEM <unsigned char> [(struct OBFFAngleCalculationUFF *)&anglecalc + 156B]’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘MEM <unsigned char> [(struct OBFFAngleCalculationUFF *)&anglecalc + 156B]’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
In member function ‘OpenBabel::OBFFAngleCalculationUFF::OBFFAngleCalculationUFF(OpenBabel::OBFFAngleCalculationUFF const&)’,
    inlined from ‘std::__new_allocator<OpenBabel::OBFFAngleCalculationUFF>::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/new_allocator.h:191:4,
    inlined from ‘std::allocator_traits<std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::construct<OpenBabel::OBFFAngleCalculationUFF, OpenBabel::OBFFAngleCalculationUFF const&>(std::allocator<OpenBabel::OBFFAngleCalculationUFF>&, OpenBabel::OBFFAngleCalculationUFF*, OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/alloc_traits.h:674:17,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::_M_realloc_append<OpenBabel::OBFFAngleCalculationUFF const&>(OpenBabel::OBFFAngleCalculationUFF const&)void’ at /usr/include/c++/15/bits/vector.tcc:586:26,
    inlined from ‘std::vector<OpenBabel::OBFFAngleCalculationUFF, std::allocator<OpenBabel::OBFFAngleCalculationUFF> >::push_back(OpenBabel::OBFFAngleCalculationUFF const&)’ at /usr/include/c++/15/bits/stl_vector.h:1426:21,
    inlined from ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:1186:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.h:39:9: warning: ‘anglecalc.n’ may be used uninitialized [-Wmaybe-uninitialized]
   39 |   class OBFFAngleCalculationUFF : public OBFFCalculation3
      |         ^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp: In member function ‘OpenBabel::OBForceFieldUFF::SetupCalculations()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/forcefields/forcefielduff.cpp:746:29: note: ‘anglecalc.n’ was declared here
  746 |     OBFFAngleCalculationUFF anglecalc;
      |                             ^~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/sort.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/sort.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/sort.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/sort.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/sort.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/sort.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/sort.cpp:32:28: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   32 | struct Order : public std::binary_function<std::pair<OBBase*,T>, std::pair<OBBase*,T>, bool>
      |                            ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 21%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.h:15,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/parsmart.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp: In member function ‘virtual bool OpenBabel::OpNewS::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opisomorph.cpp:303:28: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  303 |     if(pmol->NumHvyAtoms() != nPatternAtoms)
      |        ~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/ophighlight.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/ophighlight.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/parsmart.h:23,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/ophighlight.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/xout.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/xout.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/xout.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/xout.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/xout.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/xout.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:29:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp: In member function ‘virtual bool OpenBabel::OpConformer::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:287:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  287 |             if (p1>pmol->NumAtoms() || p2>pmol->NumAtoms()){
      |                 ~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/conformer.cpp:287:42: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  287 |             if (p1>pmol->NumAtoms() || p2>pmol->NumAtoms()){
      |                                        ~~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opalign.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opalign.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opalign.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_ops_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp: In member function ‘void OpenBabel::OpConfab::Run(OpenBabel::OBConversion*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/opconfab.cpp:167:14: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  167 |     for (; c < mol.NumConformers(); ++c) {
      |            ~~^~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 21%] Linking CXX shared module ../lib64/plugin_forcefields.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_forcefields.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/plugin_forcefields.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_forcefields.so CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 23%] Built target plugin_forcefields
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/CMakeFiles/plugin_charges.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 23%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eem.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/eem.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/eem.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/eem.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eem.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eem.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eem.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 23%] Linking CXX shared module ../lib64/plugin_ops.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_ops.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/plugin_ops.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_ops.so CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o CMakeFiles/plugin_ops.dir/ops/largest.cpp.o CMakeFiles/plugin_ops.dir/ops/loader.cpp.o CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o CMakeFiles/plugin_ops.dir/ops/sort.cpp.o CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o CMakeFiles/plugin_ops.dir/ops/xout.cpp.o CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 24%] Built target plugin_ops
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 24%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/gasteiger.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/gasteiger.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/usr/bin/make  -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/smilesformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 24%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/none.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/none.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/none.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/none.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/none.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/none.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 24%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/mmff94.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/mmff94.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 24%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp: In member function ‘virtual bool OpenBabel::FromFileCharges::ComputeCharges(OpenBabel::OBMol&, const char*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/fromfile.cpp:102:36: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  102 |                 for ( int i = 1; i <= mol.NumAtoms(); i++)
      |                                  ~~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 24%] Building CXX object src/formats/CMakeFiles/smilesformat.dir/smilesformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsmilesformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/smilesformat.dir/smilesformat.cpp.o -MF CMakeFiles/smilesformat.dir/smilesformat.cpp.o.d -o CMakeFiles/smilesformat.dir/smilesformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In constructor ‘OpenBabel::OBSmilesParser::OBSmilesParser(bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:291:10: warning: ‘OpenBabel::OBSmilesParser::_preserve_aromaticity’ will be initialized after [-Wreorder]
  291 |     bool _preserve_aromaticity;
      |          ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:289:9: warning:   ‘int OpenBabel::OBSmilesParser::_rxnrole’ [-Wreorder]
  289 |     int _rxnrole;
      |         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:318:5: warning:   when initialized here [-Wreorder]
  318 |     OBSmilesParser(bool preserve_aromaticity=false): _preserve_aromaticity(preserve_aromaticity), _rxnrole(1) { }
      |     ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘bool OpenBabel::OBSmilesParser::ParseSmiles(OpenBabel::OBMol&, const std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:655:15: warning: variable ‘atom’ set but not used [-Wunused-but-set-variable]
  655 |       OBAtom* atom;
      |               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘int OpenBabel::OBSmilesParser::NumConnections(OpenBabel::OBAtom*, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2200:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 2200 |     if (idx-1 < _hcount.size() && _hcount[idx-1] > 0)
      |         ~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘bool OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*>&, std::vector<unsigned int>&, std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2685:10: warning: variable ‘symbol’ set but not used [-Wunused-but-set-variable]
 2685 |     char symbol[10];
      |          ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2689:10: warning: unused variable ‘normalValence’ [-Wunused-variable]
 2689 |     bool normalValence = true;
      |          ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2690:10: warning: unused variable ‘writeExplicitHydrogen’ [-Wunused-variable]
 2690 |     bool writeExplicitHydrogen = false;
      |          ^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘bool OpenBabel::OBMol2Cansmi::BuildCanonTree(OpenBabel::OBMol&, OpenBabel::OBBitVec&, std::vector<unsigned int>&, OpenBabel::OBCanSmiNode*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3139:22: warning: unused variable ‘bond_order’ [-Wunused-variable]
 3139 |         unsigned int bond_order = bond->GetBondOrder();
      |                      ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3134:20: warning: unused variable ‘nbr_bond_order’ [-Wunused-variable]
 3134 |       unsigned int nbr_bond_order = nbr_bond->GetBondOrder();
      |                    ^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘std::vector<OpenBabel::OBBondClosureInfo> OpenBabel::OBMol2Cansmi::GetCanonClosureDigits(OpenBabel::OBAtom*, OpenBabel::OBBitVec&, std::vector<unsigned int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3286:11: warning: unused variable ‘bo’ [-Wunused-variable]
 3286 |       int bo = (bond1->IsAromatic())? 1 : bond1->GetBondOrder();  // CJ: why was this line added?  bo is never used?
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘void OpenBabel::OBMol2Cansmi::CreateFragCansmiString(OpenBabel::OBMol&, OpenBabel::OBBitVec&, std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3899:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3899 |         for (int i=0; i<atom_order.size(); ++i)
      |                       ~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3905:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<unsigned int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 3905 |         for (int i=0; i<canonical_order.size(); ++i)
      |                       ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std::allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2865:35: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
 2865 |           snprintf(tcount, 10, "%d", hcount);
      |                                   ^
In file included from /usr/include/stdio.h:967,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std:make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
:allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2865:19:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 2 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std::allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2857:35: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
 2857 |           snprintf(tcount, 10, "%d", i);
      |                                   ^
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*, std::allocator<OpenBabel::OBAtom*> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:2857:19:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 2 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp: In member function ‘OpenBabel::OBMol2Cansmi::ToCansmilesString(OpenBabel::OBCanSmiNode*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&, OpenBabel::OBBitVec&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3531:32: warning: ‘%d’ directive output may be truncated writing between 1 and 11 bytes into a region of size 8 [-Wformat-truncation=]
 3531 |           snprintf(digits, 8, "%d", bci->ringdigit);
      |                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3531:31: note: directive argument in the range [-2147483648, 99]
 3531 |           snprintf(digits, 8, "%d", bci->ringdigit);
      |                               ^~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::OBMol2Cansmi::ToCansmilesString(OpenBabel::OBCanSmiNode*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&, OpenBabel::OBBitVec&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smilesformat.cpp:3531:19:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 2 and 12 bytes into a destination of size 8
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 24%] Linking CXX shared module ../../lib64/smilesformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smilesformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/smilesformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/smilesformat.so CMakeFiles/smilesformat.dir/smilesformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 24%] Built target smilesformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mdlformat.dir/build.make src/formats/CMakeFiles/mdlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mdlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mdlformat.dir/build.make src/formats/CMakeFiles/mdlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 24%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eqeq.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eqeq.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/eqeq.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 24%] Building CXX object src/formats/CMakeFiles/mdlformat.dir/mdlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmdlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mdlformat.dir/mdlformat.cpp.o -MF CMakeFiles/mdlformat.dir/mdlformat.cpp.o.d -o CMakeFiles/mdlformat.dir/mdlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h: In function ‘unsigned int MDLValence(unsigned int, int, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:51:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   51 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:51:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   51 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:64:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   64 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:64:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   64 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:77:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   77 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:77:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   77 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:90:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
   90 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:90:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
   90 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:103:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  103 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:103:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  103 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:116:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  116 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:116:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  116 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:119:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  119 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:119:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  119 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:121:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  121 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:121:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  121 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:134:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  134 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:134:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  134 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:137:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  137 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:137:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  137 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:139:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  139 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:139:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  139 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:152:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  152 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:152:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  152 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:155:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  155 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:155:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  155 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:157:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  157 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:157:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  157 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:170:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  170 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:170:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  170 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:173:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  173 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:173:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  173 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:175:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  175 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:175:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  175 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:188:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  188 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:188:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  188 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:191:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  191 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:191:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  191 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:193:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  193 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:193:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  193 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:206:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  206 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:206:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  206 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:209:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  209 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:209:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  209 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:211:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  211 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:211:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  211 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:223:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  223 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:223:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  223 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:226:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  226 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:226:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  226 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:228:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  228 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:228:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  228 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:240:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  240 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:240:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  240 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:243:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  243 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:243:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  243 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:245:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  245 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:245:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  245 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:257:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  257 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:257:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  257 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:260:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  260 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:260:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  260 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:262:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  262 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:262:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  262 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:274:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  274 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:274:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  274 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:277:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  277 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:277:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  277 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:279:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  279 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:279:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  279 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:291:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  291 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:291:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  291 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:294:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  294 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:294:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  294 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:296:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  296 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:296:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  296 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:298:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  298 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:298:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  298 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:310:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  310 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:310:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  310 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:313:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  313 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:313:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  313 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:315:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  315 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:315:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  315 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:317:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  317 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:317:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  317 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:329:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  329 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:329:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  329 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:332:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  332 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:332:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  332 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:334:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  334 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:334:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  334 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:336:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  336 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:336:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  336 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:348:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  348 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:348:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  348 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:351:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  351 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:351:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  351 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:353:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  353 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:353:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  353 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:355:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  355 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:355:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  355 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:367:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  367 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:367:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  367 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:370:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  370 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:370:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  370 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:372:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  372 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:372:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  372 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:374:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  374 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:374:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  374 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:385:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  385 |               if (val <= 7) return 7;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:385:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  385 |               if (val <= 7) return 7;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:388:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  388 |               if (val <= 6) return 6;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:388:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  388 |               if (val <= 6) return 6;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:390:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  390 |               if (val <= 5) return 5;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:390:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  390 |               if (val <= 5) return 5;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:392:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  392 |               if (val <= 4) return 4;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:392:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  392 |               if (val <= 4) return 4;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:394:15: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  394 |               if (val <= 3) return 3;  break;
      |               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:394:40: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  394 |               if (val <= 3) return 3;  break;
      |                                        ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h: In function ‘unsigned int HYDValence(unsigned int, int, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlvalence.h:416:11: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  416 |   if (val > impval) {
      |       ~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp: In member function ‘bool OpenBabel::MDLFormat::ReadAtomBlock(std::istream&, OpenBabel::OBMol&, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1488:10: warning: unused variable ‘chiralWatch’ [-Wunused-variable]
 1488 |     bool chiralWatch=false;
      |          ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp: In member function ‘OpenBabel::MDLFormat::GetTimeDate[abi:cxx11]()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1709:27: warning: ‘%02d’ directive output may be truncated writing between 2 and 11 bytes into a region of size between 0 and 9 [-Wformat-truncation=]
 1709 |     snprintf(td, 11, "%02d%02d%02d%02d%02d", ts->tm_mon+1, ts->tm_mday,
      |                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1709:22: note: directive argument in the range [-2147483648, 2147483547]
 1709 |     snprintf(td, 11, "%02d%02d%02d%02d%02d", ts->tm_mon+1, ts->tm_mday,
      |                      ^~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/stdio.h:967,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/iomanip:47,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:27:
In function ‘snprintf’,
    inlined from ‘OpenBabel::MDLFormat::GetTimeDate[abi:cxx11]()’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1709:13:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 11 and 56 bytes into a destination of size 11
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp: In member function ‘OpenBabel::MDLFormat::CisTransFromUpDown(OpenBabel::OBMol*, std::map<OpenBabel::OBBond*, OpenBabel::OBStereo::BondDirection, std::less<OpenBabel::OBBond*>, std::allocator<std::pair<OpenBabel::OBBond* const, OpenBabel::OBStereo::BondDirection> > >*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:2022:7: warning: ‘a1_stereo’ may be used uninitialized [-Wmaybe-uninitialized]
 2022 |       if (a1_stereo == a2_stereo)
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1987:31: note: ‘a1_stereo’ was declared here
 1987 |       OBStereo::BondDirection a1_stereo, a2_stereo;
      |                               ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:2022:7: warning: ‘a2_stereo’ may be used uninitialized [-Wmaybe-uninitialized]
 2022 |       if (a1_stereo == a2_stereo)
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdlformat.cpp:1987:42: note: ‘a2_stereo’ was declared here
 1987 |       OBStereo::BondDirection a1_stereo, a2_stereo;
      |                                          ^~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Linking CXX shared module ../../lib64/mdlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mdlformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mdlformat.so CMakeFiles/mdlformat.dir/mdlformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Built target mdlformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Building CXX object src/formats/CMakeFiles/mol2format.dir/mol2format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmol2format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mol2format.dir/mol2format.cpp.o -MF CMakeFiles/mol2format.dir/mol2format.cpp.o.d -o CMakeFiles/mol2format.dir/mol2format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp: In member function ‘virtual bool OpenBabel::MOL2Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:422:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  422 |               if(aid <= mol.NumAtoms())
      |                  ~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp: In member function ‘virtual int OpenBabel::MOL2Format::SkipObjects(int, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:785:10: warning: unused variable ‘ch’ [-Wunused-variable]
  785 |     char ch = ifs.peek();
      |          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mol2format.cpp:86:15: warning: ‘bool OpenBabel::IsThiocarboxylSulfur(OBAtom*)’ defined but not used [-Wunused-function]
   86 |   static bool IsThiocarboxylSulfur(OBAtom* queryatom)
      |               ^~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Linking CXX shared module ../../lib64/mol2format.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mol2format.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mol2format.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mol2format.so CMakeFiles/mol2format.dir/mol2format.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Built target mol2format
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pdbformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 26%] Building CXX object src/formats/CMakeFiles/pdbformat.dir/pdbformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpdbformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pdbformat.dir/pdbformat.cpp.o -MF CMakeFiles/pdbformat.dir/pdbformat.cpp.o.d -o CMakeFiles/pdbformat.dir/pdbformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘virtual bool OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:615:26: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘const int’ [-Wsign-compare]
  615 |               if (origin == pUC->GetSpaceGroup()->HEXAGONAL_ORIGIN)
      |                   ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:684:58: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  684 |             snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                          ^
In file included from /usr/include/stdio.h:967,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:684:21:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:702:70: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  702 |                     snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                                      ^
In function ‘snprintf’,
    inlined from ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:702:29:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:739:35: warning: ‘%+d’ directive output may be truncated writing between 2 and 6 bytes into a region of size 3 [-Wformat-truncation=]
  739 |             snprintf(scharge, 3, "%+d", charge);
      |                                   ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:739:34: note: directive argument in the range [-32768, 32767]
  739 |             snprintf(scharge, 3, "%+d", charge);
      |                                  ^~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:739:21:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 3 and 7 bytes into a destination of size 3
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp: In member function ‘OpenBabel::PDBFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32761 [-Wstringop-truncation]
  303 |     strncpy(integerBuffer, buffer+columnAsSpecifiedInPDB-1, 5);
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32756 [-Wstringop-truncation]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32751 [-Wstringop-truncation]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32746 [-Wstringop-truncation]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbformat.cpp:303:12: warning: ‘strncpy’ output may be truncated copying 5 bytes from a string of length 32741 [-Wstringop-truncation]
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:341,
                 from /usr/include/eigen3/Eigen/LU:11,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qeq.h:29:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h: In function ‘Eigen::internal::trmv_selector<6, 1>::run<Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const>, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const>, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> > >(Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const> const&, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const> const&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >::Scalar const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:332:12: warning: ‘result_47’ may be used uninitialized [-Wmaybe-uninitialized]
  327 |     internal::triangular_matrix_vector_product
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  328 |       <Index,Mode,
      |       ~~~~~~~~~~~~
  329 |        LhsScalar, LhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  330 |        RhsScalar, RhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  331 |        RowMajor>
      |        ~~~~~~~~~
  332 |       ::run(actualLhs.rows(),actualLhs.cols(),
      |       ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  333 |             actualLhs.data(),actualLhs.outerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  334 |             actualRhsPtr,1,
      |             ~~~~~~~~~~~~~~~
  335 |             dest.data(),dest.innerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  336 |             actualAlpha);
      |             ~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:105:24: note: by argument 5 of type ‘const double *’ to ‘Eigen::internal::triangular_matrix_vector_product<long, 6, double, false, double, false, 1, 0>::run(long, long, double const*, long, double const*, long, double*, long, double const&) [clone .constprop.0]’ declared here
  105 | EIGEN_DONT_INLINE void triangular_matrix_vector_product<Index,Mode,LhsScalar,ConjLhs,RhsScalar,ConjRhs,RowMajor,Version>
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 26%] Linking CXX shared module ../../lib64/pdbformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pdbformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pdbformat.so CMakeFiles/pdbformat.dir/pdbformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 26%] Built target pdbformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 26%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/inchiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/inchiformat.dir/inchiformat.cpp.o -MF CMakeFiles/inchiformat.dir/inchiformat.cpp.o.d -o CMakeFiles/inchiformat.dir/inchiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:134:19: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
  134 |     : public std::binary_function<const std::string&, const std::string&, bool>
      |                   ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h: In member function ‘bool OpenBabel::InChIFormat::InchiLess::operator()(const std::string&, const std::string&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp: In member function ‘virtual bool OpenBabel::InChIFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:193:52: warning: comparison of integer expressions of different signedness: ‘long unsigned int’ and ‘AT_NUM’ {aka ‘short int’} [-Wsign-compare]
  193 |         if ( !(a->GetId() == ct->end || a->GetId() == stereo.neighbor[0] ) ) {
      |                                         ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/inchiformat.cpp:199:54: warning: comparison of integer expressions of different signedness: ‘long unsigned int’ and ‘AT_NUM’ {aka ‘short int’} [-Wsign-compare]
  199 |         if ( !(b->GetId() == ct->begin || b->GetId() == stereo.neighbor[3] ) ) {
      |                                           ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 27%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/getinchi.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/inchiformat.dir/getinchi.cpp.o -MF CMakeFiles/inchiformat.dir/getinchi.cpp.o.d -o CMakeFiles/inchiformat.dir/getinchi.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/getinchi.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 27%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o -MF CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o.d -o CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/unique.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/unique.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/op.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/ops/unique.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:134:19: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
  134 |     : public std::binary_function<const std::string&, const std::string&, bool>
      |                   ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h: In member function ‘bool OpenBabel::InChIFormat::InchiLess::operator()(const std::string&, const std::string&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:149:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  149 |             while(p1!=s1.end() && isdigit(*p1++)); --p1;
      |                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:13: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |             ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/inchiformat.h:154:52: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  154 |             while(p2!=s2.end() && isdigit(*p2++)); --p2;
      |                                                    ^~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 27%] Linking CXX shared module ../../lib64/inchiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/inchiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/inchiformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/inchiformat.so CMakeFiles/inchiformat.dir/inchiformat.cpp.o CMakeFiles/inchiformat.dir/getinchi.cpp.o CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 27%] Built target inchiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/asciiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 28%] Building CXX object src/formats/CMakeFiles/asciiformat.dir/asciiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dasciiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/asciiformat.dir/asciiformat.cpp.o -MF CMakeFiles/asciiformat.dir/asciiformat.cpp.o.d -o CMakeFiles/asciiformat.dir/asciiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/asciiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/asciiformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 28%] Building CXX object src/formats/CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dasciiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o -MF CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o.d -o CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/asciipainter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/asciipainter.cpp: In member function ‘virtual void OpenBabel::ASCIIPainter::DrawText(double, double, const std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/asciipainter.cpp:118:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  118 |     for (int i=0; i<text.size(); ++i) {
      |                   ~^~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 28%] Linking CXX shared module ../../lib64/asciiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/asciiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/asciiformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/asciiformat.so CMakeFiles/asciiformat.dir/asciiformat.cpp.o CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 28%] Built target asciiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/copyformat.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Building CXX object src/formats/CMakeFiles/copyformat.dir/copyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcopyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/copyformat.dir/copyformat.cpp.o -MF CMakeFiles/copyformat.dir/copyformat.cpp.o.d -o CMakeFiles/copyformat.dir/copyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/copyformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/copyformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Linking CXX shared module ../../lib64/copyformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/copyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/copyformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/copyformat.so CMakeFiles/copyformat.dir/copyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Built target copyformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/MNAformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Building CXX object src/formats/CMakeFiles/MNAformat.dir/MNAformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMNAformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/MNAformat.dir/MNAformat.cpp.o -MF CMakeFiles/MNAformat.dir/MNAformat.cpp.o.d -o CMakeFiles/MNAformat.dir/MNAformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MNAformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MNAformat.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Linking CXX shared module ../../lib64/MNAformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/MNAformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/MNAformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/MNAformat.so CMakeFiles/MNAformat.dir/MNAformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Built target MNAformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/molreport.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Building CXX object src/formats/CMakeFiles/molreport.dir/molreport.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmolreport_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/molreport.dir/molreport.cpp.o -MF CMakeFiles/molreport.dir/molreport.cpp.o.d -o CMakeFiles/molreport.dir/molreport.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molreport.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molreport.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Linking CXX shared module ../../lib64/molreport.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molreport.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/molreport.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/molreport.so CMakeFiles/molreport.dir/molreport.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Built target molreport
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/nulformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 30%] Building CXX object src/formats/CMakeFiles/nulformat.dir/nulformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dnulformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/nulformat.dir/nulformat.cpp.o -MF CMakeFiles/nulformat.dir/nulformat.cpp.o.d -o CMakeFiles/nulformat.dir/nulformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nulformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nulformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 30%] Linking CXX shared module ../../lib64/nulformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/nulformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/nulformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/nulformat.so CMakeFiles/nulformat.dir/nulformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 30%] Built target nulformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/painterformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 31%] Building CXX object src/formats/CMakeFiles/painterformat.dir/painterformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpainterformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/painterformat.dir/painterformat.cpp.o -MF CMakeFiles/painterformat.dir/painterformat.cpp.o.d -o CMakeFiles/painterformat.dir/painterformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp: In member function ‘virtual bool OpenBabel::PainterFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/painterformat.cpp:114:12: warning: unused variable ‘ofs’ [-Wunused-variable]
  114 |   ostream& ofs = *pConv->GetOutStream();
      |            ^~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 31%] Building CXX object src/formats/CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpainterformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o -MF CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o.d -o CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/commandpainter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 31%] Linking CXX shared module ../../lib64/painterformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/painterformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/painterformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/painterformat.so CMakeFiles/painterformat.dir/painterformat.cpp.o CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 31%] Built target painterformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/povrayformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 26%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dplugin_charges_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/chargemodel.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/dlhandler.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/eigen3/Eigen/Core:341,
                 from /usr/include/eigen3/Eigen/LU:11,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/charges/qtpie.h:29:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h: In function ‘Eigen::internal::trmv_selector<6, 1>::run<Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const>, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const>, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> > >(Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, -1, false> const> const&, Eigen::Transpose<Eigen::CwiseBinaryOp<Eigen::internal::scalar_product_op<double, double>, Eigen::CwiseNullaryOp<Eigen::internal::scalar_constant_op<double>, Eigen::Matrix<double, 1, -1, 1, 1, -1> const> const, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 0, -1, -1>, -1, -1, false> const, -1, 1, true> const, -1, 1, false> const> const> const> const&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >&, Eigen::Transpose<Eigen::Block<Eigen::Block<Eigen::Matrix<double, -1, -1, 1, -1, -1>, 1, -1, true>, 1, -1, false> >::Scalar const&)void [clone .isra.0]’:
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:332:12: warning: ‘result_47’ may be used uninitialized [-Wmaybe-uninitialized]
  327 |     internal::triangular_matrix_vector_product
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  328 |       <Index,Mode,
      |       ~~~~~~~~~~~~
  329 |        LhsScalar, LhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  330 |        RhsScalar, RhsBlasTraits::NeedToConjugate,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  331 |        RowMajor>
      |        ~~~~~~~~~
  332 |       ::run(actualLhs.rows(),actualLhs.cols(),
      |       ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  333 |             actualLhs.data(),actualLhs.outerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  334 |             actualRhsPtr,1,
      |             ~~~~~~~~~~~~~~~
  335 |             dest.data(),dest.innerStride(),
      |             ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  336 |             actualAlpha);
      |             ~~~~~~~~~~~~
/usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:105:24: note: by argument 5 of type ‘const double *’ to ‘Eigen::internal::triangular_matrix_vector_product<long, 6, double, false, double, false, 1, 0>::run(long, long, double const*, long, double const*, long, double*, long, double const&) [clone .constprop.0]’ declared here
  105 | EIGEN_DONT_INLINE void triangular_matrix_vector_product<Index,Mode,LhsScalar,ConjLhs,RhsScalar,ConjRhs,RowMajor,Version>
      |                        ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Building CXX object src/formats/CMakeFiles/povrayformat.dir/povrayformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpovrayformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/povrayformat.dir/povrayformat.cpp.o -MF CMakeFiles/povrayformat.dir/povrayformat.cpp.o.d -o CMakeFiles/povrayformat.dir/povrayformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp: In member function ‘void OpenBabel::PovrayFormat::OutputHeader(std::ostream&, OpenBabel::OBMol&, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:173:12: warning: variable ‘time_res’ set but not used [-Wunused-but-set-variable]
  173 |     size_t time_res;                             /* Result of strftime                */
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp: In function ‘void OpenBabel::OutputCSTBonds(std::ostream&, OBMol&, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:526:78: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<char>; _Tp = char]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  526 |         bond_type.erase(remove_if(bond_type.begin(), bond_type.end(), bind1st(equal_to<char>(), '.')), bond_type.end());
      |                                                                       ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:587:78: warning: ‘std::binder1st<_Operation> std::bind1st(const _Operation&, const _Tp&) [with _Operation = equal_to<char>; _Tp = char]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  587 |         bond_type.erase(remove_if(bond_type.begin(), bond_type.end(), bind1st(equal_to<char>(), '.')), bond_type.end());
      |                                                                       ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:136:5: note: declared here
  136 |     bind1st(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp: In member function ‘virtual bool OpenBabel::PovrayFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/povrayformat.cpp:807:17: warning: unused variable ‘title’ [-Wunused-variable]
  807 |     const char* title = pmol->GetTitle();
      |                 ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Linking CXX shared module ../../lib64/povrayformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/povrayformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/povrayformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/povrayformat.so CMakeFiles/povrayformat.dir/povrayformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Built target povrayformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/reportformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Building CXX object src/formats/CMakeFiles/reportformat.dir/reportformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dreportformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/reportformat.dir/reportformat.cpp.o -MF CMakeFiles/reportformat.dir/reportformat.cpp.o.d -o CMakeFiles/reportformat.dir/reportformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/reportformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/reportformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Linking CXX shared module ../../lib64/reportformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/reportformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/reportformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/reportformat.so CMakeFiles/reportformat.dir/reportformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Built target reportformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/svgformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Building CXX object src/formats/CMakeFiles/svgformat.dir/svgformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsvgformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/svgformat.dir/svgformat.cpp.o -MF CMakeFiles/svgformat.dir/svgformat.cpp.o.d -o CMakeFiles/svgformat.dir/svgformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp: In member function ‘virtual bool OpenBabel::SVGFormat::WriteChemObject(OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:226:42: warning: comparison of integer expressions of different signedness: ‘std::vector<OpenBabel::OBBase*>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  226 |   bool nomore = _nmax && (_objects.size()==_nmax);
      |                           ~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:248:18: warning: unused variable ‘n’ [-Wunused-variable]
  248 |     unsigned int n=0;
      |                  ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp: In member function ‘virtual bool OpenBabel::SVGFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/svgformat.cpp:273:8: warning: unused variable ‘ret’ [-Wunused-variable]
  273 |   bool ret = WriteSVG(pConv,_objects);
      |        ^~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Linking CXX shared module ../../lib64/svgformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/svgformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/svgformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/svgformat.so CMakeFiles/svgformat.dir/svgformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Built target svgformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Building CXX object src/formats/CMakeFiles/textformat.dir/textformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dtextformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/textformat.dir/textformat.cpp.o -MF CMakeFiles/textformat.dir/textformat.cpp.o.d -o CMakeFiles/textformat.dir/textformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/textformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/textformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 33%] Linking CXX shared module ../../lib64/textformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/textformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/textformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/textformat.so CMakeFiles/textformat.dir/textformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 33%] Built target textformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 34%] Building CXX object src/formats/CMakeFiles/titleformat.dir/titleformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dtitleformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/titleformat.dir/titleformat.cpp.o -MF CMakeFiles/titleformat.dir/titleformat.cpp.o.d -o CMakeFiles/titleformat.dir/titleformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/titleformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/titleformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 34%] Linking CXX shared module ../../lib64/titleformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/titleformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/titleformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/titleformat.so CMakeFiles/titleformat.dir/titleformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 34%] Built target titleformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/confabreport.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 34%] Building CXX object src/formats/CMakeFiles/confabreport.dir/confabreport.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dconfabreport_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/confabreport.dir/confabreport.cpp.o -MF CMakeFiles/confabreport.dir/confabreport.cpp.o.d -o CMakeFiles/confabreport.dir/confabreport.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp: In member function ‘void OpenBabel::ConfabReport::WriteOutput(std::ostream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp:129:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  129 |     for (int i=1; i < binvals.size(); i++)
      |                   ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/confabreport.cpp:134:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  134 |     for (int i=1; i < cumbins.size(); i++)
      |                   ~~^~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 34%] Linking CXX shared module ../../lib64/confabreport.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/confabreport.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/confabreport.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/confabreport.so CMakeFiles/confabreport.dir/confabreport.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 34%] Built target confabreport
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pngformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Linking CXX shared module ../lib64/plugin_charges.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_charges.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/plugin_charges.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/plugin_charges.so CMakeFiles/plugin_charges.dir/charges/eem.cpp.o CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o CMakeFiles/plugin_charges.dir/charges/none.cpp.o CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o  -lm -ldl -lz ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 34%] Built target plugin_charges
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/acesformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 34%] Building CXX object src/formats/CMakeFiles/pngformat.dir/pngformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpngformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pngformat.dir/pngformat.cpp.o -MF CMakeFiles/pngformat.dir/pngformat.cpp.o.d -o CMakeFiles/pngformat.dir/pngformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pngformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pngformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pngformat.cpp:13:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Linking CXX shared module ../../lib64/pngformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pngformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pngformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pngformat.so CMakeFiles/pngformat.dir/pngformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Built target pngformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/abinitformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 34%] Building CXX object src/formats/CMakeFiles/acesformat.dir/acesformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dacesformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/acesformat.dir/acesformat.cpp.o -MF CMakeFiles/acesformat.dir/acesformat.cpp.o.d -o CMakeFiles/acesformat.dir/acesformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acesformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acesformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Linking CXX shared module ../../lib64/acesformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acesformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/acesformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/acesformat.so CMakeFiles/acesformat.dir/acesformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Built target acesformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/adfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Building CXX object src/formats/CMakeFiles/abinitformat.dir/abinitformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dabinitformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/abinitformat.dir/abinitformat.cpp.o -MF CMakeFiles/abinitformat.dir/abinitformat.cpp.o.d -o CMakeFiles/abinitformat.dir/abinitformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp: In member function ‘virtual bool OpenBabel::ABINITFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:99:12: warning: variable ‘acell’ set but not used [-Wunused-but-set-variable]
   99 |     double acell[3]; // scale of lattice vectors
      |            ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:212:23: warning: ‘natom’ may be used uninitialized [-Wmaybe-uninitialized]
  212 |     for (int i = 0; i < natom; ++i) {
      |                     ~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/abinitformat.cpp:90:9: note: ‘natom’ was declared here
   90 |     int natom;
      |         ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Linking CXX shared module ../../lib64/abinitformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/abinitformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/abinitformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/abinitformat.so CMakeFiles/abinitformat.dir/abinitformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Built target abinitformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/aoforceformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Building CXX object src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Daoforceformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o -MF CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o.d -o CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/aoforceformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/aoforceformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Building CXX object src/formats/CMakeFiles/adfformat.dir/adfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dadfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/adfformat.dir/adfformat.cpp.o -MF CMakeFiles/adfformat.dir/adfformat.cpp.o.d -o CMakeFiles/adfformat.dir/adfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:29:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:37:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:46:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:74:12: note:   by ‘double OpenBabel::OBGridData::GetValue(int, int, int) const’
   74 |     double GetValue(int i, int j, int k) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp: In member function ‘bool OpenBabel::OBT41Format::ReadASCII(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:871:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  871 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:871:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  871 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:884:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  884 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:884:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  884 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:906:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  906 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:906:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  906 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:921:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  921 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:921:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  921 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:936:7: warning: this ‘while’ clause does not guard... [-Wmisleading-indentation]
  936 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |       ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/adfformat.cpp:936:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘while’
  936 |       while( buf != "Geometry" ) ifs >> buf; cout << buf << endl;
      |                                              ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Linking CXX shared module ../../lib64/aoforceformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/aoforceformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/aoforceformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/aoforceformat.so CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Built target aoforceformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/castepformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Building CXX object src/formats/CMakeFiles/castepformat.dir/castepformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcastepformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/castepformat.dir/castepformat.cpp.o -MF CMakeFiles/castepformat.dir/castepformat.cpp.o.d -o CMakeFiles/castepformat.dir/castepformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp: In member function ‘OpenBabel::CASTEPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:195:21: warning: ‘pressure’ may be used uninitialized [-Wmaybe-uninitialized]
  195 |         pv = volume * pressure * GPA_A3_TO_KCAL_PER_MOL;
      |              ~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:94:12: note: ‘pressure’ was declared here
   94 |     double pressure, volume, enthalpy;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:195:21: warning: ‘volume’ may be used uninitialized [-Wmaybe-uninitialized]
  195 |         pv = volume * pressure * GPA_A3_TO_KCAL_PER_MOL;
      |              ~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:94:22: note: ‘volume’ was declared here
   94 |     double pressure, volume, enthalpy;
      |                      ^~~~~~
In file included from /usr/include/stdio.h:967,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::CASTEPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:211:17:
/usr/include/bits/stdio2.h:68:35: warning: ‘enthalpy’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp: In member function ‘OpenBabel::CASTEPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/castepformat.cpp:94:30: note: ‘enthalpy’ was declared here
   94 |     double pressure, volume, enthalpy;
      |                              ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Linking CXX shared module ../../lib64/adfformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/adfformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/adfformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/adfformat.so CMakeFiles/adfformat.dir/adfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 36%] Built target adfformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/crystal09format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 36%] Linking CXX shared module ../../lib64/castepformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/castepformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/castepformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/castepformat.so CMakeFiles/castepformat.dir/castepformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 36%] Built target castepformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/daltonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 36%] Building CXX object src/formats/CMakeFiles/daltonformat.dir/daltonformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Ddaltonformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/daltonformat.dir/daltonformat.cpp.o -MF CMakeFiles/daltonformat.dir/daltonformat.cpp.o.d -o CMakeFiles/daltonformat.dir/daltonformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp: In member function ‘virtual bool OpenBabel::DALTONInputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:148:9: warning: variable ‘atomcount’ set but not used [-Wunused-but-set-variable]
  148 |     int atomcount = 0; // for each atom type
      |         ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp: In member function ‘virtual bool OpenBabel::DALTONInputFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:312:31: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  312 |       if(atom->GetAtomicNum() != atomtype)
      |          ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/daltonformat.cpp:332:31: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  332 |       if(atom->GetAtomicNum() != atomtype)
      |          ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 36%] Building CXX object src/formats/CMakeFiles/crystal09format.dir/crystal09format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcrystal09format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/crystal09format.dir/crystal09format.cpp.o -MF CMakeFiles/crystal09format.dir/crystal09format.cpp.o.d -o CMakeFiles/crystal09format.dir/crystal09format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crystal09format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crystal09format.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crystal09format.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 36%] Linking CXX shared module ../../lib64/daltonformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/daltonformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/daltonformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/daltonformat.so CMakeFiles/daltonformat.dir/daltonformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 37%] Built target daltonformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/dmolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 37%] Linking CXX shared module ../../lib64/crystal09format.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/crystal09format.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/crystal09format.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/crystal09format.so CMakeFiles/crystal09format.dir/crystal09format.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 37%] Built target crystal09format
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fchkformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 37%] Building CXX object src/formats/CMakeFiles/dmolformat.dir/dmolformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Ddmolformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/dmolformat.dir/dmolformat.cpp.o -MF CMakeFiles/dmolformat.dir/dmolformat.cpp.o.d -o CMakeFiles/dmolformat.dir/dmolformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dmolformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dmolformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 38%] Linking CXX shared module ../../lib64/dmolformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dmolformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/dmolformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/dmolformat.so CMakeFiles/dmolformat.dir/dmolformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 38%] Built target dmolformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fhiaimsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfhiaimsformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o -MF CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o.d -o CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhiaimsformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhiaimsformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 38%] Linking CXX shared module ../../lib64/fhiaimsformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fhiaimsformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fhiaimsformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fhiaimsformat.so CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 38%] Built target fhiaimsformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gamessformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/fchkformat.dir/fchkformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfchkformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fchkformat.dir/fchkformat.cpp.o -MF CMakeFiles/fchkformat.dir/fchkformat.cpp.o.d -o CMakeFiles/fchkformat.dir/fchkformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/functional:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp: In member function ‘virtual bool OpenBabel::FCHKFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:596:40: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  596 |         if (alphaorb_found && (numAOrb > alphaorb.size()))
      |                                ~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:609:40: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  609 |         if (betaorb_found &&  (numBOrb > betaorb.size()))
      |                                ~~~~~~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:668:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = less_equal<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  668 |                                    bind2nd(less_equal<int>(), 0)) ||
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:671:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = greater<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  671 |                                    bind2nd(greater<int>(), MxBond)) ||
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:674:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = less<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  674 |                                    bind2nd(less<int>(), 0)) ||
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:677:43: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = greater<int>; _Tp = int]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  677 |                                    bind2nd(greater<int>(), Natoms)))
      |                                    ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:700:40: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  700 |     if (numAOrb > 0 && alphaorb.size() == numAOrb) {
      |                        ~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fchkformat.cpp:704:41: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  704 |       if (numBOrb > 0 && betaorb.size() == numBOrb) {  // open shell calculation
      |                          ~~~~~~~~~~~~~~~^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 38%] Linking CXX shared module ../../lib64/fchkformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fchkformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fchkformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fchkformat.so CMakeFiles/fchkformat.dir/fchkformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 38%] Built target fchkformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 38%] Building CXX object src/formats/CMakeFiles/gamessformat.dir/gamessformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgamessformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gamessformat.dir/gamessformat.cpp.o -MF CMakeFiles/gamessformat.dir/gamessformat.cpp.o.d -o CMakeFiles/gamessformat.dir/gamessformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp: In member function ‘virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:587:38: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  587 |             for (unsigned int i=0; i < modeCount;  ++i) {
      |                                    ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:233:9: warning: variable ‘ndummyatoms’ set but not used [-Wunused-but-set-variable]
  233 |     int ndummyatoms = 0;
      |         ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:540:27: warning: ‘lowFreqModesBegin’ may be used uninitialized [-Wmaybe-uninitialized]
  540 |             if (numIntens < lowFreqModesBegin || numIntens > lowFreqModesEnd)
      |                 ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:244:9: note: ‘lowFreqModesBegin’ was declared here
  244 |     int lowFreqModesBegin;           // the number of the first low frequency mode
      |         ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:540:60: warning: ‘lowFreqModesEnd’ may be used uninitialized [-Wmaybe-uninitialized]
  540 |             if (numIntens < lowFreqModesBegin || numIntens > lowFreqModesEnd)
      |                                                  ~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessformat.cpp:245:9: note: ‘lowFreqModesEnd’ was declared here
  245 |     int lowFreqModesEnd;             // the number of the last low frequency mode
      |         ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 39%] Building CXX object src/formats/CMakeFiles/gaussformat.dir/gaussformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgaussformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gaussformat.dir/gaussformat.cpp.o -MF CMakeFiles/gaussformat.dir/gaussformat.cpp.o.d -o CMakeFiles/gaussformat.dir/gaussformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/data.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp: In function ‘void OpenBabel::add_unique_pairdata_to_mol(OBMol*, std::string, std::string, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:285:19: warning: comparison of integer expressions of different signedness: ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  285 |     if (vs.size() >= start)
      |         ~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:288:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  288 |         for(i=start+1; (i<vs.size()); i++)
      |                         ~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp: In function ‘int OpenBabel::extract_thermo(OBMol*, std::string, double, double, double, double, double, double, int, std::vector<double>)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gaussformat.cpp:339:17: warning: unused variable ‘pg’ [-Wunused-variable]
  339 |     const char *pg = obPG.IdentifyPointGroup();
      |                 ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 40%] Linking CXX shared module ../../lib64/gamessformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gamessformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gamessformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gamessformat.so CMakeFiles/gamessformat.dir/gamessformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 40%] Built target gamessformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 40%] Building CXX object src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgausscubeformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o -MF CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o.d -o CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:36:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:74:12: note:   by ‘double OpenBabel::OBGridData::GetValue(int, int, int) const’
   74 |     double GetValue(int i, int j, int k) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp: In member function ‘virtual bool OpenBabel::OBGaussianCubeFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:432:25: warning: comparison of integer expressions of different signedness: ‘std::vector<OpenBabel::OBGridData*>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  432 |       while (vgd.size() < nCubes)
      |              ~~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:479:26: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  479 |     while (values.size() < n*nCubes)
      |            ~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausscubeformat.cpp:114:17: warning: unused variable ‘title’ [-Wunused-variable]
  114 |     const char* title = pConv->GetTitle();
      |                 ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 40%] Linking CXX shared module ../../lib64/gaussformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gaussformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gaussformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gaussformat.so CMakeFiles/gaussformat.dir/gaussformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 40%] Built target gaussformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 40%] Linking CXX shared module ../../lib64/gausscubeformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausscubeformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gausscubeformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gausscubeformat.so CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 40%] Built target gausscubeformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gulpformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Building CXX object src/formats/CMakeFiles/gulpformat.dir/gulpformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgulpformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gulpformat.dir/gulpformat.cpp.o -MF CMakeFiles/gulpformat.dir/gulpformat.cpp.o.d -o CMakeFiles/gulpformat.dir/gulpformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp: In member function ‘OpenBabel::GULPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:359:14: warning: ‘enthalpy_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  359 |       double en_kcal_per_mole = enthalpy_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:96:12: note: ‘enthalpy_eV’ was declared here
   96 |     double enthalpy_eV, pv_eV;
      |            ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:360:14: warning: ‘pv_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  360 |       double pv_kcal_per_mole = pv_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gulpformat.cpp:96:25: note: ‘pv_eV’ was declared here
   96 |     double enthalpy_eV, pv_eV;
      |                         ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 40%] Building CXX object src/formats/CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgausszmatformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o -MF CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o.d -o CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausszmatformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gausszmatformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Linking CXX shared module ../../lib64/gulpformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gulpformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gulpformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gulpformat.so CMakeFiles/gulpformat.dir/gulpformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Built target gulpformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Linking CXX shared module ../../lib64/gausszmatformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausszmatformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gausszmatformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gausszmatformat.so CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Built target gausszmatformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Building CXX object src/formats/CMakeFiles/hinformat.dir/hinformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dhinformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/hinformat.dir/hinformat.cpp.o -MF CMakeFiles/hinformat.dir/hinformat.cpp.o.d -o CMakeFiles/hinformat.dir/hinformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/hinformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/hinformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Linking CXX shared module ../../lib64/hinformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/hinformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/hinformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/hinformat.so CMakeFiles/hinformat.dir/hinformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Built target hinformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Building CXX object src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Djaguarformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o -MF CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o.d -o CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/jaguarformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/jaguarformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Linking CXX shared module ../../lib64/jaguarformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/jaguarformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/jaguarformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/jaguarformat.so CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Built target jaguarformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Building CXX object src/formats/CMakeFiles/molproformat.dir/molproformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmolproformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/molproformat.dir/molproformat.cpp.o -MF CMakeFiles/molproformat.dir/molproformat.cpp.o.d -o CMakeFiles/molproformat.dir/molproformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molproformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/molproformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Linking CXX shared module ../../lib64/molproformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molproformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/molproformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/molproformat.so CMakeFiles/molproformat.dir/molproformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Built target molproformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Building CXX object src/formats/CMakeFiles/mopacformat.dir/mopacformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmopacformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mopacformat.dir/mopacformat.cpp.o -MF CMakeFiles/mopacformat.dir/mopacformat.cpp.o.d -o CMakeFiles/mopacformat.dir/mopacformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp: In member function ‘virtual bool OpenBabel::MOPACCARTFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:650:19: warning: variable ‘isotopeMass’ set but not used [-Wunused-but-set-variable]
  650 |     double x,y,z, isotopeMass;
      |                   ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp: In member function ‘OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:81:12: warning: ‘x’ may be used uninitialized [-Wmaybe-uninitialized]
   81 |     double x,y,z;
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mopacformat.cpp:81:14: warning: ‘y’ may be used uninitialized [-Wmaybe-uninitialized]
   81 |     double x,y,z;
      |              ^
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Linking CXX shared module ../../lib64/mopacformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mopacformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mopacformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mopacformat.so CMakeFiles/mopacformat.dir/mopacformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Built target mopacformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pwscfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Building CXX object src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dnwchemformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o -MF CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o.d -o CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadCoordinates(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:228:72: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  228 |             if ((i>=natoms) || (molecule->GetAtom(i+1)->GetAtomicNum() != atoi(vs[2].c_str())))
      |                                 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadMultipoleMoment(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:306:17: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else]
  306 |         else if (vs[0][0] == '1')
      |                 ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadPartialCharges(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:423:56: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  423 |             if (molecule->GetAtom(i++)->GetAtomicNum() != charge)
      |                 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadMEPCalculation(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:571:25: warning: comparison of integer expressions of different signedness: ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  571 |     if (energies.size() != molecule->NumConformers())
      |         ~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘void OpenBabel::NWChemOutputFormat::ReadZTSCalculation(std::istream*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:932:34: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  932 |                 if (atoi(buffer) != natoms)
      |                     ~~~~~~~~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:111:20: warning: ‘OpenBabel::BETA_ORBITAL_PATTERN’ defined but not used [-Wunused-variable]
  111 | static const char* BETA_ORBITAL_PATTERN = "Beta";
      |                    ^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘OpenBabel::NWChemOutputFormat::ReadZTSCalculation(std::basic_istream<char, std::char_traits<char> >*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:957:21: warning: ‘nbeads’ may be used uninitialized [-Wmaybe-uninitialized]
  957 |                     if (bead_number != nbeads)
      |                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:900:18: note: ‘nbeads’ was declared here
  900 |     unsigned int nbeads;
      |                  ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp: In member function ‘OpenBabel::NWChemOutputFormat::ReadSinglePointCalculation(std::basic_istream<char, std::char_traits<char> >*, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:772:5: warning: ‘energy’ may be used uninitialized [-Wmaybe-uninitialized]
  772 |     if (energy == 0)
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/nwchemformat.cpp:750:12: note: ‘energy’ was declared here
  750 |     double energy;
      |            ^~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Building CXX object src/formats/CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpwscfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o -MF CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o.d -o CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /usr/include/stdio.h:967,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:282:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘enthalpy’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp: In member function ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:98:12: note: ‘enthalpy’ was declared here
   98 |     double enthalpy, pv;
      |            ^~~~~~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:284:15:
/usr/include/bits/stdio2.h:68:35: warning: ‘pv’ may be used uninitialized [-Wmaybe-uninitialized]
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp: In member function ‘OpenBabel::PWscfFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pwscfformat.cpp:98:22: note: ‘pv’ was declared here
   98 |     double enthalpy, pv;
      |                      ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 43%] Linking CXX shared module ../../lib64/pwscfformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pwscfformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pwscfformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pwscfformat.so CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 43%] Built target pwscfformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/qchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Linking CXX shared module ../../lib64/nwchemformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/nwchemformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/nwchemformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/nwchemformat.so CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 43%] Built target nwchemformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/siestaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 43%] Building CXX object src/formats/CMakeFiles/qchemformat.dir/qchemformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dqchemformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/qchemformat.dir/qchemformat.cpp.o -MF CMakeFiles/qchemformat.dir/qchemformat.cpp.o.d -o CMakeFiles/qchemformat.dir/qchemformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp: In member function ‘virtual bool OpenBabel::QChemOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/qchemformat.cpp:194:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  194 |             if (nbAtomRead != mol.NumAtoms())
      |                 ~~~~~~~~~~~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Building CXX object src/formats/CMakeFiles/siestaformat.dir/siestaformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsiestaformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/siestaformat.dir/siestaformat.cpp.o -MF CMakeFiles/siestaformat.dir/siestaformat.cpp.o.d -o CMakeFiles/siestaformat.dir/siestaformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp: In member function ‘virtual bool OpenBabel::SIESTAFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:92:10: warning: variable ‘coordsAreAngstrom’ set but not used [-Wunused-but-set-variable]
   92 |     bool coordsAreAngstrom = false;
      |          ^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:98:12: warning: variable ‘size’ set but not used [-Wunused-but-set-variable]
   98 |     size_t size;
      |            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/siestaformat.cpp:102:30: warning: unused variable ‘numSpecies’ [-Wunused-variable]
  102 |     int atomicNum, numAtoms, numSpecies;
      |                              ^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Linking CXX shared module ../../lib64/qchemformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/qchemformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/qchemformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/qchemformat.so CMakeFiles/qchemformat.dir/qchemformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Built target qchemformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/turbomoleformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Linking CXX shared module ../../lib64/siestaformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/siestaformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/siestaformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/siestaformat.so CMakeFiles/siestaformat.dir/siestaformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Built target siestaformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/vaspformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Building CXX object src/formats/CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dturbomoleformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o -MF CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o.d -o CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/turbomoleformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/turbomoleformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Linking CXX shared module ../../lib64/turbomoleformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/turbomoleformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/turbomoleformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/turbomoleformat.so CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Built target turbomoleformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Building CXX object src/formats/CMakeFiles/xsfformat.dir/xsfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxsfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xsfformat.dir/xsfformat.cpp.o -MF CMakeFiles/xsfformat.dir/xsfformat.cpp.o.d -o CMakeFiles/xsfformat.dir/xsfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xsfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xsfformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Linking CXX shared module ../../lib64/xsfformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xsfformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/xsfformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/xsfformat.so CMakeFiles/xsfformat.dir/xsfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Built target xsfformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/zindoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Building CXX object src/formats/CMakeFiles/zindoformat.dir/zindoformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dzindoformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/zindoformat.dir/zindoformat.cpp.o -MF CMakeFiles/zindoformat.dir/zindoformat.cpp.o.d -o CMakeFiles/zindoformat.dir/zindoformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/zindoformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/zindoformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/zindoformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/zindoformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/zindoformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/zindoformat.so CMakeFiles/zindoformat.dir/zindoformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target zindoformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gamessukformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Building CXX object src/formats/CMakeFiles/vaspformat.dir/vaspformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dvaspformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/vaspformat.dir/vaspformat.cpp.o -MF CMakeFiles/vaspformat.dir/vaspformat.cpp.o.d -o CMakeFiles/vaspformat.dir/vaspformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp: In member function ‘virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:451:17: warning: unused variable ‘freqnum’ [-Wunused-variable]
  451 |             int freqnum = atoi(vs[0].c_str());
      |                 ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:535:35: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = not_equal_to<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  535 |                       std::bind2nd(std::not_equal_to<double>(), 0.0));
      |                       ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_function.h:1441:
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:589:36: warning: ‘std::binder2nd<_Operation> std::bind2nd(const _Operation&, const _Tp&) [with _Operation = divides<double>; _Tp = double]’ is deprecated: use 'std::bind' instead [-Wdeprecated-declarations]
  589 |                        std::bind2nd(std::divides<double>(), max / 100.0));
      |                        ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/15/backward/binders.h:172:5: note: declared here
  172 |     bind2nd(const _Operation& __fn, const _Tp& __x)
      |     ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp: In member function ‘virtual bool OpenBabel::VASPFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:668:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBAtom*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  668 |     for(int i = 0; i < atoms_sorted.size(); i++)
      |                    ~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp: In member function ‘OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:410:21: warning: ‘fermi’ may be used uninitialized [-Wmaybe-uninitialized]
  410 |         dos->SetData(fermi, energies, densities, integration);
      |         ~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:392:14: note: ‘fermi’ was declared here
  392 |       double fermi;
      |              ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:556:14: warning: ‘enthalpy_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  556 |       double en_kcal_per_mole = enthalpy_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:171:12: note: ‘enthalpy_eV’ was declared here
  171 |     double enthalpy_eV, pv_eV;
      |            ^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:557:14: warning: ‘pv_eV’ may be used uninitialized [-Wmaybe-uninitialized]
  557 |       double pv_kcal_per_mole = pv_eV * EV_TO_KCAL_PER_MOL;
      |              ^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/vaspformat.cpp:171:25: note: ‘pv_eV’ was declared here
  171 |     double enthalpy_eV, pv_eV;
      |                         ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/vaspformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/vaspformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/vaspformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/vaspformat.so CMakeFiles/vaspformat.dir/vaspformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target vaspformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Building CXX object src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgamessukformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o -MF CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o.d -o CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘bool OpenBabel::GAMESSUKOutputFormat::ReadInitialCartesian(OpenBabel::OBMol&, std::istream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:787:10: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  787 |     bool ok=false;
      |          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘bool OpenBabel::GAMESSUKOutputFormat::ReadOptGeomXyz1(OpenBabel::OBMol&, std::istream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:853:12: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  853 |       bool ok=false;
      |            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘bool OpenBabel::GAMESSUKOutputFormat::ReadOptGeomXyz2(OpenBabel::OBMol&, std::istream&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:900:12: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  900 |       bool ok=false;
      |            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp: In member function ‘virtual bool OpenBabel::GAMESSUKOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gamessukformat.cpp:1215:12: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
 1215 |       bool ok;
      |            ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Building CXX object src/formats/CMakeFiles/orcaformat.dir/orcaformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dorcaformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/orcaformat.dir/orcaformat.cpp.o -MF CMakeFiles/orcaformat.dir/orcaformat.cpp.o.d -o CMakeFiles/orcaformat.dir/orcaformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp: In member function ‘virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:348:33: warning: comparison of integer expressions of different signedness: ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  348 |                 while(vs.size() == nColumn+1) {
      |                       ~~~~~~~~~~^~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:363:48: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  363 |                     for (unsigned int i = 0; i < nColumn; i++) {
      |                                              ~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:375:44: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  375 |                 for (unsigned int i = 0; i < nColumn; i++) {
      |                                          ~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:131:12: warning: unused variable ‘energy’ [-Wunused-variable]
  131 |     double energy=0;
      |            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:138:9: warning: variable ‘nModeAll’ set but not used [-Wunused-but-set-variable]
  138 |     int nModeAll = 0;
      |         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:217:39: warning: ‘confCoords’ may be used uninitialized [-Wmaybe-uninitialized]
  217 |                     confCoords[i*3+2] = z;
      |                     ~~~~~~~~~~~~~~~~~~^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:149:13: note: ‘confCoords’ was declared here
  149 |     double* confCoords;
      |             ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:220:36: warning: ‘atom’ may be used uninitialized [-Wmaybe-uninitialized]
  220 |                     atom->SetVector(x,y,z); //set atom coordinates
      |                     ~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/orcaformat.cpp:162:13: note: ‘atom’ was declared here
  162 |     OBAtom *atom;
      |             ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/gamessukformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gamessukformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gamessukformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gamessukformat.so CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target gamessukformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Building CXX object src/formats/CMakeFiles/APIInterface.dir/APIInterface.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DAPIInterface_EXPORTS -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/APIInterface.dir/APIInterface.cpp.o -MF CMakeFiles/APIInterface.dir/APIInterface.cpp.o.d -o CMakeFiles/APIInterface.dir/APIInterface.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/APIInterface.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/APIInterface.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/APIInterface.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/APIInterface.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/APIInterface.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/APIInterface.so CMakeFiles/APIInterface.dir/APIInterface.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target APIInterface
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Building CXX object src/formats/CMakeFiles/CSRformat.dir/CSRformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DCSRformat_EXPORTS -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/CSRformat.dir/CSRformat.cpp.o -MF CMakeFiles/CSRformat.dir/CSRformat.cpp.o.d -o CMakeFiles/CSRformat.dir/CSRformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp: In member function ‘OpenBabel::CSRFormat::PadString(char*, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp:192:12: warning: ‘__strncpy_chk’ output truncated before terminating nul copying as many bytes from a string as its length [-Wstringop-truncation]
  192 |     strncpy(output, input, strlen(input));
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/CSRformat.cpp:192:12: note: length computed here
  192 |     strncpy(output, input, strlen(input));
      |     ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/CSRformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/CSRformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/CSRformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/CSRformat.so CMakeFiles/CSRformat.dir/CSRformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target CSRformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/PQSformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Linking CXX shared module ../../lib64/orcaformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/orcaformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/orcaformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/orcaformat.so CMakeFiles/orcaformat.dir/orcaformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target orcaformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Building CXX object src/formats/CMakeFiles/PQSformat.dir/PQSformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DPQSformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/PQSformat.dir/PQSformat.cpp.o -MF CMakeFiles/PQSformat.dir/PQSformat.cpp.o.d -o CMakeFiles/PQSformat.dir/PQSformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp: In member function ‘OpenBabel::PQSFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp:263:49: warning: ‘pFormat’ may be used uninitialized [-Wmaybe-uninitialized]
  263 |                     return pFormat->ReadMolecule(&mol,&coordconv);
      |                            ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/PQSformat.cpp:254:31: note: ‘pFormat’ was declared here
  254 |                     OBFormat* pFormat;
      |                               ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 47%] Linking CXX shared module ../../lib64/PQSformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/PQSformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/PQSformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/PQSformat.so CMakeFiles/PQSformat.dir/PQSformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 47%] Built target PQSformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 47%] Building CXX object src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dalchemyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o -MF CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o.d -o CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/alchemyformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/alchemyformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 48%] Linking CXX shared module ../../lib64/alchemyformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/alchemyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/alchemyformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/alchemyformat.so CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 48%] Built target alchemyformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/acrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Building CXX object src/formats/CMakeFiles/acrformat.dir/acrformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dacrformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/acrformat.dir/acrformat.cpp.o -MF CMakeFiles/acrformat.dir/acrformat.cpp.o.d -o CMakeFiles/acrformat.dir/acrformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:23:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp: In member function ‘OpenBabel::ACRFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:166:12: warning: ‘atoms’ may be used uninitialized [-Wmaybe-uninitialized]
  166 |     } else if ( pmol->NumAtoms() != atoms ) {
      |            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:95:18: note: ‘atoms’ was declared here
   95 |     unsigned int atoms, bonds, tmp;
      |                  ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:162:5: warning: ‘bonds’ may be used uninitialized [-Wmaybe-uninitialized]
  162 |     if ( pmol->NumBonds() != bonds ) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/acrformat.cpp:95:25: note: ‘bonds’ was declared here
   95 |     unsigned int atoms, bonds, tmp;
      |                         ^~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Linking CXX shared module ../../lib64/acrformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acrformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/acrformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/acrformat.so CMakeFiles/acrformat.dir/acrformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Built target acrformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/amberformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 46%] Building CXX object src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMCDLformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o -MF CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o.d -o CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘void OpenBabel::MCDLFormat::solve(int, int (*)[4], int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:283:9: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  283 |         if (jflag)
      |         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:287:13: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  287 |             nt = 1;
      |             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘void OpenBabel::MCDLFormat::setMCDL(std::string, OpenBabel::OBMol*, std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1267:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
 1267 |     if (nPrev == acount) {
      |         ~~~~~~^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘int OpenBabel::MCDLFormat::indexOf(std::string, std::string, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1385:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const std::__cxx11::basic_string<char>::size_type’ {aka ‘const long unsigned int’} [-Wsign-compare]
 1385 |     if (result == string::npos) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1386:16: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::__cxx11::basic_string<char>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1386 |     if (result >= instring.length()) result=-1;
      |         ~~~~~~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘int OpenBabel::MCDLFormat::lastIndexOf(std::string, std::string)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:1399:11: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const std::__cxx11::basic_string<char>::size_type’ {aka ‘const long unsigned int’} [-Wsign-compare]
 1399 |     if (n == string::npos)
      |         ~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp: In member function ‘OpenBabel::MCDLFormat::solve(int, int (*) [4], int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:390:24: warning: ‘numdups’ may be used uninitialized [-Wmaybe-uninitialized]
  390 |             for (j=0; j<numdups; j++)
      |                       ~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:242:10: note: ‘numdups’ was declared here
  242 |     int  numdups, dupfrag, jump;
      |          ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:242:28: warning: ‘jump’ may be used uninitialized [-Wmaybe-uninitialized]
  242 |     int  numdups, dupfrag, jump;
      |                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:398:17: warning: ‘dupfrag’ may be used uninitialized [-Wmaybe-uninitialized]
  398 |                 if (ix[i] > dupfrag)
      |                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/MCDLformat.cpp:242:19: note: ‘dupfrag’ was declared here
  242 |     int  numdups, dupfrag, jump;
      |                   ^~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Building CXX object src/formats/CMakeFiles/amberformat.dir/amberformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Damberformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/amberformat.dir/amberformat.cpp.o -MF CMakeFiles/amberformat.dir/amberformat.cpp.o.d -o CMakeFiles/amberformat.dir/amberformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/amberformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/amberformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Linking CXX shared module ../../lib64/amberformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/amberformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/amberformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/amberformat.so CMakeFiles/amberformat.dir/amberformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Built target amberformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Building CXX object src/formats/CMakeFiles/balstformat.dir/balstformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbalstformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/balstformat.dir/balstformat.cpp.o -MF CMakeFiles/balstformat.dir/balstformat.cpp.o.d -o CMakeFiles/balstformat.dir/balstformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/balstformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/balstformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Linking CXX shared module ../../lib64/balstformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/balstformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/balstformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/balstformat.so CMakeFiles/balstformat.dir/balstformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Built target balstformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Building CXX object src/formats/CMakeFiles/bgfformat.dir/bgfformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbgfformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/bgfformat.dir/bgfformat.cpp.o -MF CMakeFiles/bgfformat.dir/bgfformat.cpp.o.d -o CMakeFiles/bgfformat.dir/bgfformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/bgfformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/bgfformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Linking CXX shared module ../../lib64/bgfformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/bgfformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/bgfformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/bgfformat.so CMakeFiles/bgfformat.dir/bgfformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Built target bgfformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/boxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Linking CXX shared module ../../lib64/MCDLformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/MCDLformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/MCDLformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/MCDLformat.so CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Built target MCDLformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Building CXX object src/formats/CMakeFiles/boxformat.dir/boxformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dboxformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/boxformat.dir/boxformat.cpp.o -MF CMakeFiles/boxformat.dir/boxformat.cpp.o.d -o CMakeFiles/boxformat.dir/boxformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/boxformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/boxformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Linking CXX shared module ../../lib64/boxformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/boxformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/boxformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/boxformat.so CMakeFiles/boxformat.dir/boxformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Built target boxformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cacheformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Building CXX object src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcacaoformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o -MF CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o.d -o CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacaoformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacaoformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/cacaoformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cacaoformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cacaoformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cacaoformat.so CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target cacaoformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/carformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/cacheformat.dir/cacheformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcacheformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cacheformat.dir/cacheformat.cpp.o -MF CMakeFiles/cacheformat.dir/cacheformat.cpp.o.d -o CMakeFiles/cacheformat.dir/cacheformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacheformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cacheformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/cacheformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cacheformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cacheformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cacheformat.so CMakeFiles/cacheformat.dir/cacheformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target cacheformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cccformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/carformat.dir/carformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcarformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/carformat.dir/carformat.cpp.o -MF CMakeFiles/carformat.dir/carformat.cpp.o.d -o CMakeFiles/carformat.dir/carformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/carformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/carformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/cccformat.dir/cccformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcccformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cccformat.dir/cccformat.cpp.o -MF CMakeFiles/cccformat.dir/cccformat.cpp.o.d -o CMakeFiles/cccformat.dir/cccformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cccformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cccformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/carformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/carformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/carformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/carformat.so CMakeFiles/carformat.dir/carformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target carformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/cccformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cccformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cccformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cccformat.so CMakeFiles/cccformat.dir/cccformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target cccformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chem3dformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemdrawct_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o -MF CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o.d -o CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawct.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawct.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchem3dformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o -MF CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o.d -o CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chem3dformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chem3dformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/matrix3x3.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chem3dformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/chemdrawct.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawct.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chemdrawct.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemdrawct.so CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target chemdrawct
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chemtoolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/chem3dformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chem3dformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chem3dformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chem3dformat.so CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target chem3dformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cifformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemtoolformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o -MF CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o.d -o CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemtoolformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemtoolformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/chemtoolformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemtoolformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chemtoolformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemtoolformat.so CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target chemtoolformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cofformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/cofformat.dir/cofformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcofformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cofformat.dir/cofformat.cpp.o -MF CMakeFiles/cofformat.dir/cofformat.cpp.o.d -o CMakeFiles/cofformat.dir/cofformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp: In member function ‘virtual bool OpenBabel::COFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:133:22: warning: comparison of integer expressions of different signedness: ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  133 |         if(vs.size() < offset+9)
      |            ~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:180:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  180 |           for(int j=0 ; j< natoms ; j++)
      |                         ~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp: In member function ‘virtual bool OpenBabel::COFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:368:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  368 |       for( int j=0; j<elems.size(); j++)
      |                     ~^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cofformat.cpp:410:9: warning: unused variable ‘nbonds’ [-Wunused-variable]
  410 |     int nbonds = mol.NumBonds();
      |         ^~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/cofformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cofformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cofformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cofformat.so CMakeFiles/cofformat.dir/cofformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target cofformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/crkformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/crkformat.dir/crkformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcrkformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/crkformat.dir/crkformat.cpp.o -MF CMakeFiles/crkformat.dir/crkformat.cpp.o.d -o CMakeFiles/crkformat.dir/crkformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crkformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/crkformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/crkformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/crkformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/crkformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/crkformat.so CMakeFiles/crkformat.dir/crkformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target crkformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/cifformat.dir/cifformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcifformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cifformat.dir/cifformat.cpp.o -MF CMakeFiles/cifformat.dir/cifformat.cpp.o.d -o CMakeFiles/cifformat.dir/cifformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp: In member function ‘void OpenBabel::CIFData::CalcMatrices()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:11: warning: variable ‘aa’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:14: warning: variable ‘bb’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:27: warning: variable ‘betaa’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |                           ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:915:33: warning: variable ‘gammaa’ set but not used [-Wunused-but-set-variable]
  915 |     float aa,bb,cc,alphaa,betaa,gammaa;//reciprocal space parameters
      |                                 ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp: In member function ‘virtual bool OpenBabel::CIFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cifformat.cpp:1693:15: warning: label ‘std’ defined but not used [-Wunused-label]
 1693 |               std:vector<int> uc;
      |               ^~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Building CXX object src/formats/CMakeFiles/cssrformat.dir/cssrformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcssrformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cssrformat.dir/cssrformat.cpp.o -MF CMakeFiles/cssrformat.dir/cssrformat.cpp.o.d -o CMakeFiles/cssrformat.dir/cssrformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cssrformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/cssrformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/cssrformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cssrformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cssrformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cssrformat.so CMakeFiles/cssrformat.dir/cssrformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target cssrformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/dlpolyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Linking CXX shared module ../../lib64/cifformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cifformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cifformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cifformat.so CMakeFiles/cifformat.dir/cifformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 52%] Built target cifformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/exyzformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Ddlpolyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o -MF CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o.d -o CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp: In member function ‘bool OpenBabel::DlpolyInputReader::ParseUnitCell(std::istream&, OpenBabel::OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/dlpolyformat.cpp:152:10: warning: variable ‘ok’ set but not used [-Wunused-but-set-variable]
  152 |     bool ok;
      |          ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 52%] Linking CXX shared module ../../lib64/dlpolyformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dlpolyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/dlpolyformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/dlpolyformat.so CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 52%] Built target dlpolyformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/exyzformat.dir/exyzformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dexyzformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/exyzformat.dir/exyzformat.cpp.o -MF CMakeFiles/exyzformat.dir/exyzformat.cpp.o.d -o CMakeFiles/exyzformat.dir/exyzformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/exyzformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/exyzformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/exyzformat.cpp: In member function ‘virtual bool OpenBabel::EXYZFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/exyzformat.cpp:124:19: warning: variable ‘virtualAtoms’ set but not used [-Wunused-but-set-variable]
  124 |     bool unitCell,virtualAtoms;
      |                   ^~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Linking CXX shared module ../../lib64/exyzformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/exyzformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/exyzformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/exyzformat.so CMakeFiles/exyzformat.dir/exyzformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Built target exyzformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fastaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 52%] Building CXX object src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfastsearchformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o -MF CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o.d -o CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp:16:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp: In member function ‘void OpenBabel::FastSearchFormat::AddPattern(std::vector<OpenBabel::OBMol>&, OpenBabel::OBMol, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastsearchformat.cpp:690:11: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  690 |     if(idx>=patternMol.NumBonds())
      |        ~~~^~~~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Building CXX object src/formats/CMakeFiles/fastaformat.dir/fastaformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfastaformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fastaformat.dir/fastaformat.cpp.o -MF CMakeFiles/fastaformat.dir/fastaformat.cpp.o.d -o CMakeFiles/fastaformat.dir/fastaformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp: In function ‘void OpenBabel::add_residue(OBMol*, OBResidue*, double, double, long unsigned int&, ResidueRecord*, int, OBAtom*&, bool, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fastaformat.cpp:394:33: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  394 |             else if (atom_count > resBondFromOffset)
      |                      ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Linking CXX shared module ../../lib64/fastaformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastaformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fastaformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fastaformat.so CMakeFiles/fastaformat.dir/fastaformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/featformat.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastsearchformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fastsearchformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fastsearchformat.so CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Building CXX object src/formats/CMakeFiles/featformat.dir/featformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfeatformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/featformat.dir/featformat.cpp.o -MF CMakeFiles/featformat.dir/featformat.cpp.o.d -o CMakeFiles/featformat.dir/featformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/featformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/featformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Linking CXX shared module ../../lib64/featformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/featformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/featformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/featformat.so CMakeFiles/featformat.dir/featformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Built target featformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fingerprintformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Building CXX object src/formats/CMakeFiles/fhformat.dir/fhformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfhformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fhformat.dir/fhformat.cpp.o -MF CMakeFiles/fhformat.dir/fhformat.cpp.o.d -o CMakeFiles/fhformat.dir/fhformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fhformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 54%] Linking CXX shared module ../../lib64/fhformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fhformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fhformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fhformat.so CMakeFiles/fhformat.dir/fhformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 54%] Built target fhformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Building CXX object src/formats/CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfingerprintformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o -MF CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o.d -o CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fingerprintformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fingerprintformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fingerprintformat.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/fpsformat.dir/fpsformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfpsformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/fpsformat.dir/fpsformat.cpp.o -MF CMakeFiles/fpsformat.dir/fpsformat.cpp.o.d -o CMakeFiles/fpsformat.dir/fpsformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:15:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp: In member function ‘virtual bool OpenBabel::FPSFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:152:21: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  152 |   for(unsigned i=0;i<(_nbits+31)/32;++i)
      |                    ~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp: In member function ‘std::string OpenBabel::FPSFormat::getTimeStr()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/fpsformat.cpp:175:10: warning: variable ‘time_res’ set but not used [-Wunused-but-set-variable]
  175 |   size_t time_res;                             /* Result of strftime                */
      |          ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 55%] Linking CXX shared module ../../lib64/fingerprintformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fingerprintformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fingerprintformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fingerprintformat.so CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 55%] Built target fingerprintformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 55%] Linking CXX shared module ../../lib64/fpsformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpsformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/fpsformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/fpsformat.so CMakeFiles/fpsformat.dir/fpsformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 55%] Built target fpsformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/freefracformat.dir/freefracformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dfreefracformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/freefracformat.dir/freefracformat.cpp.o -MF CMakeFiles/freefracformat.dir/freefracformat.cpp.o.d -o CMakeFiles/freefracformat.dir/freefracformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/freefracformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/freefracformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 55%] Building CXX object src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dghemicalformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o -MF CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o.d -o CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/ghemicalformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/ghemicalformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 55%] Linking CXX shared module ../../lib64/freefracformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/freefracformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/freefracformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/freefracformat.so CMakeFiles/freefracformat.dir/freefracformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 56%] Built target freefracformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/ghemicalformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/ghemicalformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/ghemicalformat.so CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 56%] Building CXX object src/formats/CMakeFiles/gromos96format.dir/gromos96format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgromos96format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/gromos96format.dir/gromos96format.cpp.o -MF CMakeFiles/gromos96format.dir/gromos96format.cpp.o.d -o CMakeFiles/gromos96format.dir/gromos96format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp:54:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp: In member function ‘OpenBabel::GROMOS96Format::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/gromos96format.cpp:144:20: warning: ‘strncpy’ specified bound 16 equals destination size [-Wstringop-truncation]
  144 |             strncpy(type_name,OBElements::GetSymbol(atom->GetAtomicNum()), 16);
      |                    ^
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 56%] Linking CXX shared module ../../lib64/gromos96format.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gromos96format.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/gromos96format.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/gromos96format.so CMakeFiles/gromos96format.dir/gromos96format.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 56%] Built target gromos96format
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 56%] Building CXX object src/formats/CMakeFiles/groformat.dir/groformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dgroformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/groformat.dir/groformat.cpp.o -MF CMakeFiles/groformat.dir/groformat.cpp.o.d -o CMakeFiles/groformat.dir/groformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp: In member function ‘OpenBabel::GROFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp:278:19: warning: ‘res’ may be used uninitialized [-Wmaybe-uninitialized]
  278 |       res->AddAtom(atom);
      |       ~~~~~~~~~~~~^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/groformat.cpp:171:14: note: ‘res’ was declared here
  171 |   OBResidue* res;
      |              ^~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Linking CXX shared module ../../lib64/groformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/groformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/groformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/groformat.so CMakeFiles/groformat.dir/groformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Built target groformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Building CXX object src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dlmpdatformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o -MF CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o.d -o CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp: In member function ‘virtual bool OpenBabel::LMPDATFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:277:20: warning: unused variable ‘length’ [-Wunused-variable]
  277 |             double length=cmax-cmin;
      |                    ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:367:25: warning: unused variable ‘atomid’ [-Wunused-variable]
  367 |                     int atomid=5;
      |                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lmpdatformat.cpp:368:28: warning: unused variable ‘charge’ [-Wunused-variable]
  368 |                     double charge=0.5;
      |                            ^~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Linking CXX shared module ../../lib64/lmpdatformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lmpdatformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/lmpdatformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/lmpdatformat.so CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Built target lmpdatformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mdffformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Building CXX object src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dlpmdformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o -MF CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o.d -o CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp: In member function ‘virtual bool OpenBabel::LpmdFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:196:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  196 |   if(int(headers.size()-1)!=tokens.size())
      |      ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:210:19: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  210 |   for(int i=1 ; i < headers.size() ; ++i) //the first element is HDR
      |                 ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:243:11: warning: unused variable ‘FX’ [-Wunused-variable]
  243 |    double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass;
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:243:32: warning: unused variable ‘FY’ [-Wunused-variable]
  243 |    double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass;
      |                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:243:53: warning: unused variable ‘FZ’ [-Wunused-variable]
  243 |    double FX = AX/mass; double FY = AY/mass; double FZ = AZ/mass;
      |                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp: In member function ‘virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:366:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  366 |   for(int i=0; i < mol.NumAtoms() ; ++i)
      |                ~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/lpmdformat.cpp:382:15: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  382 |  for(int i=0;i<mol.NumAtoms();++i)
      |              ~^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Linking CXX shared module ../../lib64/lpmdformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lpmdformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/lpmdformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/lpmdformat.so CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Built target lpmdformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Building CXX object src/formats/CMakeFiles/mdffformat.dir/mdffformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmdffformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mdffformat.dir/mdffformat.cpp.o -MF CMakeFiles/mdffformat.dir/mdffformat.cpp.o.d -o CMakeFiles/mdffformat.dir/mdffformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp: In member function ‘virtual bool OpenBabel::MDFFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:249:30: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::atm_t_prop>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  249 |             for(int i = 0; i < atom_t_prop.size(); i++)
      |                            ~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:270:33: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  270 |       for(unsigned int j = 0; j < atom_t_prop[i].num_of_atoms; j++)
      |                               ~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp: In member function ‘bool OpenBabel::aindx::operator<(const OpenBabel::aindx&) const’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:329:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  329 |       for(int i = 0; i < vs.size(); i++)
      |                      ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp: In member function ‘virtual bool OpenBabel::MDFFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:388:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  388 |       for(int i = 0; i < vs.size(); i++)
      |                      ~~^~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:443:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::pair<std::__cxx11::basic_string<char>, unsigned int> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  443 |     for (int i = 0; i < atypes_def.size(); i++)
      |                     ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:450:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::pair<std::__cxx11::basic_string<char>, unsigned int> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  450 |     for (int i = 0; i < atypes_def.size(); i++)
      |                     ~~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mdffformat.cpp:500:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::pair<std::__cxx11::basic_string<char>, unsigned int> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  500 |       for(int j = 0; j < atypes_def.size(); j++)
      |                      ~~^~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 58%] Linking CXX shared module ../../lib64/mdffformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdffformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mdffformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mdffformat.so CMakeFiles/mdffformat.dir/mdffformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 58%] Built target mdffformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mmodformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 59%] Building CXX object src/formats/CMakeFiles/mmodformat.dir/mmodformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmmodformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mmodformat.dir/mmodformat.cpp.o -MF CMakeFiles/mmodformat.dir/mmodformat.cpp.o.d -o CMakeFiles/mmodformat.dir/mmodformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmodformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmodformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Building CXX object src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmmcifformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o -MF CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o.d -o CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmcifformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mmcifformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 59%] Linking CXX shared module ../../lib64/mmodformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mmodformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mmodformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mmodformat.so CMakeFiles/mmodformat.dir/mmodformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 59%] Built target mmodformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 59%] Linking CXX shared module ../../lib64/mmcifformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mmcifformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mmcifformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mmcifformat.so CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 59%] Built target mmcifformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mpdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 59%] Building CXX object src/formats/CMakeFiles/moldenformat.dir/moldenformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmoldenformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/moldenformat.dir/moldenformat.cpp.o -MF CMakeFiles/moldenformat.dir/moldenformat.cpp.o.d -o CMakeFiles/moldenformat.dir/moldenformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/moldenformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/moldenformat.cpp:35:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/moldenformat.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 59%] Building CXX object src/formats/CMakeFiles/mpdformat.dir/mpdformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmpdformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mpdformat.dir/mpdformat.cpp.o -MF CMakeFiles/mpdformat.dir/mpdformat.cpp.o.d -o CMakeFiles/mpdformat.dir/mpdformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp: In member function ‘virtual bool OpenBabel::MPDFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpdformat.cpp:210:42: warning: variable ‘idx_true’ set but not used [-Wunused-but-set-variable]
  210 |     bool xml_true=false, pre_true=false, idx_true=false;
      |                                          ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 60%] Linking CXX shared module ../../lib64/mpdformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpdformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mpdformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mpdformat.so CMakeFiles/mpdformat.dir/mpdformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 60%] Built target mpdformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mpqcformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 60%] Linking CXX shared module ../../lib64/moldenformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldenformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/moldenformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/moldenformat.so CMakeFiles/moldenformat.dir/moldenformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 60%] Built target moldenformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 60%] Building CXX object src/formats/CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmpqcformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o -MF CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o.d -o CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpqcformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/mpqcformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Linking CXX shared module ../../lib64/mpqcformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpqcformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/mpqcformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/mpqcformat.so CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Built target mpqcformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/msmsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 60%] Building CXX object src/formats/CMakeFiles/msiformat.dir/msiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmsiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/msiformat.dir/msiformat.cpp.o -MF CMakeFiles/msiformat.dir/msiformat.cpp.o.d -o CMakeFiles/msiformat.dir/msiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp: In member function ‘virtual bool OpenBabel::MSIFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:77:17: warning: unused variable ‘title’ [-Wunused-variable]
   77 |     const char* title = pConv->GetTitle();
      |                 ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:193:28: warning: ‘atom’ may be used uninitialized [-Wmaybe-uninitialized]
  193 |             atom->SetVector(atof(vs[3].c_str()),
      |             ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~
  194 |                             atof(vs[4].c_str()),
      |                             ~~~~~~~~~~~~~~~~~~~~
  195 |                             atof(vs[5].c_str()));
      |                             ~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msiformat.cpp:109:13: note: ‘atom’ was declared here
  109 |     OBAtom *atom;
      |             ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/msmsformat.dir/msmsformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dmsmsformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/msmsformat.dir/msmsformat.cpp.o -MF CMakeFiles/msmsformat.dir/msmsformat.cpp.o.d -o CMakeFiles/msmsformat.dir/msmsformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msmsformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msmsformat.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/msmsformat.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Linking CXX shared module ../../lib64/msiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/msiformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/msiformat.so CMakeFiles/msiformat.dir/msiformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Built target msiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Linking CXX shared module ../../lib64/msmsformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msmsformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/msmsformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/msmsformat.so CMakeFiles/msmsformat.dir/msmsformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Built target msmsformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/outformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/outformat.dir/outformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Doutformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/outformat.dir/outformat.cpp.o -MF CMakeFiles/outformat.dir/outformat.cpp.o.d -o CMakeFiles/outformat.dir/outformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/outformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/outformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Building CXX object src/formats/CMakeFiles/opendxformat.dir/opendxformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dopendxformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/opendxformat.dir/opendxformat.cpp.o -MF CMakeFiles/opendxformat.dir/opendxformat.cpp.o.d -o CMakeFiles/opendxformat.dir/opendxformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/sstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/opendxformat.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:74:12: note:   by ‘double OpenBabel::OBGridData::GetValue(int, int, int) const’
   74 |     double GetValue(int i, int j, int k) const;
      |            ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Linking CXX shared module ../../lib64/outformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/outformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/outformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/outformat.so CMakeFiles/outformat.dir/outformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target outformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pcmodelformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/opendxformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/opendxformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/opendxformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/opendxformat.so CMakeFiles/opendxformat.dir/opendxformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target opendxformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pdbqtformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpcmodelformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o -MF CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o.d -o CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pcmodelformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pcmodelformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/pcmodelformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pcmodelformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pcmodelformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pcmodelformat.so CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target pcmodelformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpointcloudformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o -MF CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o.d -o CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp: In member function ‘virtual bool OpenBabel::PointCloudFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pointcloudformat.cpp:226:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<double>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  226 |     for( int j = 0; j < radius_mult_list.size(); j++ ) {
      |                     ~~^~~~~~~~~~~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/pointcloudformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pointcloudformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pointcloudformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pointcloudformat.so CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target pointcloudformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/posformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/posformat.dir/posformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dposformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/posformat.dir/posformat.cpp.o -MF CMakeFiles/posformat.dir/posformat.cpp.o.d -o CMakeFiles/posformat.dir/posformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/posformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/posformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpdbqtformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o -MF CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o.d -o CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘bool OpenBabel::OutputTree(OBConversion*, OBMol&, std::ostream&, std::map<unsigned int, branch>&, unsigned int, bool, bool)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:581:20: warning: unused variable ‘child’ [-Wunused-variable]
  581 |       unsigned int child=i;
      |                    ^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘bool OpenBabel::Separate_preserve_charges(OBMol&, std::vector<OBMol>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:797:9: warning: unused variable ‘fragments’ [-Wunused-variable]
  797 |     int fragments = 0;
      |         ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:750:16: warning: ‘unsigned int OpenBabel::AtomsSoFar(const std::map<unsigned int, branch>&, unsigned int)’ defined but not used [-Wunused-function]
  750 |   unsigned int AtomsSoFar(const map <unsigned int, branch> & tree, unsigned int depth)
      |                ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:345:52: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  345 |       snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                    ^
In file included from /usr/include/stdio.h:967,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:345:15:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In function ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:363:60: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  363 |           snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                            ^
In function ‘snprintf’,
    inlined from ‘OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::basic_ostream<char, std::char_traits<char> >&, unsigned int)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:363:19:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp: In member function ‘OpenBabel::PDBQTFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pdbqtformat.cpp:923:22: warning: ‘strncpy’ specified bound 10 equals destination size [-Wstringop-truncation]
  923 |               strncpy(type_name, OBElements::GetSymbol(rotBondTable[rotBondId][bondAtomNum]->GetAtomicNum()), sizeof(type_name));
      |                      ^
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/posformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/posformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/posformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/posformat.so CMakeFiles/posformat.dir/posformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target posformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pqrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/pdbqtformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbqtformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pdbqtformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pdbqtformat.so CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target pdbqtformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/shelxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/pqrformat.dir/pqrformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpqrformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pqrformat.dir/pqrformat.cpp.o -MF CMakeFiles/pqrformat.dir/pqrformat.cpp.o.d -o CMakeFiles/pqrformat.dir/pqrformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:16:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In function ‘double OpenBabel::parseAtomCharge(char*, OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:207:13: warning: unused variable ‘atom’ [-Wunused-variable]
  207 |     OBAtom *atom = mol.GetAtom(mol.NumAtoms());
      |             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In function ‘double OpenBabel::parseAtomRadius(char*, OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:222:13: warning: unused variable ‘atom’ [-Wunused-variable]
  222 |     OBAtom *atom = mol.GetAtom(mol.NumAtoms());
      |             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In member function ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:511:58: warning: ‘__snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=]
  511 |             snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                          ^
In file included from /usr/include/stdio.h:967,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:511:21:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 11 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp: In member function ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:528:66: warning: ‘%-3s’ directive output may be truncated writing between 3 and 15 bytes into a region of size 9 [-Wformat-truncation=]
  528 |                     snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                                  ^~~~   ~~~
In function ‘snprintf’,
    inlined from ‘OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/pqrformat.cpp:528:29:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 17 bytes into a destination of size 10
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/shelxformat.dir/shelxformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dshelxformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/shelxformat.dir/shelxformat.cpp.o -MF CMakeFiles/shelxformat.dir/shelxformat.cpp.o.d -o CMakeFiles/shelxformat.dir/shelxformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/shelxformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/shelxformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/matrix3x3.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/shelxformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/pqrformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pqrformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pqrformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pqrformat.so CMakeFiles/pqrformat.dir/pqrformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target pqrformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/shelxformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/shelxformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/shelxformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/shelxformat.so CMakeFiles/shelxformat.dir/shelxformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target shelxformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/stlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/stlformat.dir/stlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dstlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/stlformat.dir/stlformat.cpp.o -MF CMakeFiles/stlformat.dir/stlformat.cpp.o.d -o CMakeFiles/stlformat.dir/stlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp: In function ‘void OpenBabel::map_sphere(std::vector<Triangle>&, vector3, double, uint16_t)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/stlformat.cpp:157:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::vector3>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  157 |     for( int i=0 ; i < points.size()-2; i++ ) {
      |                    ~~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/stlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/stlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/stlformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/stlformat.so CMakeFiles/stlformat.dir/stlformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target stlformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/thermoformat.dir/thermoformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dthermoformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/thermoformat.dir/thermoformat.cpp.o -MF CMakeFiles/thermoformat.dir/thermoformat.cpp.o.d -o CMakeFiles/thermoformat.dir/thermoformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/thermoformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/thermoformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/thermoformat.cpp:21:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Building CXX object src/formats/CMakeFiles/smileyformat.dir/smileyformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dsmileyformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/smileyformat.dir/smileyformat.cpp.o -MF CMakeFiles/smileyformat.dir/smileyformat.cpp.o.d -o CMakeFiles/smileyformat.dir/smileyformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp: In member function ‘void OpenBabel::OpenBabelCallback::setChiral(int, Smiley::Chirality, const std::vector<int>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘NotChiral’ not handled in switch [-Wswitch]
  158 |       switch (chirality) {
      |              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TH1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TH2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘AL1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘AL2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘SP1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘SP2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘SP3’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB3’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB4’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB5’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB6’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB7’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB8’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB9’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB10’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB11’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB12’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB13’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB14’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB15’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB16’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB17’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB18’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB19’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘TB20’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH1’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH2’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH3’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH4’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH5’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH6’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH7’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH8’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH9’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH10’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH11’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH12’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH13’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH14’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH15’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH16’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH17’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH18’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH19’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH20’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH21’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH22’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH23’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH24’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH25’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH26’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH27’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH28’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH29’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:158:14: warning: enumeration value ‘OH30’ not handled in switch [-Wswitch]
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h: In instantiation of ‘void Smiley::Parser<Callback>::processStereochemistry() [with Callback = OpenBabel::OpenBabelCallback]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2707:9:   required from ‘void Smiley::Parser<Callback>::parse(const std::string&) [with Callback = OpenBabel::OpenBabelCallback; std::string = std::__cxx11::basic_string<char>]’
 2707 |         processStereochemistry();
      |         ^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:370:19:   required from here
  370 |       parser.parse(smiles);
      |       ~~~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2642:43: warning: comparison of integer expressions of different signedness: ‘std::vector<int>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 2642 |           if (m_chiralInfo[i].nbrs.size() != expectedValence && m_exceptions & InvalidChiralValence)
      |               ~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h: In instantiation of ‘Smiley::Parser<Callback>::RingBondInfo::RingBondInfo(int, int, bool, bool, bool, std::size_t) [with Callback = OpenBabel::OpenBabelCallback; std::size_t = long unsigned int]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2409:41:   required from ‘void Smiley::Parser<Callback>::processRingBond(int, std::size_t) [with Callback = OpenBabel::OpenBabelCallback; std::size_t = long unsigned int]’
 2409 |           m_ringBonds[m_prev].push_back(RingBondInfo(rnum, m_bondOrder, m_isUp, m_isDown, m_explicitBond, pos));
      |                                         ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2429:11:   required from ‘void Smiley::Parser<Callback>::parseRingBond() [with Callback = OpenBabel::OpenBabelCallback]’
 2429 |           processRingBond(m_str[m_pos] - '0', m_pos);
      |           ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2507:13:   required from ‘void Smiley::Parser<Callback>::parseChain() [with Callback = OpenBabel::OpenBabelCallback]’
 2507 |             parseRingBond();
      |             ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:2698:9:   required from ‘void Smiley::Parser<Callback>::parse(const std::string&) [with Callback = OpenBabel::OpenBabelCallback; std::string = std::__cxx11::basic_string<char>]’
 2698 |         parseChain();
      |         ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smileyformat.cpp:370:19:   required from here
  370 |       parser.parse(smiles);
      |       ~~~~~~~~~~~~^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:986:14: warning: ‘Smiley::Parser<OpenBabel::OpenBabelCallback>::RingBondInfo::isExplicit’ will be initialized after [-Wreorder]
  986 |         bool isExplicit;
      |              ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:981:21: warning:   ‘std::size_t Smiley::Parser<OpenBabel::OpenBabelCallback>::RingBondInfo::pos’ [-Wreorder]
  981 |         std::size_t pos;
      |                     ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/smiley.h:974:9: warning:   when initialized here [-Wreorder]
  974 |         RingBondInfo(int number_, int order_, bool isUp_, bool isDown_,
      |         ^~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Linking CXX shared module ../../lib64/thermoformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/thermoformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/thermoformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/thermoformat.so CMakeFiles/thermoformat.dir/thermoformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 63%] Built target thermoformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/tinkerformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 63%] Building CXX object src/formats/CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dtinkerformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o -MF CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o.d -o CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp: In function ‘int OpenBabel::SetMM3Type(OBAtom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp:415:11: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  415 |           if (b->GetHyb() == 2) // S=C
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/tinkerformat.cpp:416:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  416 |             countNeighborC++; break;
      |                               ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 63%] Linking CXX shared module ../../lib64/tinkerformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/tinkerformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/tinkerformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/tinkerformat.so CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 63%] Built target tinkerformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 63%] Linking CXX shared module ../../lib64/smileyformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smileyformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/smileyformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/smileyformat.so CMakeFiles/smileyformat.dir/smileyformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/build
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 63%] Built target smileyformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 63%] Building CXX object src/formats/CMakeFiles/unichemformat.dir/unichemformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dunichemformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/unichemformat.dir/unichemformat.cpp.o -MF CMakeFiles/unichemformat.dir/unichemformat.cpp.o.d -o CMakeFiles/unichemformat.dir/unichemformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/unichemformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/unichemformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 63%] Building CXX object src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dviewmolformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o -MF CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o.d -o CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/viewmolformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/viewmolformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 64%] Linking CXX shared module ../../lib64/unichemformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/unichemformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/unichemformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/unichemformat.so CMakeFiles/unichemformat.dir/unichemformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 64%] Built target unichemformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/wlnformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 64%] Linking CXX shared module ../../lib64/viewmolformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/viewmolformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/viewmolformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/viewmolformat.so CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 65%] Built target viewmolformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 65%] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wlnformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dwlnformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/wlnformat.dir/wlnformat.cpp.o -MF CMakeFiles/wlnformat.dir/wlnformat.cpp.o.d -o CMakeFiles/wlnformat.dir/wlnformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp: In member function ‘virtual bool OpenBabel::WLNFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wlnformat.cpp:138:17: warning: unused variable ‘title’ [-Wunused-variable]
  138 |     const char* title = pConv->GetTitle();
      |                 ^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 65%] Building CXX object src/formats/CMakeFiles/xedformat.dir/xedformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxedformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xedformat.dir/xedformat.cpp.o -MF CMakeFiles/xedformat.dir/xedformat.cpp.o.d -o CMakeFiles/xedformat.dir/xedformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xedformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xedformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 65%] Linking CXX shared module ../../lib64/xedformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xedformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/xedformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/xedformat.so CMakeFiles/xedformat.dir/xedformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 65%] Built target xedformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/xyzformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 65%] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dwlnformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o -MF CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o.d -o CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/wln-nextmove.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Building CXX object src/formats/CMakeFiles/xyzformat.dir/xyzformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxyzformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xyzformat.dir/xyzformat.cpp.o -MF CMakeFiles/xyzformat.dir/xyzformat.cpp.o.d -o CMakeFiles/xyzformat.dir/xyzformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xyzformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xyzformat.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Linking CXX shared module ../../lib64/xyzformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xyzformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/xyzformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/xyzformat.so CMakeFiles/xyzformat.dir/xyzformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Built target xyzformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Linking CXX shared module ../../lib64/wlnformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/wlnformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/wlnformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/wlnformat.so CMakeFiles/wlnformat.dir/wlnformat.cpp.o "CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o"  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Built target wlnformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Building CXX object src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dyasaraformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o -MF CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o.d -o CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:34:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In function ‘OpenBabel::mobatom* OpenBabel::mob_next(mobatom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:45:33: warning: dereferencing type-punned pointer will break strict-aliasing rules [-Wstrict-aliasing]
   45 | #define mem_inc(POINTER,INC) (*((char**)&(POINTER))+=(INC))
      |                                ~^~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:227:3: note: in expansion of macro ‘mem_inc’
  227 | { mem_inc(atom,mob_atomsize(atom));
      |   ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In member function ‘virtual bool OpenBabel::YOBFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:374:21: warning: variable ‘reslen’ set but not used [-Wunused-but-set-variable]
  374 |   int /*samenames,*/reslen,charged;
      |                     ^~~~~~
In file included from /usr/include/string.h:548,
                 from /usr/include/c++/15/cstring:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:29:
In function ‘memcpy’,
    inlined from ‘OpenBabel::YOBFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:440:82:
/usr/include/bits/string_fortified.h:29:33: warning: ‘memcpy’ accessing 4 bytes at offsets 0 and 1 overlaps 3 bytes at offset 1 [-Wrestrict]
   29 |   return __builtin___memcpy_chk (__dest, __src, __len,
      |          ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
   30 |                                  __glibc_objsize0 (__dest));
      |                                  ~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In member function ‘OpenBabel::YOBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:572:36: warning: ‘__snprintf_chk’ output truncated before the last format character [-Wformat-truncation=]
  572 |       snprintf(&buffer[12], 4, "%4d",res->GetNum()); }
      |                                    ^
In file included from /usr/include/stdio.h:967,
                 from /usr/include/c++/15/cstdio:47,
                 from /usr/include/c++/15/ext/string_conversions.h:47,
                 from /usr/include/c++/15/bits/basic_string.h:4230,
                 from /usr/include/c++/15/string:56:
In function ‘snprintf’,
    inlined from ‘OpenBabel::YOBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:572:15:
/usr/include/bits/stdio2.h:68:35: note: ‘__snprintf_chk’ output between 5 and 12 bytes into a destination of size 4
   68 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   69 |                                    __glibc_objsize (__s), __fmt,
      |                                    ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   70 |                                    __va_arg_pack ());
      |                                    ~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp: In function ‘OpenBabel::mob_getid(OpenBabel::atomid*, OpenBabel::mobatom*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:245:26: warning: array subscript 4 is above array bounds of ‘int32[4]’ [-Warray-bounds=]
  245 |   { inscodealtloc=int32le(atom->link[idpos++]);
      |                   ~~~~~~~^~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:192:9: note: while referencing ‘link’
  192 |   int32 link[4]; };
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:253:60: warning: array subscript 4 is above array bounds of ‘int32[4]’ [-Warray-bounds=]
  253 |   if (flags&MOB_SEGMENTFLAG) id->segment=atom->link[idpos++];
      |                                          ~~~~~~~~~~~~~~~~~~^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/yasaraformat.cpp:192:9: note: while referencing ‘link’
  192 |   int32 link[4]; };
      |         ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Linking CXX shared module ../../lib64/yasaraformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/yasaraformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/yasaraformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/yasaraformat.so CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Built target yasaraformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Building CXX object src/formats/CMakeFiles/rxnformat.dir/rxnformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Drxnformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/rxnformat.dir/rxnformat.cpp.o -MF CMakeFiles/rxnformat.dir/rxnformat.cpp.o.d -o CMakeFiles/rxnformat.dir/rxnformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp:18:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp: In member function ‘virtual bool OpenBabel::RXNFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rxnformat.cpp:196:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  196 |       for (int i=0; i<num_components; i++)
      |                     ~^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 67%] Linking CXX shared module ../../lib64/rxnformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rxnformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/rxnformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/rxnformat.so CMakeFiles/rxnformat.dir/rxnformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 67%] Built target rxnformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chemkinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 67%] Building CXX object src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemdrawcdx_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o -MF CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o.d -o CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:18:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp: In member function ‘bool OpenBabel::ChemDrawBinaryXFormat::DoReaction(OpenBabel::CDXReader&, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:338:25: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  338 |       for(unsigned i=0;i<cdxr.GetLen()/4;++i)//for each reactant id
      |                        ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:352:25: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  352 |       for(unsigned i=0;i<cdxr.GetLen()/4;++i)//for each product id
      |                        ~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp: In member function ‘bool OpenBabel::ChemDrawBinaryXFormat::DoFragment(OpenBabel::CDXReader&, OpenBabel::OBMol*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:449:21: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  449 |   for(int idx=1; idx<=pmol->NumAtoms();++idx)
      |                  ~~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp: In member function ‘bool OpenBabel::ChemDrawBinaryXFormat::DoFragmentImpl(OpenBabel::CDXReader&, OpenBabel::OBMol*, std::map<int, unsigned int>&, std::map<OpenBabel::OBBond*, OpenBabel::OBStereo::BondDirection>&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:477:27: warning: variable ‘hasElement’ set but not used [-Wunused-but-set-variable]
  477 |       bool isAlias=false, hasElement=false;
      |                           ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:621:17: warning: ‘bgnIdx’ may be used uninitialized [-Wmaybe-uninitialized]
  621 |       if(!order || !bgnIdx || !endIdx)
      |          ~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:580:20: note: ‘bgnIdx’ was declared here
  580 |       int order=1, bgnIdx, endIdx ;
      |                    ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:621:28: warning: ‘endIdx’ may be used uninitialized [-Wmaybe-uninitialized]
  621 |       if(!order || !bgnIdx || !endIdx)
      |          ~~~~~~~~~~~~~~~~~~^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemdrawcdx.cpp:580:28: note: ‘endIdx’ was declared here
  580 |       int order=1, bgnIdx, endIdx ;
      |                            ^~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 67%] Linking CXX shared module ../../lib64/chemdrawcdx.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawcdx.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chemdrawcdx.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemdrawcdx.so CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 67%] Built target chemdrawcdx
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/rinchiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 67%] Building CXX object src/formats/CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemkinformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o -MF CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o.d -o CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:18:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp: In member function ‘bool OpenBabel::ChemKinFormat::ReadReactionQualifierLines(std::istream&, OpenBabel::OBReaction*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:640:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  640 |       for(int i=0;i<toks.size()-1;++i)//also incremented in body to retrieve id,val pairs
      |                   ~^~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp: In member function ‘bool OpenBabel::ChemKinFormat::WriteReactionLine(OpenBabel::OBReaction*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:911:11: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  911 |     switch(pRD->ReactionType)
      |           ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:911:11: warning: enumeration value ‘THREEBODY’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:990:11: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  990 |     switch(pRD->ReactionType)
      |           ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/chemkinformat.cpp:990:11: warning: enumeration value ‘SRI’ not handled in switch [-Wswitch]
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 68%] Building CXX object src/formats/CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Drinchiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o -MF CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o.d -o CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rinchiformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rinchiformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rinchiformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 69%] Linking CXX shared module ../../lib64/rinchiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rinchiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/rinchiformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/rinchiformat.so CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 69%] Built target rinchiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/rsmiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 69%] Linking CXX shared module ../../lib64/chemkinformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemkinformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chemkinformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemkinformat.so CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 69%] Built target chemkinformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 69%] Building CXX object src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Drsmiformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o -MF CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o.d -o CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:19:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/rsmiformat.cpp:24:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 69%] Building CXX object src/formats/CMakeFiles/png2format.dir/png2format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpng2format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/png2format.dir/png2format.cpp.o -MF CMakeFiles/png2format.dir/png2format.cpp.o.d -o CMakeFiles/png2format.dir/png2format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp: In member function ‘virtual bool OpenBabel::PNG2Format::WriteChemObject(OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp:105:42: warning: comparison of integer expressions of different signedness: ‘std::vector<OpenBabel::OBBase*>::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  105 |   bool nomore = _nmax && (_objects.size()==_nmax);
      |                           ~~~~~~~~~~~~~~~^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/png2format.cpp:135:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<OpenBabel::OBBase*>::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
  135 |       pConv->SetLast(n==_objects.size());
      |                      ~^~~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 70%] Linking CXX shared module ../../lib64/rsmiformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rsmiformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/rsmiformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/rsmiformat.so CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 70%] Built target rsmiformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 70%] Building CXX object src/formats/CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpng2format_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o -MF CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o.d -o CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/depict/cairopainter.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 70%] Linking CXX shared module ../../lib64/png2format.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/png2format.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/png2format.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/png2format.so CMakeFiles/png2format.dir/png2format.cpp.o CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 70%] Built target png2format
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 70%] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o -MF CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o.d -o CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cdxmlformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cdxmlformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 71%] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 72%] Linking CXX shared module ../../lib64/cdxmlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cdxmlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cdxmlformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cdxmlformat.so CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 72%] Built target cdxmlformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 72%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/cmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cmlformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pubchem.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 72%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/pubchem.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpubchem_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pubchem.dir/xml/pubchem.cpp.o -MF CMakeFiles/pubchem.dir/xml/pubchem.cpp.o.d -o CMakeFiles/pubchem.dir/xml/pubchem.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/pubchem.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/pubchem.cpp:17:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 71%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o -MF CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o.d -o CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/math/matrix3x3.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘bool OpenBabel::CMLFormat::DoHCounts()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:967:25: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  967 |           if(it->second == atom->GetIdx())
      |              ~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘void OpenBabel::CMLFormat::WriteMetadataList(OpenBabel::OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:1269:26: warning: unused variable ‘C_TITLE’ [-Wunused-variable]
 1269 |     static const xmlChar C_TITLE[]        = "title";
      |                          ^~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘std::string OpenBabel::CMLFormat::getTimestr()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:1319:12: warning: variable ‘time_res’ set but not used [-Wunused-but-set-variable]
 1319 |     size_t time_res;                             /* Result of strftime                */
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘virtual bool OpenBabel::CMLFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:1366:26: warning: unused variable ‘C_DESCRIPTION’ [-Wunused-variable]
 1366 |     static const xmlChar C_DESCRIPTION[]      = "description";
      |                          ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp: In member function ‘bool OpenBabel::CMLFormat::WriteVibrationData(OpenBabel::OBMol&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlformat.cpp:2308:26: warning: unused variable ‘C_SCALAR’ [-Wunused-variable]
 2308 |     static const xmlChar C_SCALAR[]       = "scalar";
      |                          ^~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 73%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpubchem_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pubchem.dir/xml/xml.cpp.o -MF CMakeFiles/pubchem.dir/xml/xml.cpp.o.d -o CMakeFiles/pubchem.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 73%] Linking CXX shared module ../../lib64/pubchem.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pubchem.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pubchem.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pubchem.so CMakeFiles/pubchem.dir/xml/pubchem.cpp.o CMakeFiles/pubchem.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 73%] Built target pubchem
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/xmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o -MF CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o.d -o CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xmlformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xmlformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dxmlformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/xmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/xmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/xmlformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Linking CXX shared module ../../lib64/xmlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xmlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/xmlformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/xmlformat.so CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o CMakeFiles/xmlformat.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Built target xmlformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cmlreactformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 73%] Linking CXX shared module ../../lib64/cmlformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cmlformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cmlformat.so CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o CMakeFiles/cmlformat.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Built target cmlformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chemdoodlejsonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o -MF CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o.d -o CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:48,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘virtual bool OpenBabel::CMLReactFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:520:12: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  520 |   for(i=0;i<pReact->NumReactants();i++)
      |           ~^~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:542:12: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  542 |   for(i=0;i<pReact->NumProducts();i++)
      |           ~^~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘bool OpenBabel::CMLReactFormat::WriteRateData(OpenBabel::OBReaction*, xmlChar*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:706:9: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  706 |   switch(pRD->ReactionType)
      |         ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:734:9: warning: enumeration value ‘ARRHENIUS’ not handled in switch [-Wswitch]
  734 |   switch(pRD->ReactionType)
      |         ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:734:9: warning: enumeration value ‘SRI’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘void OpenBabel::CMLReactFormat::WriteMetadataList(OpenBabel::OBReaction&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:773:26: warning: unused variable ‘C_TITLE’ [-Wunused-variable]
  773 |     static const xmlChar C_TITLE[]        = "title";
      |                          ^~~~~~~
In file included from /usr/include/c++/15/string:56,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:45:
In member function ‘std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >::_M_check(unsigned long, char const*) const’,
    inlined from ‘std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >::substr(unsigned long, unsigned long) const’ at /usr/include/c++/15/bits/basic_string.h:3238:52,
    inlined from ‘OpenBabel::CMLReactFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:616:24:
/usr/include/c++/15/bits/basic_string.h:398:9: warning: ‘mollistPos’ may be used uninitialized [-Wmaybe-uninitialized]
  398 |         if (__pos > this->size())
      |         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp: In member function ‘OpenBabel::CMLReactFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/cmlreactformat.cpp:607:38: note: ‘mollistPos’ was declared here
  607 |       string::size_type reaclistPos, mollistPos, footerPos;
      |                                      ^~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o -MF CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/xml.h:21,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/xml/xml.cpp:15:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Building CXX object src/formats/CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dchemdoodlejsonformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o -MF CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o.d -o CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_tree.h:67,
                 from /usr/include/c++/15/map:64,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp: In member function ‘virtual bool OpenBabel::ChemDoodleJSONFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/chemdoodlejsonformat.cpp:115:30: warning: comparison of integer expressions of different signedness: ‘rapidjson::SizeType’ {aka ‘unsigned int’} and ‘int’ [-Wsign-compare]
  115 |       if (inRoot["m"].Size() > currentMolIndex) {
      |           ~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 75%] Linking CXX shared module ../../lib64/cmlreactformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlreactformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/cmlreactformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/cmlreactformat.so CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o  -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 75%] Built target cmlreactformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pubchemjsonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 75%] Linking CXX shared module ../../lib64/chemdoodlejsonformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdoodlejsonformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/chemdoodlejsonformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/chemdoodlejsonformat.so CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 75%] Built target chemdoodlejsonformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obabel.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 75%] Building CXX object tools/CMakeFiles/obabel.dir/obabel.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obabel.dir/obabel.cpp.o -MF CMakeFiles/obabel.dir/obabel.cpp.o.d -o CMakeFiles/obabel.dir/obabel.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obabel.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obabel.cpp:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obabel.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 76%] Linking CXX executable ../bin/obabel
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obabel.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obabel.dir/link.d CMakeFiles/obabel.dir/obabel.cpp.o -o ../bin/obabel  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 76%] Built target obabel
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obconformer.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 76%] Building CXX object tools/CMakeFiles/obconformer.dir/obconformer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obconformer.dir/obconformer.cpp.o -MF CMakeFiles/obconformer.dir/obconformer.cpp.o.d -o CMakeFiles/obconformer.dir/obconformer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obconformer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:28,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obconformer.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/forcefield.h:22:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 76%] Linking CXX executable ../bin/obconformer
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obconformer.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obconformer.dir/link.d CMakeFiles/obconformer.dir/obconformer.cpp.o -o ../bin/obconformer  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 76%] Built target obconformer
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obenergy.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Building CXX object tools/CMakeFiles/obenergy.dir/obenergy.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obenergy.dir/obenergy.cpp.o -MF CMakeFiles/obenergy.dir/obenergy.cpp.o.d -o CMakeFiles/obenergy.dir/obenergy.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obenergy.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obenergy.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obenergy.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Linking CXX executable ../bin/obenergy
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obenergy.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obenergy.dir/link.d CMakeFiles/obenergy.dir/obenergy.cpp.o -o ../bin/obenergy  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Built target obenergy
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obfit.dir/build.make tools/CMakeFiles/obfit.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obfit.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obfit.dir/build.make tools/CMakeFiles/obfit.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 75%] Building CXX object src/formats/CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dpubchemjsonformat_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/inchi -I/usr/include/libxml2 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT src/formats/CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o -MF CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o.d -o CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obmolecformat.h:36,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:21:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/stl_tree.h:67,
                 from /usr/include/c++/15/map:64,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:17:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp: In member function ‘virtual bool OpenBabel::PubChemJSONFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:121:41: warning: comparison of integer expressions of different signedness: ‘rapidjson::SizeType’ {aka ‘unsigned int’} and ‘int’ [-Wsign-compare]
  121 |       if (inRoot["PC_Compounds"].Size() > currentMolIndex) {
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/json/pubchemjsonformat.cpp:131:42: warning: comparison of integer expressions of different signedness: ‘rapidjson::SizeType’ {aka ‘unsigned int’} and ‘int’ [-Wsign-compare]
  131 |       if (inRoot["PC_Substances"].Size() > currentMolIndex) {
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Building CXX object tools/CMakeFiles/obfit.dir/obfit.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obfit.dir/obfit.cpp.o -MF CMakeFiles/obfit.dir/obfit.cpp.o.d -o CMakeFiles/obfit.dir/obfit.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfit.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfit.cpp:37:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfit.cpp:35:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Linking CXX executable ../bin/obfit
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obfit.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obfit.dir/link.d CMakeFiles/obfit.dir/obfit.cpp.o -o ../bin/obfit  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Built target obfit
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obfitall.dir/build.make tools/CMakeFiles/obfitall.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obfitall.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obfitall.dir/build.make tools/CMakeFiles/obfitall.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Building CXX object tools/CMakeFiles/obfitall.dir/obfitall.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obfitall.dir/obfitall.cpp.o -MF CMakeFiles/obfitall.dir/obfitall.cpp.o.d -o CMakeFiles/obfitall.dir/obfitall.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp:40:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp:35:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obfitall.cpp:219:18: warning: unused variable ‘best_rmsd’ [-Wunused-variable]
  219 |           double best_rmsd = 999.999;
      |                  ^~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 78%] Linking CXX executable ../bin/obfitall
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obfitall.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obfitall.dir/link.d CMakeFiles/obfitall.dir/obfitall.cpp.o -o ../bin/obfitall  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 78%] Built target obfitall
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obgen.dir/build.make tools/CMakeFiles/obgen.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obgen.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obgen.dir/build.make tools/CMakeFiles/obgen.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 78%] Building CXX object tools/CMakeFiles/obgen.dir/obgen.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obgen.dir/obgen.cpp.o -MF CMakeFiles/obgen.dir/obgen.cpp.o.d -o CMakeFiles/obgen.dir/obgen.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgen.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgen.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgen.cpp:30:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Linking CXX shared module ../../lib64/pubchemjsonformat.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pubchemjsonformat.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/pubchemjsonformat.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../../lib64/pubchemjsonformat.so CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o  -lm -ldl -lz -lcairo -linchi -lm ../../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 78%] Built target pubchemjsonformat
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obminimize.dir/build.make tools/CMakeFiles/obminimize.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obminimize.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obminimize.dir/build.make tools/CMakeFiles/obminimize.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 78%] Linking CXX executable ../bin/obgen
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgen.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obgen.dir/link.d CMakeFiles/obgen.dir/obgen.cpp.o -o ../bin/obgen  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 78%] Built target obgen
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obmm.dir/build.make tools/CMakeFiles/obmm.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obmm.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obmm.dir/build.make tools/CMakeFiles/obmm.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 78%] Building CXX object tools/CMakeFiles/obminimize.dir/obminimize.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obminimize.dir/obminimize.cpp.o -MF CMakeFiles/obminimize.dir/obminimize.cpp.o.d -o CMakeFiles/obminimize.dir/obminimize.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obminimize.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obminimize.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obminimize.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 78%] Building CXX object tools/CMakeFiles/obmm.dir/obmm.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obmm.dir/obmm.cpp.o -MF CMakeFiles/obmm.dir/obmm.cpp.o.d -o CMakeFiles/obmm.dir/obmm.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obmm.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obmm.cpp:58:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obmm.cpp:54:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 79%] Linking CXX executable ../bin/obminimize
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obminimize.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obminimize.dir/link.d CMakeFiles/obminimize.dir/obminimize.cpp.o -o ../bin/obminimize  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 79%] Built target obminimize
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obprobe.dir/build.make tools/CMakeFiles/obprobe.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obprobe.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 79%] Linking CXX executable ../bin/obmm
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obmm.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obmm.dir/link.d CMakeFiles/obmm.dir/obmm.cpp.o -o ../bin/obmm  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 79%] Built target obmm
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obprop.dir/build.make tools/CMakeFiles/obprop.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obprop.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obprop.dir/build.make tools/CMakeFiles/obprop.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 79%] Building CXX object tools/CMakeFiles/obprobe.dir/obprobe.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obprobe.dir/obprobe.cpp.o -MF CMakeFiles/obprobe.dir/obprobe.cpp.o.d -o CMakeFiles/obprobe.dir/obprobe.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp:31:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:74:12: note:   by ‘double OpenBabel::OBGridData::GetValue(int, int, int) const’
   74 |     double GetValue(int i, int j, int k) const;
      |            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprobe.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 80%] Building CXX object tools/CMakeFiles/obprop.dir/obprop.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obprop.dir/obprop.cpp.o -MF CMakeFiles/obprop.dir/obprop.cpp.o.d -o CMakeFiles/obprop.dir/obprop.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprop.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/descriptor.h:27,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprop.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obprop.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 80%] Linking CXX executable ../bin/obprobe
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obprobe.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obprobe.dir/link.d CMakeFiles/obprobe.dir/obprobe.cpp.o -o ../bin/obprobe  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 80%] Built target obprobe
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrotamer.dir/build.make tools/CMakeFiles/obrotamer.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obrotamer.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obprop.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obprop.dir/link.d CMakeFiles/obprop.dir/obprop.cpp.o -o ../bin/obprop  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrotate.dir/build.make tools/CMakeFiles/obrotate.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obrotate.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrotate.dir/build.make tools/CMakeFiles/obrotate.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 80%] Building CXX object tools/CMakeFiles/obrotamer.dir/obrotamer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obrotamer.dir/obrotamer.cpp.o -MF CMakeFiles/obrotamer.dir/obrotamer.cpp.o.d -o CMakeFiles/obrotamer.dir/obrotamer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotamer.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/../src/rand.cpp:428:15: warning: ‘void OpenBabel::GenerateSequence(unsigned int, unsigned int, unsigned int, unsigned int)’ defined but not used [-Wunused-function]
  428 |   static void GenerateSequence( unsigned int p, unsigned int m,
      |               ^~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 80%] Building CXX object tools/CMakeFiles/obrotate.dir/obrotate.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obrotate.dir/obrotate.cpp.o -MF CMakeFiles/obrotate.dir/obrotate.cpp.o.d -o CMakeFiles/obrotate.dir/obrotate.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:43:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:38:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp: In function ‘main’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:175:28: warning: ‘a2’ may be used uninitialized [-Wmaybe-uninitialized]
  175 |       if ( !a2->IsConnected(a3) ) {
      |             ~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:16: note: ‘a2’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:175:28: warning: ‘a3’ may be used uninitialized [-Wmaybe-uninitialized]
  175 |       if ( !a2->IsConnected(a3) ) {
      |             ~~~~~~~~~~~~~~~^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:21: note: ‘a3’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:181:23: warning: ‘a1’ may be used uninitialized [-Wmaybe-uninitialized]
  181 |         mol.SetTorsion(a1, a2, a3, a4, angle * DEG_TO_RAD);
      |         ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:11: note: ‘a1’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:181:23: warning: ‘a4’ may be used uninitialized [-Wmaybe-uninitialized]
  181 |         mol.SetTorsion(a1, a2, a3, a4, angle * DEG_TO_RAD);
      |         ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrotate.cpp:52:26: note: ‘a4’ was declared here
   52 |   OBAtom *a1, *a2, *a3, *a4;
      |                          ^~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 81%] Linking CXX executable ../bin/obrotamer
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrotamer.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obrotamer.dir/link.d CMakeFiles/obrotamer.dir/obrotamer.cpp.o -o ../bin/obrotamer  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 81%] Built target obrotamer
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obsym.dir/build.make tools/CMakeFiles/obsym.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obsym.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obsym.dir/build.make tools/CMakeFiles/obsym.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 81%] Linking CXX executable ../bin/obrotate
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrotate.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obrotate.dir/link.d CMakeFiles/obrotate.dir/obrotate.cpp.o -o ../bin/obrotate  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 82%] Built target obrotate
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obtautomer.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 82%] Building CXX object tools/CMakeFiles/obsym.dir/obsym.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obsym.dir/obsym.cpp.o -MF CMakeFiles/obsym.dir/obsym.cpp.o.d -o CMakeFiles/obsym.dir/obsym.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obsym.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obsym.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obsym.cpp:28:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 82%] Linking CXX executable ../bin/obsym
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obsym.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obsym.dir/link.d CMakeFiles/obsym.dir/obsym.cpp.o -o ../bin/obsym  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 82%] Built target obsym
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obthermo.dir/build.make tools/CMakeFiles/obthermo.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 82%] Building CXX object tools/CMakeFiles/obtautomer.dir/obtautomer.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obtautomer.dir/obtautomer.cpp.o -MF CMakeFiles/obtautomer.dir/obtautomer.cpp.o.d -o CMakeFiles/obtautomer.dir/obtautomer.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obtautomer.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obtautomer.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obtautomer.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obthermo.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obthermo.dir/build.make tools/CMakeFiles/obthermo.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 82%] Linking CXX executable ../bin/obtautomer
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obtautomer.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obtautomer.dir/link.d CMakeFiles/obtautomer.dir/obtautomer.cpp.o -o ../bin/obtautomer  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 82%] Built target obtautomer
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obdistgen.dir/build.make tools/CMakeFiles/obdistgen.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obdistgen.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obdistgen.dir/build.make tools/CMakeFiles/obdistgen.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 82%] Building CXX object tools/CMakeFiles/obthermo.dir/obthermo.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obthermo.dir/obthermo.cpp.o -MF CMakeFiles/obthermo.dir/obthermo.cpp.o.d -o CMakeFiles/obthermo.dir/obthermo.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:159:18: warning: unused variable ‘Rgas’ [-Wunused-variable]
  159 |           double Rgas  = 1.9872041; // cal/mol K
      |                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obthermo.cpp:42:10: warning: variable ‘bKJ’ set but not used [-Wunused-but-set-variable]
   42 |   bool   bKJ   = false;
      |          ^~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 83%] Linking CXX executable ../bin/obthermo
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obthermo.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obthermo.dir/link.d CMakeFiles/obthermo.dir/obthermo.cpp.o -o ../bin/obthermo  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 83%] Built target obthermo
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obgrep.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 82%] Building CXX object tools/CMakeFiles/obdistgen.dir/obdistgen.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obdistgen.dir/obdistgen.cpp.o -MF CMakeFiles/obdistgen.dir/obdistgen.cpp.o.d -o CMakeFiles/obdistgen.dir/obdistgen.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:25,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obdistgen.cpp:108:34: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  108 |       for (unsigned int n = 0; n < mol.NumConformers();++n)
      |                                ~~^~~~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 83%] Linking CXX executable ../bin/obdistgen
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obdistgen.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obdistgen.dir/link.d CMakeFiles/obdistgen.dir/obdistgen.cpp.o -o ../bin/obdistgen  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 83%] Built target obdistgen
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obspectrophore.dir/build.make tools/CMakeFiles/obspectrophore.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obspectrophore.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obspectrophore.dir/build.make tools/CMakeFiles/obspectrophore.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 83%] Building CXX object tools/CMakeFiles/obgrep.dir/obgrep.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obgrep.dir/obgrep.cpp.o -MF CMakeFiles/obgrep.dir/obgrep.cpp.o.d -o CMakeFiles/obgrep.dir/obgrep.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgrep.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgrep.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obgrep.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 83%] Linking CXX executable ../bin/obgrep
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgrep.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obgrep.dir/link.d CMakeFiles/obgrep.dir/obgrep.cpp.o -o ../bin/obgrep  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 83%] Built target obgrep
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrms.dir/build.make tools/CMakeFiles/obrms.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obrms.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obrms.dir/build.make tools/CMakeFiles/obrms.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 83%] Building CXX object tools/CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -MF CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o.d -o CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obspectrophore.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obspectrophore.cpp:10:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obspectrophore.cpp:1:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 83%] Building CXX object tools/CMakeFiles/obrms.dir/obrms.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT tools/CMakeFiles/obrms.dir/obrms.cpp.o -MF CMakeFiles/obrms.dir/obrms.cpp.o.d -o CMakeFiles/obrms.dir/obrms.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp:31:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp: In function ‘int main(int, char**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools/obrms.cpp:219:14: warning: unused variable ‘help’ [-Wunused-variable]
  219 |         bool help = false;
      |              ^~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 83%] Linking CXX executable ../bin/obrms
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrms.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obrms.dir/link.d CMakeFiles/obrms.dir/obrms.cpp.o -o ../bin/obrms  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 83%] Built target obrms
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/GUI /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/GUI/CMakeFiles/obgui.dir/DependInfo.cmake "--color="
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obspectrophore.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obspectrophore.dir/link.d CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -o ../bin/obspectrophore  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 84%] Building CXX object test/CMakeFiles/test_runner.dir/test_runner.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/test_runner.cpp.o -MF CMakeFiles/test_runner.dir/test_runner.cpp.o.d -o CMakeFiles/test_runner.dir/test_runner.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/test_runner.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 84%] Building CXX object test/CMakeFiles/test_runner.dir/aligntest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/aligntest.cpp.o -MF CMakeFiles/test_runner.dir/aligntest.cpp.o.d -o CMakeFiles/test_runner.dir/aligntest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aligntest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aligntest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/aliastest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/aliastest.cpp.o -MF CMakeFiles/test_runner.dir/aliastest.cpp.o.d -o CMakeFiles/test_runner.dir/aliastest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp:14:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp: In member function ‘void AliasTestExample::test()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aliastest.cpp:52:18: warning: unused variable ‘ad’ [-Wunused-variable]
   52 |       AliasData* ad = nullptr;
      |                  ^~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/automorphismtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/automorphismtest.cpp.o -MF CMakeFiles/test_runner.dir/automorphismtest.cpp.o.d -o CMakeFiles/test_runner.dir/automorphismtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp: In function ‘bool doAutomorphismTest(OpenBabel::OBMol&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/automorphismtest.cpp:15:20: warning: comparison of integer expressions of different signedness: ‘std::vector<std::vector<std::pair<unsigned int, unsigned int> > >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
   15 |   return (G.size() == numAutomorphisms);
      |           ~~~~~~~~~^~~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/buildertest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/buildertest.cpp.o -MF CMakeFiles/test_runner.dir/buildertest.cpp.o.d -o CMakeFiles/test_runner.dir/buildertest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/buildertest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/buildertest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/buildertest.cpp:15:21: warning: ‘failed’ defined but not used [-Wunused-variable]
   15 | static unsigned int failed = 0;
      |                     ^~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 84%] Building CXX object src/GUI/CMakeFiles/obgui.dir/OBGUI.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/GUI && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT src/GUI/CMakeFiles/obgui.dir/OBGUI.cpp.o -MF CMakeFiles/obgui.dir/OBGUI.cpp.o.d -o CMakeFiles/obgui.dir/OBGUI.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:23:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/wx-3.2/wx/stringimpl.h:66,
                 from /usr/include/wx-3.2/wx/unichar.h:15,
                 from /usr/include/wx-3.2/wx/strvararg.h:19,
                 from /usr/include/wx-3.2/wx/string.h:37,
                 from /usr/include/wx-3.2/wx/memory.h:15,
                 from /usr/include/wx-3.2/wx/object.h:19,
                 from /usr/include/wx-3.2/wx/tokenzr.h:14,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:20:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./selformats.h: In member function ‘bool ActiveFormats::Add(wxString&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./selformats.h:82:66: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
   82 |                 return (ActiveFormatsString.find(format+_T(';')) != -1);
      |                         ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘virtual bool OBGUIApp::OnInit()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:129:21: warning: unused variable ‘splash’ [-Wunused-variable]
  129 |     wxSplashScreen* splash = new wxSplashScreen(bitmap,
      |                     ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::OnConvert(wxCommandEvent&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:589:9: warning: ignoring return value of ‘std::__cxx11::basic_istringstream<_CharT, _Traits, _Alloc>::__string_type std::__cxx11::basic_istringstream<_CharT, _Traits, _Alloc>::str() const [with _CharT = char; _Traits = std::char_traits<char>; _Alloc = std::allocator<char>; __string_type = std::__cxx11::basic_string<char>]’, declared with attribute ‘nodiscard’ [-Wunused-result]
  589 |   ss.str();
      |   ~~~~~~^~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:28:
/usr/include/c++/15/sstream:713:7: note: declared here
  713 |       str() const _GLIBCXX_LVAL_REF_QUAL
      |       ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::DisplayInputFiles(wxArrayString)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:766:12: warning: comparison of integer expressions of different signedness: ‘int’ and ‘size_t’ {aka ‘long unsigned int’} [-Wsign-compare]
  766 |   for(i=0;i<filepatharray.GetCount();++i)
      |           ~^~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘bool OBGUIFrame::SetChoice(wxChoice*, const wxString&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:890:22: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
  890 |   for(int iSel=0;iSel<pChoice->GetCount();iSel++)
      |                  ~~~~^~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘wxString OBGUIFrame::ShortenedPath(const wxString&, const wxWindow&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:934:10: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  934 |   if(pos1==wxNOT_FOUND || pos1+1 == path.length()) return path;
      |          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:936:10: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  936 |   if(pos1==wxNOT_FOUND || pos1+1 == path.length()) return path;
      |          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:943:12: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  943 |     if(pos2==wxNOT_FOUND || pos2+1 == tpath.length()) return path;
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:946:46: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
  946 |     if(tpath.find_first_of(_T("/\\"), pos2+1)==wxNOT_FOUND) return path;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::GetAvailableFormats()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1000:13: warning: comparison of integer expressions of different signedness: ‘int’ and ‘const size_t’ {aka ‘const long unsigned int’} [-Wsign-compare]
 1000 |       if(pos!=wxString::npos)
      |          ~~~^~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1005:11: warning: variable ‘n’ set but not used [-Wunused-but-set-variable]
 1005 |       int n;
      |           ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::MakePluginsMenu()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1101:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1101 |   for(int itop=0; itop < topvec.size(); ++itop)
      |                   ~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1109:26: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1109 |     for(int isub=0; isub < subvec.size(); ++isub)
      |                     ~~~~~^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp: In member function ‘void CFilenames::OnKeyPress(wxKeyEvent&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1187:50: warning: comparison of integer expressions of different signedness: ‘size_t’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare]
 1187 |       if(nameWithWildcard.find_first_of(_T("*?"))==wxNOT_FOUND)
      |                                                  ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/OBGUI.cpp:1203:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector<std::__cxx11::basic_string<char> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare]
 1203 |         for(i=0;i<filelist.size();++i)
      |                 ~^~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o -MF CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o.d -o CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonconsistenttest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonconsistenttest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o -MF CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o.d -o CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonfragmenttest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonfragmenttest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 85%] Building CXX object src/GUI/CMakeFiles/obgui.dir/stdwx.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/GUI && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT src/GUI/CMakeFiles/obgui.dir/stdwx.cpp.o -MF CMakeFiles/obgui.dir/stdwx.cpp.o.d -o CMakeFiles/obgui.dir/stdwx.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/stdwx.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:50,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/stdwx.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./babel.xpm:2:20: warning: ‘sample_xpm’ defined but not used [-Wunused-variable]
    2 | static const char *sample_xpm[] = {
      |                    ^~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 86%] Building CXX object test/CMakeFiles/test_runner.dir/canonstabletest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/canonstabletest.cpp.o -MF CMakeFiles/test_runner.dir/canonstabletest.cpp.o.d -o CMakeFiles/test_runner.dir/canonstabletest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonstabletest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/canonstabletest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 86%] Building CXX object test/CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o -MF CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o.d -o CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/carspacegrouptest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/carspacegrouptest.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 86%] Building CXX object src/GUI/CMakeFiles/obgui.dir/optswx.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/GUI && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/. -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT src/GUI/CMakeFiles/obgui.dir/optswx.cpp.o -MF CMakeFiles/obgui.dir/optswx.cpp.o.d -o CMakeFiles/obgui.dir/optswx.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./optswx.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:22:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/wx-3.2/wx/stringimpl.h:66,
                 from /usr/include/wx-3.2/wx/unichar.h:15,
                 from /usr/include/wx-3.2/wx/strvararg.h:19,
                 from /usr/include/wx-3.2/wx/string.h:37,
                 from /usr/include/wx-3.2/wx/memory.h:15,
                 from /usr/include/wx-3.2/wx/object.h:19,
                 from /usr/include/wx-3.2/wx/tokenzr.h:14,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:24,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:19:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp: In member function ‘bool DynOptionswx::Construct(const char*, const char*, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:130:17: warning: comparing the result of pointer addition ‘(p + -1)’ and NULL [-Waddress]
  130 |     while(p && p-1 && *p && *p!='\n') //loop for all options until blank line
      |                ~^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:223:16: warning: suggest parentheses around assignment used as truth value [-Wparentheses]
  223 |         if(pdef=strcasestr(pCaption,"default"))
      |            ~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:226:17: warning: unused variable ‘tok’ [-Wunused-variable]
  226 |           char* tok=strtok(pdef," :-\t</\"\'");
      |                 ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/optswx.cpp:293:60: warning: statement has no effect [-Wunused-value]
  293 |           strcasecmp(pdef,"no") && !strcasecmp(pdef,"not") && strcasecmp(pdef,"none");
      |           ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./stdwx.h:50:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./babel.xpm: At global scope:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI/./babel.xpm:2:20: warning: ‘sample_xpm’ defined but not used [-Wunused-variable]
    2 | static const char *sample_xpm[] = {
      |                    ^~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 86%] Building CXX object test/CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o -MF CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o.d -o CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cifspacegrouptest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cifspacegrouptest.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 86%] Building CXX object test/CMakeFiles/test_runner.dir/cistranstest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cistranstest.cpp.o -MF CMakeFiles/test_runner.dir/cistranstest.cpp.o.d -o CMakeFiles/test_runner.dir/cistranstest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cistranstest.cpp
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cistranstest.cpp:146:3: warning: multi-line comment [-Wcomment]
  146 |   //  / \      |   |      /         / \
      |   ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cistranstest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 86%] Building CXX object test/CMakeFiles/test_runner.dir/conversiontest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/conversiontest.cpp.o -MF CMakeFiles/test_runner.dir/conversiontest.cpp.o.d -o CMakeFiles/test_runner.dir/conversiontest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversiontest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversiontest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/graphsymtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/graphsymtest.cpp.o -MF CMakeFiles/test_runner.dir/graphsymtest.cpp.o.d -o CMakeFiles/test_runner.dir/graphsymtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp: In function ‘void countGraphSymClassesTest(const std::string&, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp:110:16: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  110 |   OB_ASSERT( n == numberOfClasses);
      |              ~~^~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:27:6: note: in definition of macro ‘OB_ASSERT’
   27 |   ( (exp) ? static_cast<void>(0) : report_error(#exp, __FILE__, __LINE__, FUNCTION_SIGNATURE, false) )
      |      ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/graphsymtest.cpp:111:9: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
  111 |   if (n != numberOfClasses) {
      |       ~~^~~~~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 86%] Linking CXX executable ../../bin/obgui
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/GUI && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgui.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/obgui.dir/link.d CMakeFiles/obgui.dir/OBGUI.cpp.o CMakeFiles/obgui.dir/stdwx.cpp.o CMakeFiles/obgui.dir/optswx.cpp.o -o ../../bin/obgui  ../../lib64/libopenbabel.so.7.0.0 -pthread -lwx_baseu-3.2 -lwx_gtk3u_core-3.2 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 87%] Built target obgui
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/gziptest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/gziptest.cpp.o -MF CMakeFiles/test_runner.dir/gziptest.cpp.o.d -o CMakeFiles/test_runner.dir/gziptest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/gziptest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/gziptest.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/gziptest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/addhtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/addhtest.cpp.o -MF CMakeFiles/test_runner.dir/addhtest.cpp.o.d -o CMakeFiles/test_runner.dir/addhtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/addhtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/depend
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/addhtest.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/addhtest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/CMakeFiles/test_inchiwrite.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/implicitHtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/implicitHtest.cpp.o -MF CMakeFiles/test_runner.dir/implicitHtest.cpp.o.d -o CMakeFiles/test_runner.dir/implicitHtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/implicitHtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/implicitHtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 88%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o -MF CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o.d -o CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchiwrite.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchiwrite.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchiwrite.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 88%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -MF CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o.d -o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats/getinchi.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 88%] Linking CXX executable ../bin/test_inchiwrite
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/test_inchiwrite.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/test_inchiwrite.dir/link.d CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -o ../bin/test_inchiwrite  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 88%] Built target test_inchiwrite
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/CMakeFiles/roundtrip.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/lssrtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/lssrtest.cpp.o -MF CMakeFiles/test_runner.dir/lssrtest.cpp.o.d -o CMakeFiles/test_runner.dir/lssrtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp: In function ‘bool verifyLSSR(const std::string&, const LSSR&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/lssrtest.cpp:173:8: warning: unused variable ‘fail’ [-Wunused-variable]
  173 |   bool fail = false;
      |        ^~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 88%] Building CXX object test/CMakeFiles/roundtrip.dir/roundtrip.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/roundtrip.dir/roundtrip.cpp.o -MF CMakeFiles/roundtrip.dir/roundtrip.cpp.o.d -o CMakeFiles/roundtrip.dir/roundtrip.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/roundtrip.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/roundtrip.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/roundtrip.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 89%] Linking CXX executable ../bin/roundtrip
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/roundtrip.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/roundtrip.dir/link.d CMakeFiles/roundtrip.dir/roundtrip.cpp.o -o ../bin/roundtrip  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 89%] Built target roundtrip
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/isomorphismtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/isomorphismtest.cpp.o -MF CMakeFiles/test_runner.dir/isomorphismtest.cpp.o.d -o CMakeFiles/test_runner.dir/isomorphismtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:114:3: warning: multi-line comment [-Wcomment]
  114 |   //     /\ /\ /\
      |   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:165:3: warning: multi-line comment [-Wcomment]
  165 |   //     /\ /\ /\
      |   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:187:3: warning: multi-line comment [-Wcomment]
  187 |   //     /\ /\ /\
      |   ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/isomorphismtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/multicmltest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/multicmltest.cpp.o -MF CMakeFiles/test_runner.dir/multicmltest.cpp.o.d -o CMakeFiles/test_runner.dir/multicmltest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/multicmltest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/multicmltest.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/multicmltest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/periodictest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/periodictest.cpp.o -MF CMakeFiles/test_runner.dir/periodictest.cpp.o.d -o CMakeFiles/test_runner.dir/periodictest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/periodictest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/periodictest.cpp:20:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h: In instantiation of ‘void ob_compare(T1, T2, const char*, const char*, int, const char*) [with T1 = unsigned int; T2 = int]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/periodictest.cpp:91:3:   required from here
   36 |   ob_compare(a, b, OB_EXPR( a == b ), __FILE__, __LINE__, FUNCTION_SIGNATURE)
      |   ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:22:11: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
   22 |   if (!(a == b))
      |        ~~~^~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 90%] Generating /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp, /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel.py
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/swig -python -c++ -small -O -templatereduce -naturalvar -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp -DHAVE_EIGEN -DHAVE_EIGEN3 -outdir /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/openbabel-python.i
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored)
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/isomorphism.h:160: Warning 325: Nested class not currently supported (Functor ignored)
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/spectrophore.h:571: Warning 312: Nested struct not currently supported (ignored).
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/spectrophore.h:578: Warning 312: Nested struct not currently supported (ignored).
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts/CMakeFiles/bindings_python.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/regressionstest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/regressionstest.cpp.o -MF CMakeFiles/test_runner.dir/regressionstest.cpp.o.d -o CMakeFiles/test_runner.dir/regressionstest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp: In function ‘void test_ChemDraw_Basic()’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp:70:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘unsigned int’ [-Wsign-compare]
   70 |   for (int i=0; i<size; ++i) {
      |                 ~^~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h: In instantiation of ‘void ob_compare(T1, T2, const char*, const char*, int, const char*) [with T1 = unsigned int; T2 = int]’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/regressionstest.cpp:242:3:   required from here
   36 |   ob_compare(a, b, OB_EXPR( a == b ), __FILE__, __LINE__, FUNCTION_SIGNATURE)
      |   ~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:22:11: warning: comparison of integer expressions of different signedness: ‘unsigned int’ and ‘int’ [-Wsign-compare]
   22 |   if (!(a == b))
      |        ~~~^~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/rotortest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/rotortest.cpp.o -MF CMakeFiles/test_runner.dir/rotortest.cpp.o.d -o CMakeFiles/test_runner.dir/rotortest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/rotortest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/rotortest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/shuffletest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/shuffletest.cpp.o -MF CMakeFiles/test_runner.dir/shuffletest.cpp.o.d -o CMakeFiles/test_runner.dir/shuffletest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/shuffletest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/shuffletest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/smilestest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smilestest.cpp.o -MF CMakeFiles/test_runner.dir/smilestest.cpp.o.d -o CMakeFiles/test_runner.dir/smilestest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp: In function ‘void genericSmilesCanonicalTest(const std::string&)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:246:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  246 |       if (tetrahedral1[i].center == tetrahedral2[j].center)
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:248:9: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  248 |         if ( tetrahedral1[i] != tetrahedral2[j] ) {
      |         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:268:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
  268 |       if (squareplanar1[i].center == squareplanar2[j].center)
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilestest.cpp:270:9: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  270 |         if ( squareplanar1[i] != squareplanar2[j] ) {
      |         ^~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/spectrophoretest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/spectrophoretest.cpp.o -MF CMakeFiles/test_runner.dir/spectrophoretest.cpp.o.d -o CMakeFiles/test_runner.dir/spectrophoretest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/spectrophoretest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/spectrophoretest.cpp:3:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/spectrophoretest.cpp:1:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/squareplanartest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/squareplanartest.cpp.o -MF CMakeFiles/test_runner.dir/squareplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/squareplanartest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp:56:3: warning: multi-line comment [-Wcomment]
   56 |   //  / \      |   |     |/  |      / \
      |   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp:99:3: warning: multi-line comment [-Wcomment]
   99 |   //  / \      |   |     |/  |      / \
      |   ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/squareplanartest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/stereotest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/stereotest.cpp.o -MF CMakeFiles/test_runner.dir/stereotest.cpp.o.d -o CMakeFiles/test_runner.dir/stereotest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp: In function ‘bool doStereoPerception(OpenBabel::OBMol&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘ExtendedCisTrans’ not handled in switch [-Wswitch]
  102 |     switch (units.at(i).type) {
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘SquarePlanar’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘ExtendedTetrahedral’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘TrigonalBipyramidal’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:102:12: warning: enumeration value ‘Octahedral’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp: In function ‘bool doStereoPerception2(OpenBabel::OBMol&, int, int)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘ExtendedCisTrans’ not handled in switch [-Wswitch]
  132 |     switch (units.at(i).type) {
      |            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘SquarePlanar’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘ExtendedTetrahedral’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘TrigonalBipyramidal’ not handled in switch [-Wswitch]
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereotest.cpp:132:12: warning: enumeration value ‘Octahedral’ not handled in switch [-Wswitch]
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o -MF CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o.d -o CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:255:5: warning: multi-line comment [-Wcomment]
  255 |     //         /    \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:270:5: warning: multi-line comment [-Wcomment]
  270 |     //         /    \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:285:5: warning: multi-line comment [-Wcomment]
  285 |     //         \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:287:5: warning: multi-line comment [-Wcomment]
  287 |     //              \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:310:5: warning: multi-line comment [-Wcomment]
  310 |     //              \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:329:5: warning: multi-line comment [-Wcomment]
  329 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:339:5: warning: multi-line comment [-Wcomment]
  339 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:349:5: warning: multi-line comment [-Wcomment]
  349 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:366:5: warning: multi-line comment [-Wcomment]
  366 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:377:5: warning: multi-line comment [-Wcomment]
  377 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:390:5: warning: multi-line comment [-Wcomment]
  390 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:401:5: warning: multi-line comment [-Wcomment]
  401 |     //          / \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:432:5: warning: multi-line comment [-Wcomment]
  432 |     //   \
      |     ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:434:5: warning: multi-line comment [-Wcomment]
  434 |     //        \
      |     ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/stereoperceptiontest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tautomertest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tautomertest.cpp.o -MF CMakeFiles/test_runner.dir/tautomertest.cpp.o.d -o CMakeFiles/test_runner.dir/tautomertest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tautomertest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tautomertest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o -MF CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o.d -o CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetrahedraltest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetrahedraltest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o -MF CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetranonplanartest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetranonplanartest.cpp:22:1: warning: multi-line comment [-Wcomment]
   22 | //         \
      | ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetranonplanartest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tetraplanartest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tetraplanartest.cpp.o -MF CMakeFiles/test_runner.dir/tetraplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/tetraplanartest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetraplanartest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetraplanartest.cpp:11:1: warning: multi-line comment [-Wcomment]
   11 | //         \
      | ^
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/tetraplanartest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/uniqueidtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/uniqueidtest.cpp.o -MF CMakeFiles/test_runner.dir/uniqueidtest.cpp.o.d -o CMakeFiles/test_runner.dir/uniqueidtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/uniqueidtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/uniqueidtest.cpp:1:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/bits/ostream.h:43,
                 from /usr/include/c++/15/ostream:42,
                 from /usr/include/c++/15/iostream:43,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:4:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/aromatest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/aromatest.cpp.o -MF CMakeFiles/test_runner.dir/aromatest.cpp.o.d -o CMakeFiles/test_runner.dir/aromatest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aromatest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aromatest.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/aromatest.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/atom.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/atom.cpp.o -MF CMakeFiles/test_runner.dir/atom.cpp.o.d -o CMakeFiles/test_runner.dir/atom.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/atom.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/atom.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/atom.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/bond.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/bond.cpp.o -MF CMakeFiles/test_runner.dir/bond.cpp.o.d -o CMakeFiles/test_runner.dir/bond.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/bond.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/bond.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/bond.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/cansmi.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cansmi.cpp.o -MF CMakeFiles/test_runner.dir/cansmi.cpp.o.d -o CMakeFiles/test_runner.dir/cansmi.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cansmi.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cansmi.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cansmi.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/charge_mmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/charge_mmff94.cpp.o -MF CMakeFiles/test_runner.dir/charge_mmff94.cpp.o.d -o CMakeFiles/test_runner.dir/charge_mmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_mmff94.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_mmff94.cpp:13:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_mmff94.cpp:10:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o -MF CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o.d -o CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_gasteiger.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_gasteiger.cpp:13:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/charge_gasteiger.cpp:10:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/conversion.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/conversion.cpp.o -MF CMakeFiles/test_runner.dir/conversion.cpp.o.d -o CMakeFiles/test_runner.dir/conversion.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversion.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversion.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/conversion.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/datatest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/datatest.cpp.o -MF CMakeFiles/test_runner.dir/datatest.cpp.o.d -o CMakeFiles/test_runner.dir/datatest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/datatest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/ffgaff.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffgaff.cpp.o -MF CMakeFiles/test_runner.dir/ffgaff.cpp.o.d -o CMakeFiles/test_runner.dir/ffgaff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffgaff.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffgaff.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffgaff.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ffghemical.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffghemical.cpp.o -MF CMakeFiles/test_runner.dir/ffghemical.cpp.o.d -o CMakeFiles/test_runner.dir/ffghemical.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffghemical.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffghemical.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffghemical.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ffmmff94.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffmmff94.cpp.o -MF CMakeFiles/test_runner.dir/ffmmff94.cpp.o.d -o CMakeFiles/test_runner.dir/ffmmff94.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffmmff94.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.h:8,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffmmff94.cpp:28:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffmmff94.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ffuff.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffuff.cpp.o -MF CMakeFiles/test_runner.dir/ffuff.cpp.o.d -o CMakeFiles/test_runner.dir/ffuff.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffuff.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffuff.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ffuff.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/formalcharge.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/formalcharge.cpp.o -MF CMakeFiles/test_runner.dir/formalcharge.cpp.o.d -o CMakeFiles/test_runner.dir/formalcharge.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formalcharge.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formalcharge.cpp:29:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formalcharge.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/format.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/format.cpp.o -MF CMakeFiles/test_runner.dir/format.cpp.o.d -o CMakeFiles/test_runner.dir/format.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/format.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/format.cpp:27:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/format.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/formula.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/formula.cpp.o -MF CMakeFiles/test_runner.dir/formula.cpp.o.d -o CMakeFiles/test_runner.dir/formula.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formula.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formula.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/formula.cpp:26:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/internalcoord.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/internalcoord.cpp.o -MF CMakeFiles/test_runner.dir/internalcoord.cpp.o.d -o CMakeFiles/test_runner.dir/internalcoord.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/internalcoord.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/internalcoord.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/internalcoord.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/invalidsmarts.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/invalidsmarts.cpp.o -MF CMakeFiles/test_runner.dir/invalidsmarts.cpp.o.d -o CMakeFiles/test_runner.dir/invalidsmarts.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmarts.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/invalidsmiles.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/invalidsmiles.cpp.o -MF CMakeFiles/test_runner.dir/invalidsmiles.cpp.o.d -o CMakeFiles/test_runner.dir/invalidsmiles.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmiles.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmiles.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/invalidsmiles.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/iterators.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/iterators.cpp.o -MF CMakeFiles/test_runner.dir/iterators.cpp.o.d -o CMakeFiles/test_runner.dir/iterators.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/iterators.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/iterators.cpp:32:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/iterators.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/logp_psa.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/logp_psa.cpp.o -MF CMakeFiles/test_runner.dir/logp_psa.cpp.o.d -o CMakeFiles/test_runner.dir/logp_psa.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/logp_psa.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/logp_psa.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/logp_psa.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/math.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/math.cpp.o -MF CMakeFiles/test_runner.dir/math.cpp.o.d -o CMakeFiles/test_runner.dir/math.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/math.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/math.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/../src/rand.cpp:428:15: warning: ‘void OpenBabel::GenerateSequence(unsigned int, unsigned int, unsigned int, unsigned int)’ defined but not used [-Wunused-function]
  428 |   static void GenerateSequence( unsigned int p, unsigned int m,
      |               ^~~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/mol.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/mol.cpp.o -MF CMakeFiles/test_runner.dir/mol.cpp.o.d -o CMakeFiles/test_runner.dir/mol.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/mol.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/mol.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/mol.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/pdbreadfile.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/pdbreadfile.cpp.o -MF CMakeFiles/test_runner.dir/pdbreadfile.cpp.o.d -o CMakeFiles/test_runner.dir/pdbreadfile.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/pdbreadfile.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/pdbreadfile.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/pdbreadfile.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/phmodel.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/phmodel.cpp.o -MF CMakeFiles/test_runner.dir/phmodel.cpp.o.d -o CMakeFiles/test_runner.dir/phmodel.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/phmodel.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/phmodel.cpp:25:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/phmodel.cpp:24:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/residue.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/residue.cpp.o -MF CMakeFiles/test_runner.dir/residue.cpp.o.d -o CMakeFiles/test_runner.dir/residue.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/residue.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/residue.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/residue.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/ringtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ringtest.cpp.o -MF CMakeFiles/test_runner.dir/ringtest.cpp.o.d -o CMakeFiles/test_runner.dir/ringtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ringtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ringtest.cpp:33:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/ringtest.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/smartstest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smartstest.cpp.o -MF CMakeFiles/test_runner.dir/smartstest.cpp.o.d -o CMakeFiles/test_runner.dir/smartstest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartstest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartstest.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartstest.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/smartsparse.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smartsparse.cpp.o -MF CMakeFiles/test_runner.dir/smartsparse.cpp.o.d -o CMakeFiles/test_runner.dir/smartsparse.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smartsparse.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/smilesmatch.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smilesmatch.cpp.o -MF CMakeFiles/test_runner.dir/smilesmatch.cpp.o.d -o CMakeFiles/test_runner.dir/smilesmatch.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilesmatch.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilesmatch.cpp:30:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/bits/locale_classes.h:42,
                 from /usr/include/c++/15/bits/ios_base.h:43,
                 from /usr/include/c++/15/ios:46,
                 from /usr/include/c++/15/istream:42,
                 from /usr/include/c++/15/fstream:42,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/smilesmatch.cpp:27:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/unitcell.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/unitcell.cpp.o -MF CMakeFiles/test_runner.dir/unitcell.cpp.o.d -o CMakeFiles/test_runner.dir/unitcell.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/unitcell.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/cmlreadfile.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cmlreadfile.cpp.o -MF CMakeFiles/test_runner.dir/cmlreadfile.cpp.o.d -o CMakeFiles/test_runner.dir/cmlreadfile.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cmlreadfile.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cmlreadfile.cpp:26:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/bits/refwrap.h:41,
                 from /usr/include/c++/15/vector:70,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/mol.h:44,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/cmlreadfile.cpp:25:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/obtest.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/g++ -DFORMATDIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIE -MD -MT test/CMakeFiles/test_runner.dir/obtest.cpp.o -MF CMakeFiles/test_runner.dir/obtest.cpp.o.d -o CMakeFiles/test_runner.dir/obtest.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/obtest.cpp
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/test_runner.dir/link.txt --verbose=1
/usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -rdynamic -Wl,--dependency-file=CMakeFiles/test_runner.dir/link.d CMakeFiles/test_runner.dir/test_runner.cpp.o CMakeFiles/test_runner.dir/aligntest.cpp.o CMakeFiles/test_runner.dir/aliastest.cpp.o CMakeFiles/test_runner.dir/automorphismtest.cpp.o CMakeFiles/test_runner.dir/buildertest.cpp.o CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o CMakeFiles/test_runner.dir/canonstabletest.cpp.o CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o CMakeFiles/test_runner.dir/cistranstest.cpp.o CMakeFiles/test_runner.dir/conversiontest.cpp.o CMakeFiles/test_runner.dir/graphsymtest.cpp.o CMakeFiles/test_runner.dir/gziptest.cpp.o CMakeFiles/test_runner.dir/addhtest.cpp.o CMakeFiles/test_runner.dir/implicitHtest.cpp.o CMakeFiles/test_runner.dir/lssrtest.cpp.o CMakeFiles/test_runner.dir/isomorphismtest.cpp.o CMakeFiles/test_runner.dir/multicmltest.cpp.o CMakeFiles/test_runner.dir/periodictest.cpp.o CMakeFiles/test_runner.dir/regressionstest.cpp.o CMakeFiles/test_runner.dir/rotortest.cpp.o CMakeFiles/test_runner.dir/shuffletest.cpp.o CMakeFiles/test_runner.dir/smilestest.cpp.o CMakeFiles/test_runner.dir/spectrophoretest.cpp.o CMakeFiles/test_runner.dir/squareplanartest.cpp.o CMakeFiles/test_runner.dir/stereotest.cpp.o CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o CMakeFiles/test_runner.dir/tautomertest.cpp.o CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o CMakeFiles/test_runner.dir/tetraplanartest.cpp.o CMakeFiles/test_runner.dir/uniqueidtest.cpp.o CMakeFiles/test_runner.dir/aromatest.cpp.o CMakeFiles/test_runner.dir/atom.cpp.o CMakeFiles/test_runner.dir/bond.cpp.o CMakeFiles/test_runner.dir/cansmi.cpp.o CMakeFiles/test_runner.dir/charge_mmff94.cpp.o CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o CMakeFiles/test_runner.dir/conversion.cpp.o CMakeFiles/test_runner.dir/datatest.cpp.o CMakeFiles/test_runner.dir/ffgaff.cpp.o CMakeFiles/test_runner.dir/ffghemical.cpp.o CMakeFiles/test_runner.dir/ffmmff94.cpp.o CMakeFiles/test_runner.dir/ffuff.cpp.o CMakeFiles/test_runner.dir/formalcharge.cpp.o CMakeFiles/test_runner.dir/format.cpp.o CMakeFiles/test_runner.dir/formula.cpp.o CMakeFiles/test_runner.dir/internalcoord.cpp.o CMakeFiles/test_runner.dir/invalidsmarts.cpp.o CMakeFiles/test_runner.dir/invalidsmiles.cpp.o CMakeFiles/test_runner.dir/iterators.cpp.o CMakeFiles/test_runner.dir/logp_psa.cpp.o CMakeFiles/test_runner.dir/math.cpp.o CMakeFiles/test_runner.dir/mol.cpp.o CMakeFiles/test_runner.dir/pdbreadfile.cpp.o CMakeFiles/test_runner.dir/phmodel.cpp.o CMakeFiles/test_runner.dir/residue.cpp.o CMakeFiles/test_runner.dir/ringtest.cpp.o CMakeFiles/test_runner.dir/smartstest.cpp.o CMakeFiles/test_runner.dir/smartsparse.cpp.o CMakeFiles/test_runner.dir/smilesmatch.cpp.o CMakeFiles/test_runner.dir/unitcell.cpp.o CMakeFiles/test_runner.dir/cmlreadfile.cpp.o CMakeFiles/test_runner.dir/obtest.cpp.o -o ../bin/test_runner  ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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/usr/bin/make  -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/depend
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/swig -perl5 -c++ -small -O -templatereduce -naturalvar -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp -outdir /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/openbabel-perl.i
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored)
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cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts/CMakeFiles/bindings_perl.dir/DependInfo.cmake "--color="
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/usr/bin/make  -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/build
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[ 90%] Building CXX object scripts/CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbindings_python_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/python3.13 -I/usr/lib64/perl5/CORE -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT scripts/CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o -MF CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o.d -o CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp
In file included from /usr/include/python3.13/pyconfig.h:6,
                 from /usr/include/python3.13/Python.h:14,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:207:
/usr/include/python3.13/pyconfig-64.h:1943:9: warning: ‘_LARGEFILE_SOURCE’ redefined
 1943 | #define _LARGEFILE_SOURCE 1
      |         ^~~~~~~~~~~~~~~~~
<command-line>: note: this is the location of the previous definition
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3643:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3644:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:74:12: note:   by ‘double OpenBabel::OBGridData::GetValue(int, int, int) const’
   74 |     double GetValue(int i, int j, int k) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3651:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3658:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/stdexcept:41,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:3559:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_SwigPyIterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7756:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7756 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7756:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7756 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SwigPyIterator_incr(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7794:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_incr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7794:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_incr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7796:64: note: in expansion of macro ‘SWIG_fail’
 7796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7798:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7798:64: note: in expansion of macro ‘SWIG_fail’
 7798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SwigPyIterator_decr(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7825:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7825 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_decr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7825:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7825 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator_decr", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7827:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7827 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7827:64: note: in expansion of macro ‘SWIG_fail’
 7827 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7829:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7829 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:7829:64: note: in expansion of macro ‘SWIG_fail’
 7829 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SwigPyIterator___sub__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8018:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8018 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator___sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8018:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8018 |   if (!(argc = SWIG_Python_UnpackTuple(args, "SwigPyIterator___sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8022:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8022 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8022:64: note: in expansion of macro ‘SWIG_fail’
 8022 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setslice____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8104:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8104 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8104:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8104 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8125:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8125 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8125:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8125 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8127:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8127 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8127:64: note: in expansion of macro ‘SWIG_fail’
 8127 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8129:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8129 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8129:64: note: in expansion of macro ‘SWIG_fail’
 8129 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setitem____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8200:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8200 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8200:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8200 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___delitem____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8211:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8211 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8211:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8211 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8220:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8220 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8220:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8220 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8224:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8224 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8224:64: note: in expansion of macro ‘SWIG_fail’
 8224 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___getitem____SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8231:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8231 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8231:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8231 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8244:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8244 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8244:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8244 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8248:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8248 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8248:64: note: in expansion of macro ‘SWIG_fail’
 8248 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8268:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8268 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8268:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8268 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8270:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8270 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8270:64: note: in expansion of macro ‘SWIG_fail’
 8270 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8273:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8273 |     if (!_v) goto check_2; return _wrap_vectorInt___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8273:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8273 |     if (!_v) goto check_2; return _wrap_vectorInt___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8275:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8275:64: note: in expansion of macro ‘SWIG_fail’
 8275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8289:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8289 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8289:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8289 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8297:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8297 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8297:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8297 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorInt_clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8300:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8300 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8300:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8300 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__vectorT_int_t, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8328:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8328 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8328:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8328 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8331:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8331 |     if (!_v) goto check_2; return _wrap_new_vectorInt__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8331:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8331 |     if (!_v) goto check_2; return _wrap_new_vectorInt__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8334:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8334 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8334:64: note: in expansion of macro ‘SWIG_fail’
 8334 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_vectorInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8342:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8342 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8342:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8342 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8361:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8361 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8361:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8361 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8456:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8456 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8456:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8456 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8458:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8458 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8458:64: note: in expansion of macro ‘SWIG_fail’
 8458 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8460:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8460 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8460:64: note: in expansion of macro ‘SWIG_fail’
 8460 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8554:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8554 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8554:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8554 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8558:64: note: in expansion of macro ‘SWIG_fail’
 8558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8580:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8580 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8580:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8580 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8584:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8584:64: note: in expansion of macro ‘SWIG_fail’
 8584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorUnsignedInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8607:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8607 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8607:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8607 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorUnsignedInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8609:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8609 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8609:64: note: in expansion of macro ‘SWIG_fail’
 8609 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8614:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8614 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8614:64: note: in expansion of macro ‘SWIG_fail’
 8614 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorUnsignedInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8637:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8637 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8637:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8637 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorUnsignedInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8668:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8668 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorUnsignedInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8668:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8668 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorUnsignedInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8670:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8670 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8670:64: note: in expansion of macro ‘SWIG_fail’
 8670 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8674:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8674:64: note: in expansion of macro ‘SWIG_fail’
 8674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8676:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8676 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8676:64: note: in expansion of macro ‘SWIG_fail’
 8676 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8705:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8705 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8705:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8705 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8800:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8800 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8800:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8800 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setslice__", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8802:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8802 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8802:64: note: in expansion of macro ‘SWIG_fail’
 8802 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8804:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8804 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8804:64: note: in expansion of macro ‘SWIG_fail’
 8804 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8898:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8898 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8898:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8898 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8902:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8902 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8902:64: note: in expansion of macro ‘SWIG_fail’
 8902 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8923:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8923 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8923:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8923 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8927:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8927 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8927:64: note: in expansion of macro ‘SWIG_fail’
 8927 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8950:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8950 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8950:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8950 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8952:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8952 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8952:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8952 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorvInt___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8954:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8954 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8954:64: note: in expansion of macro ‘SWIG_fail’
 8954 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8959:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8959 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8959:64: note: in expansion of macro ‘SWIG_fail’
 8959 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8983:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8983 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:8983:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8983 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvInt__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9015:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9015 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9015:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9015 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9017:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9017 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9017:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9017 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9019:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9019:64: note: in expansion of macro ‘SWIG_fail’
 9019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9023:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9023 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9023:64: note: in expansion of macro ‘SWIG_fail’
 9023 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9025:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9025 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9025:64: note: in expansion of macro ‘SWIG_fail’
 9025 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9054 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9054:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9054 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9147:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9147 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9147:64: note: in expansion of macro ‘SWIG_fail’
 9147 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9149:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9149 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9149:64: note: in expansion of macro ‘SWIG_fail’
 9149 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9245:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9245 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9245:64: note: in expansion of macro ‘SWIG_fail’
 9245 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9269:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9269 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9269:64: note: in expansion of macro ‘SWIG_fail’
 9269 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorDouble___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9293:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9293:64: note: in expansion of macro ‘SWIG_fail’
 9293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9296:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9296 |     if (!_v) goto check_2; return _wrap_vectorDouble___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9296:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9296 |     if (!_v) goto check_2; return _wrap_vectorDouble___setitem____SWIG_0(self, argc, argv);}  check_2: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9298:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9298 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9298:64: note: in expansion of macro ‘SWIG_fail’
 9298 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorDouble__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9320:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9320 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9320:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9320 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorDouble(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9351:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9351 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorDouble", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9351:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9351 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorDouble", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9353:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9353 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9353:64: note: in expansion of macro ‘SWIG_fail’
 9353 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9357:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9357 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9357:64: note: in expansion of macro ‘SWIG_fail’
 9357 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9359:64: note: in expansion of macro ‘SWIG_fail’
 9359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9387:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9387 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9387:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9387 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9483:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9483:64: note: in expansion of macro ‘SWIG_fail’
 9483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9485:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9485 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9485:64: note: in expansion of macro ‘SWIG_fail’
 9485 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9578:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9578 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9578:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9578 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9582:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9582 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9582:64: note: in expansion of macro ‘SWIG_fail’
 9582 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9603:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9603 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9603:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9603 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9607:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9607 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9607:64: note: in expansion of macro ‘SWIG_fail’
 9607 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorULong___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9629:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9629 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9629:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9629 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorULong___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9631:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9631 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9631:64: note: in expansion of macro ‘SWIG_fail’
 9631 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9636:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9636:64: note: in expansion of macro ‘SWIG_fail’
 9636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorULong__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9659:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9659 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9659:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9659 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorULong(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9690:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9690 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorULong", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9690:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9690 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorULong", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9692:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9692 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9692:64: note: in expansion of macro ‘SWIG_fail’
 9692 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9696:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9696 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9696:64: note: in expansion of macro ‘SWIG_fail’
 9696 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9698:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9698 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9698:64: note: in expansion of macro ‘SWIG_fail’
 9698 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9727:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9727:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9823:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9823 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9823:64: note: in expansion of macro ‘SWIG_fail’
 9823 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9825:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9825 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9825:64: note: in expansion of macro ‘SWIG_fail’
 9825 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9921:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9921 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9921:64: note: in expansion of macro ‘SWIG_fail’
 9921 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9946:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9946 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9946:64: note: in expansion of macro ‘SWIG_fail’
 9946 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9967:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9967 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9967:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9967 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorString___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9971:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9971 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9971:64: note: in expansion of macro ‘SWIG_fail’
 9971 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9976:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9976:64: note: in expansion of macro ‘SWIG_fail’
 9976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorString__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9999:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9999 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:9999:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9999 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorString__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10019:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10019 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10019:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10019 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10029 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10029:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10029 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10031:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10031 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10031:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10031 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10033:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10033 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10033:64: note: in expansion of macro ‘SWIG_fail’
10033 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10037:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10037 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10037:64: note: in expansion of macro ‘SWIG_fail’
10037 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10039:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10039 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10039:64: note: in expansion of macro ‘SWIG_fail’
10039 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10068:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10068 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10068:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10068 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10165:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10165 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10165:64: note: in expansion of macro ‘SWIG_fail’
10165 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10167:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10167 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10167:64: note: in expansion of macro ‘SWIG_fail’
10167 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10265:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10265 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10265:64: note: in expansion of macro ‘SWIG_fail’
10265 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10290:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10290 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10290:64: note: in expansion of macro ‘SWIG_fail’
10290 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorVector3___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10316:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10316 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10316:64: note: in expansion of macro ‘SWIG_fail’
10316 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10321:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10321 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10321:64: note: in expansion of macro ‘SWIG_fail’
10321 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorVector3__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10345:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10345 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10345:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10345 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorVector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10378:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10378 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10378:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10378 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10380:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10380 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10380:64: note: in expansion of macro ‘SWIG_fail’
10380 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10384:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10384 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10384:64: note: in expansion of macro ‘SWIG_fail’
10384 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10386:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10386:64: note: in expansion of macro ‘SWIG_fail’
10386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10523:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10523 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10523:64: note: in expansion of macro ‘SWIG_fail’
10523 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10525:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10525:64: note: in expansion of macro ‘SWIG_fail’
10525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10637:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10637:64: note: in expansion of macro ‘SWIG_fail’
10637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10665:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10665 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10665:64: note: in expansion of macro ‘SWIG_fail’
10665 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10692:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10692 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10692:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10692 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorvVector3___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10696:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10696 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10696:64: note: in expansion of macro ‘SWIG_fail’
10696 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10701:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10701 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10701:64: note: in expansion of macro ‘SWIG_fail’
10701 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvVector3__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10717:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10717 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10717:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10717 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10726:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10726 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10726:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10726 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvVector3__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10748:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10748 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10748:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10748 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10759:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10759 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10759:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10759 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorvVector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10761:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10761 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10761:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10761 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorvVector3", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10763:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10763:64: note: in expansion of macro ‘SWIG_fail’
10763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10767:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10767:64: note: in expansion of macro ‘SWIG_fail’
10767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10769:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10769 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10769:64: note: in expansion of macro ‘SWIG_fail’
10769 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10798:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10798 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10798:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10798 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10895:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10895 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10895:64: note: in expansion of macro ‘SWIG_fail’
10895 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10897:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10897 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10897:64: note: in expansion of macro ‘SWIG_fail’
10897 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10991:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10991 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10991:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10991 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___delitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10995:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:10995:64: note: in expansion of macro ‘SWIG_fail’
10995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11016:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11016 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11016:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11016 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___getitem__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11020:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11020:64: note: in expansion of macro ‘SWIG_fail’
11020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBMol___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11044:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11044 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11044:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11044 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorOBMol___setitem__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11046:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11046:64: note: in expansion of macro ‘SWIG_fail’
11046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11051:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11051 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11051:64: note: in expansion of macro ‘SWIG_fail’
11051 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBMol__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11074:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11074 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11074:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11074 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11107:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11107 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11107:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11107 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11109:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11109 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11109:64: note: in expansion of macro ‘SWIG_fail’
11109 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11113:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11113 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11113:64: note: in expansion of macro ‘SWIG_fail’
11113 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11115:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11115 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11115:64: note: in expansion of macro ‘SWIG_fail’
11115 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11144:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11144 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11144:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11144 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11241:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11241:64: note: in expansion of macro ‘SWIG_fail’
11241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11243:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11243 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11243:64: note: in expansion of macro ‘SWIG_fail’
11243 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11341:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11341:64: note: in expansion of macro ‘SWIG_fail’
11341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11366:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11366 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11366:64: note: in expansion of macro ‘SWIG_fail’
11366 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBBond___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11392:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11392:64: note: in expansion of macro ‘SWIG_fail’
11392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11397:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11397 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11397:64: note: in expansion of macro ‘SWIG_fail’
11397 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11420:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11420 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11420:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11420 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11453:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11453 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11453:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11453 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11455:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11455 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11455:64: note: in expansion of macro ‘SWIG_fail’
11455 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11459:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11459 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11459:64: note: in expansion of macro ‘SWIG_fail’
11459 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11461:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11461 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11461:64: note: in expansion of macro ‘SWIG_fail’
11461 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11490:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11490 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11490:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11490 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11587:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11587 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11587:64: note: in expansion of macro ‘SWIG_fail’
11587 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11589:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11589 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11589:64: note: in expansion of macro ‘SWIG_fail’
11589 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11687:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11687 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11687:64: note: in expansion of macro ‘SWIG_fail’
11687 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11712:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11712:64: note: in expansion of macro ‘SWIG_fail’
11712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBResidue___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11739:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11739 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11739:64: note: in expansion of macro ‘SWIG_fail’
11739 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11744:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11744 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11744:64: note: in expansion of macro ‘SWIG_fail’
11744 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBResidue__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11768:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11768 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11768:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11768 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11801:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11801 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBResidue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11801:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11801 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBResidue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11803:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11803 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11803:64: note: in expansion of macro ‘SWIG_fail’
11803 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11807:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11807 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11807:64: note: in expansion of macro ‘SWIG_fail’
11807 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11809:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11809 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11809:64: note: in expansion of macro ‘SWIG_fail’
11809 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11838:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11838 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11838:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11838 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11935:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11935 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11935:64: note: in expansion of macro ‘SWIG_fail’
11935 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11937:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11937 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:11937:64: note: in expansion of macro ‘SWIG_fail’
11937 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12035:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12035 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12035:64: note: in expansion of macro ‘SWIG_fail’
12035 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12060:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12060 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12060:64: note: in expansion of macro ‘SWIG_fail’
12060 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorOBRing___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12086:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12086 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12086:64: note: in expansion of macro ‘SWIG_fail’
12086 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12091:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12091:64: note: in expansion of macro ‘SWIG_fail’
12091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12114:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12114 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12114:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12114 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorOBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12147:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12147 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12147:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12147 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12149:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12149 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12149:64: note: in expansion of macro ‘SWIG_fail’
12149 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12153:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12153 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12153:64: note: in expansion of macro ‘SWIG_fail’
12153 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12155:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12155:64: note: in expansion of macro ‘SWIG_fail’
12155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing_iterator(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12184:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12184 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12184:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12184 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12281:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12281 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12281:64: note: in expansion of macro ‘SWIG_fail’
12281 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12283:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12283 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12283:64: note: in expansion of macro ‘SWIG_fail’
12283 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12381:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12381:64: note: in expansion of macro ‘SWIG_fail’
12381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12405:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12405 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12405:64: note: in expansion of macro ‘SWIG_fail’
12405 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBRing___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12429:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12429 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12429:64: note: in expansion of macro ‘SWIG_fail’
12429 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12434:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12434 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12434:64: note: in expansion of macro ‘SWIG_fail’
12434 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12458:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12458 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12458:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12458 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBRing__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12479:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12479 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12479:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12479 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12489:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12489 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorpOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12489:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12489 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vectorpOBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12491:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12491 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12491:64: note: in expansion of macro ‘SWIG_fail’
12491 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12495:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12495 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12495:64: note: in expansion of macro ‘SWIG_fail’
12495 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12497:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12497 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12497:64: note: in expansion of macro ‘SWIG_fail’
12497 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___len__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12555:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12555 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12555:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12555 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12631:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12631 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12631:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12631 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12633:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12633:64: note: in expansion of macro ‘SWIG_fail’
12633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12635:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12635 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12635:64: note: in expansion of macro ‘SWIG_fail’
12635 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12739:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12739 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12739:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12739 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12743:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12743 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12743:64: note: in expansion of macro ‘SWIG_fail’
12743 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12766:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12766 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12766:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12766 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12770:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12770:64: note: in expansion of macro ‘SWIG_fail’
12770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBGenericData___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12796:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12796 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12796:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12796 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBGenericData___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12798:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12798:64: note: in expansion of macro ‘SWIG_fail’
12798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12804:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12804 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12804:64: note: in expansion of macro ‘SWIG_fail’
12804 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBGenericData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12828:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12828 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12828:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12828 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBGenericData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12863:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12863 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12863:64: note: in expansion of macro ‘SWIG_fail’
12863 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12867:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12867 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12867:64: note: in expansion of macro ‘SWIG_fail’
12867 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12869:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12869 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12869:64: note: in expansion of macro ‘SWIG_fail’
12869 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___len__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12927 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:12927:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12927 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13005:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13005 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13005:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13005 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setslice__", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13007:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13007 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13007:64: note: in expansion of macro ‘SWIG_fail’
13007 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13009:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13009 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13009:64: note: in expansion of macro ‘SWIG_fail’
13009 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13118:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13118 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13118:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13118 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___delitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13122:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13122 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13122:64: note: in expansion of macro ‘SWIG_fail’
13122 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13146 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13146:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13146 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___getitem__", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13150:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13150:64: note: in expansion of macro ‘SWIG_fail’
13150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vectorpOBInternalCoord___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13177:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13177 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13177:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13177 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vectorpOBInternalCoord___setitem__", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13179:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13179 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13179:64: note: in expansion of macro ‘SWIG_fail’
13179 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13185:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13185 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13185:64: note: in expansion of macro ‘SWIG_fail’
13185 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBInternalCoord__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13209:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13209 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13209:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13209 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vectorpOBInternalCoord(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13244:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13244 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13244:64: note: in expansion of macro ‘SWIG_fail’
13244 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13248:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13248 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13248:64: note: in expansion of macro ‘SWIG_fail’
13248 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13250:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13250 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13250:64: note: in expansion of macro ‘SWIG_fail’
13250 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_pairUIntUInt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13304:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13304 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13304:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13304 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_pairUIntUInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13306:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13306 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_pairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13306:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13306 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_pairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13308:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13308 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13308:64: note: in expansion of macro ‘SWIG_fail’
13308 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13310:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13310 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13310:64: note: in expansion of macro ‘SWIG_fail’
13310 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13312:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13312 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13312:64: note: in expansion of macro ‘SWIG_fail’
13312 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13487:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13487 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13487:64: note: in expansion of macro ‘SWIG_fail’
13487 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13489:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13489:64: note: in expansion of macro ‘SWIG_fail’
13489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13605:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13605 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13605:64: note: in expansion of macro ‘SWIG_fail’
13605 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13633:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13633:64: note: in expansion of macro ‘SWIG_fail’
13633 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13660:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13660 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13660:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13660 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vpairUIntUInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13664:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13664:64: note: in expansion of macro ‘SWIG_fail’
13664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13669:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13669 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13669:64: note: in expansion of macro ‘SWIG_fail’
13669 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13693:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13693 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13693:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13693 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13705:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13705 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13705:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13705 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13715:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13715 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13715:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13715 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13726:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13726 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13726:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13726 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vpairUIntUInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13728:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13728 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13728:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13728 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13730:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13730 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13730:64: note: in expansion of macro ‘SWIG_fail’
13730 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13734:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13734:64: note: in expansion of macro ‘SWIG_fail’
13734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13736:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13736 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13736:64: note: in expansion of macro ‘SWIG_fail’
13736 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___setslice__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13874:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13874 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13874:64: note: in expansion of macro ‘SWIG_fail’
13874 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13876:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13876 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13876:64: note: in expansion of macro ‘SWIG_fail’
13876 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___delitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13992:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13992 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:13992:64: note: in expansion of macro ‘SWIG_fail’
13992 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___getitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14021:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14021:64: note: in expansion of macro ‘SWIG_fail’
14021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___setitem____SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14048:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14048 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14048:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14048 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt___setitem__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14052:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14052 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14052:64: note: in expansion of macro ‘SWIG_fail’
14052 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14057:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14057 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14057:64: note: in expansion of macro ‘SWIG_fail’
14057 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_append(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14094:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14094 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14094:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14094 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14105:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14105 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14105:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14105 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14114:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14114 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14114:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14114 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_rbegin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14180:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14180 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14180:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14180 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_rend(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14192:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14192 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14192:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14192 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14223:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14223 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14223:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14223 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_erase(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14303:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14303 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_erase", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14303:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14303 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_erase", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14305:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14305 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14305:64: note: in expansion of macro ‘SWIG_fail’
14305 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14307:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14307 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14307:64: note: in expansion of macro ‘SWIG_fail’
14307 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14317:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14317 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14317:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14317 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_size_t(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14328:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14328 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14328:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14328 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vvpairUIntUInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14330:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14330 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vvpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14330:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14330 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vvpairUIntUInt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14332:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14332 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14332:64: note: in expansion of macro ‘SWIG_fail’
14332 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14336:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14336 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14336:64: note: in expansion of macro ‘SWIG_fail’
14336 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14338:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14338 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14338:64: note: in expansion of macro ‘SWIG_fail’
14338 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_push_back(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14362:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14362 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14362:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14362 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_front(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14367:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14367 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14367:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14367 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_back(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14380:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14380 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14380:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14380 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_assign(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14410:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14410 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14410:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14410 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_resize__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14432:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14432 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14432:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14432 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_resize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14434:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14434 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_resize", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14434:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14434 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_resize", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14436:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14436:64: note: in expansion of macro ‘SWIG_fail’
14436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14438:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14438 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14438:64: note: in expansion of macro ‘SWIG_fail’
14438 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_insert__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14473:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14473 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14473:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14473 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_insert__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14504:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14504 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14504:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14504 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vvpairUIntUInt_insert(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14506:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14506 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_insert", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14506:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14506 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vvpairUIntUInt_insert", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14508:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14508:64: note: in expansion of macro ‘SWIG_fail’
14508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14510:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14510:64: note: in expansion of macro ‘SWIG_fail’
14510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGlobalDataBase_SetReadDirectory(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14809:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14809 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14809:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14809 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGlobalDataBase_SetEnvironmentVariable(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14820:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14820 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14820:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14820 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGlobalDataBase_ParseLine(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14831:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14831 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14831:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14831 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAtomHOF(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14847:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14847 |   if (!SWIG_Python_UnpackTuple(args, "new_OBAtomHOF", 8, 8, swig_obj)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14847:83: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14847 |   if (!SWIG_Python_UnpackTuple(args, "new_OBAtomHOF", 8, 8, swig_obj)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                                                                   ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAtomHOF(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14874:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14874 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:14874:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14874 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_SetFromType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15029 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15029:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15029 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_SetToType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15041:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15041 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15041:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15041 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_Translate__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15056:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15056 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15056:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15056 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15057:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15057 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15057:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15057 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_Translate__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15076:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15076 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15076:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15076 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTypeTable_Translate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15092:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15092 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTypeTable_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15092:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15092 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTypeTable_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15094:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15094 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15094:64: note: in expansion of macro ‘SWIG_fail’
15094 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15096:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15096 |     if (!_v) goto check_2; { int res = SWIG_AsPtr_std_string(argv[2], (std::string**)(0)); _v = SWIG_CheckState(res);}
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15096:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15096 |     if (!_v) goto check_2; { int res = SWIG_AsPtr_std_string(argv[2], (std::string**)(0)); _v = SWIG_CheckState(res);}
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15097:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15097 |     if (!_v) goto check_2; return _wrap_OBTypeTable_Translate__SWIG_1(self, argc, argv);}  check_2: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15097:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15097 |     if (!_v) goto check_2; return _wrap_OBTypeTable_Translate__SWIG_1(self, argc, argv);}  check_2: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15099:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15099 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15099:64: note: in expansion of macro ‘SWIG_fail’
15099 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_SetResName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15157:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15157 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15157:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15157 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupBO__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15170:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15170 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15170:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15170 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupBO__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15189:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15189 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15189:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15189 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15190:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15190 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15190:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15190 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupBO(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15192:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15192 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidueData_LookupBO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15192:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15192 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidueData_LookupBO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15194:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15194 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15194:64: note: in expansion of macro ‘SWIG_fail’
15194 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15196:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15196 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15196:64: note: in expansion of macro ‘SWIG_fail’
15196 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidueData_LookupType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15223:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15223 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15223:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15223 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSqrtTbl(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15326:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15326 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSqrtTbl", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15326:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15326 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSqrtTbl", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15329:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15329 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15329:64: note: in expansion of macro ‘SWIG_fail’
15329 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBSqrtTbl(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15335:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15335 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15335:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15335 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vector3__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15426:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15426 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15426:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15426 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vector3__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15438:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15438 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15438:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15438 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_vector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15456:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15456 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vector3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15456:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15456 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_vector3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15463:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15463 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15463:64: note: in expansion of macro ‘SWIG_fail’
15463 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15466:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15466 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15466:64: note: in expansion of macro ‘SWIG_fail’
15466 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_vector3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15474:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15474 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15474:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15474 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_begin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15502:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15502 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_begin", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15502:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15502 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_begin", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15505:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15505 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15505:64: note: in expansion of macro ‘SWIG_fail’
15505 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_end(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15518:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15518 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_end", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15518:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15518 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_end", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15521:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15521 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15521:64: note: in expansion of macro ‘SWIG_fail’
15521 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_Set__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15527:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15527 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15527:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15527 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_Set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15550:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15550 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_Set", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15550:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15550 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_Set", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15553:64: note: in expansion of macro ‘SWIG_fail’
15553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3___iadd__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15669:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___iadd__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15669:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___iadd__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15671:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15671 |      if (!_v) goto check_1; return _wrap_vector3___iadd____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15671:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15671 |      if (!_v) goto check_1; return _wrap_vector3___iadd____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15673:64: note: in expansion of macro ‘SWIG_fail’
15673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3___isub__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15690:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15690 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___isub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15690:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15690 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___isub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15692:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15692 |      if (!_v) goto check_1; return _wrap_vector3___isub____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15692:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15692 |      if (!_v) goto check_1; return _wrap_vector3___isub____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15694:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15694 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15694:64: note: in expansion of macro ‘SWIG_fail’
15694 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3___imul__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15740:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15740 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___imul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15740:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15740 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3___imul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15744:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15744 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15744:64: note: in expansion of macro ‘SWIG_fail’
15744 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_randomUnitVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15750:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15750 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15750:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15750 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_x__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15786:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15786 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15786:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15786 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_y__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15793:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15793 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15793:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15793 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_z__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15800:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15800 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15800:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15800 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_x__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15807:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15807 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15807:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15807 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_x(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15813:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15813 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_x", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15813:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15813 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_x", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15816:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15816 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15816:64: note: in expansion of macro ‘SWIG_fail’
15816 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_y__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15821:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15821 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15821:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15821 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_y(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15827:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15827 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_y", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15827:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15827 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_y", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15830:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15830 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15830:64: note: in expansion of macro ‘SWIG_fail’
15830 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_z__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15835:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15835 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15835:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15835 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__vector3, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_vector3_z(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15841:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15841 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_z", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15841:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15841 |   if (!(argc = SWIG_Python_UnpackTuple(args, "vector3_z", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15844:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:15844:64: note: in expansion of macro ‘SWIG_fail’
15844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_Point2Plane(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16165:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16165 |   if (!SWIG_Python_UnpackTuple(args, "Point2Plane", 4, 4, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16165:81: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16165 |   if (!SWIG_Python_UnpackTuple(args, "Point2Plane", 4, 4, swig_obj)) SWIG_fail; {
      |                                                                                 ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_Point2PlaneAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16195:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16195 |   if (!SWIG_Python_UnpackTuple(args, "Point2PlaneAngle", 4, 4, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16195:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16195 |   if (!SWIG_Python_UnpackTuple(args, "Point2PlaneAngle", 4, 4, swig_obj)) SWIG_fail; {
      |                                                                                      ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_matrix3x3__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16262:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16262 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16262:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16262 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_matrix3x3__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16270:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16270 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16270:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16270 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_matrix3x3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16302:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16302 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_matrix3x3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16302:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16302 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_matrix3x3", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16309:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16309:64: note: in expansion of macro ‘SWIG_fail’
16309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_matrix3x3(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16316:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16316 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16316:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16316 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_matrix3x3___call__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16360:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16360 |   if (!(argc = SWIG_Python_UnpackTuple(args, "matrix3x3___call__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16360:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16360 |   if (!(argc = SWIG_Python_UnpackTuple(args, "matrix3x3___call__", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16362:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16362 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16362:64: note: in expansion of macro ‘SWIG_fail’
16362 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16364:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16364 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16364:64: note: in expansion of macro ‘SWIG_fail’
16364 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap___mul__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16633:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16633 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16633:82: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16633 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16635:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16635 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[1], NULL); _v = SWIG_CheckState(res); } }
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16635:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16635 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[1], NULL); _v = SWIG_CheckState(res); } }
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16636:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16636 |     if (!_v) goto check_1; return _wrap___mul____SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16636:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16636 |     if (!_v) goto check_1; return _wrap___mul____SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16640:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16640 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(self, argc, argv);}  check_2: if (argc == 2) { int _v = 0; {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16640:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16640 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(self, argc, argv);}  check_2: if (argc == 2) { int _v = 0; {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16646:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16646 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16646:64: note: in expansion of macro ‘SWIG_fail’
16646 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_transform3d__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16716:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16716 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16716:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16716 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_transform3d__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16755:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16755 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_a_3__double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16755:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16755 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_a_3__double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_transform3d(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16766:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16766 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_transform3d", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16766:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16766 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_transform3d", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16768:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16768 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16768:64: note: in expansion of macro ‘SWIG_fail’
16768 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16770:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16770:64: note: in expansion of macro ‘SWIG_fail’
16770 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16774:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16774 |      if (!_v) goto check_3; return _wrap_new_transform3d__SWIG_1(self, argc, argv);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16774:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16774 |      if (!_v) goto check_3; return _wrap_new_transform3d__SWIG_1(self, argc, argv);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16776:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16776 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16776:64: note: in expansion of macro ‘SWIG_fail’
16776 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16778:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16778 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16778:64: note: in expansion of macro ‘SWIG_fail’
16778 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_transform3d___mul__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16818:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16818 |   if (!(argc = SWIG_Python_UnpackTuple(args, "transform3d___mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16818:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16818 |   if (!(argc = SWIG_Python_UnpackTuple(args, "transform3d___mul__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16822:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16822 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16822:64: note: in expansion of macro ‘SWIG_fail’
16822 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_SetHMName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16889:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16889 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16889:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16889 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_SetHallName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16900:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16900 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16900:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16900 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_AddTransform(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16924:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16924 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:16924:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16924 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_GetSpaceGroup__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17013:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17013 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17013:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17013 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_GetSpaceGroup__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17016:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17016 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17016:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17016 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17023:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17023 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17023:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17023 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_SpaceGroup_GetSpaceGroup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17039:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17039 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17039:64: note: in expansion of macro ‘SWIG_fail’
17039 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBBitVec(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17135:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBBitVec", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17135:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBBitVec", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17141:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17141 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17141:64: note: in expansion of macro ‘SWIG_fail’
17141 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_FirstBit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17223:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17223 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec_FirstBit", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17223:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17223 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec_FirstBit", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17225:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17225 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17225:64: note: in expansion of macro ‘SWIG_fail’
17225 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17227:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17227 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17227:64: note: in expansion of macro ‘SWIG_fail’
17227 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_FromVecInt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17317:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17317 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17317:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17317 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_FromString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17332:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17332 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17332:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17332 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_Clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17348:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17348 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17348:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17348 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec_Negate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17355:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17355 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17355:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17355 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBitVec, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBitVec___ior__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17416:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17416 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec___ior__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17416:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17416 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBitVec___ior__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17420:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17420 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17420:64: note: in expansion of macro ‘SWIG_fail’
17420 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap___sub__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17538:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17538 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17538:82: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17538 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__sub__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17542:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17542 |      if (!_v) goto check_2; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17542:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17542 |      if (!_v) goto check_2; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17545:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17545 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17545:64: note: in expansion of macro ‘SWIG_fail’
17545 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBitVec(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17616:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17616 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17616:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17616 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGenericData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17654:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17654 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17654:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17654 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGenericData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17680:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17680 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17680:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17680 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGenericData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17693:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17693 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGenericData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17693:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17693 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGenericData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17695:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17695 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17695:64: note: in expansion of macro ‘SWIG_fail’
17695 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17697:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17697 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17697:64: note: in expansion of macro ‘SWIG_fail’
17697 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17699:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17699 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17699:64: note: in expansion of macro ‘SWIG_fail’
17699 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17701:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17701 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17701:64: note: in expansion of macro ‘SWIG_fail’
17701 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGenericData_SetAttribute(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17742:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17742 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17742:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17742 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBase(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17799:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17799 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17799:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17799 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17853:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17853 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17853:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17853 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17855:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17855 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17855:64: note: in expansion of macro ‘SWIG_fail’
17855 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17857:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17857 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17857:64: note: in expansion of macro ‘SWIG_fail’
17857 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_SetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17871:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17871 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17871:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17871 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_HasData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17884:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17884 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17884:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17884 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_HasData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17888:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17888 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17888:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17888 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17896:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17896 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17896:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17896 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_HasData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17908:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17908 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_HasData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; { {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17908:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17908 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_HasData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; { {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17914:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17914 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17914:64: note: in expansion of macro ‘SWIG_fail’
17914 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_DeleteData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17965:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17965 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17965:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17965 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_DeleteData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17967:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17967 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_DeleteData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17967:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17967 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_DeleteData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17974:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17974 |     if (!_v) goto check_3; return _wrap_OBBase_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17974:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17974 |     if (!_v) goto check_3; return _wrap_OBBase_DeleteData__SWIG_0(self, argc, argv);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17976:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:17976:64: note: in expansion of macro ‘SWIG_fail’
17976 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18003:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18003 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18003:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18003 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18015:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18015 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18015:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18015 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18025:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18025 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18025:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18025 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18029 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18029:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18029 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18037:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18037 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18037:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18037 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18054 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18054:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18054 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18065:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18065 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18065:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18065 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBase, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBase_GetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18074:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18074 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18074:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18074 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBase_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18076:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18076 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18076:64: note: in expansion of macro ‘SWIG_fail’
18076 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18084:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18084 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18084:64: note: in expansion of macro ‘SWIG_fail’
18084 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBCommentData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18138:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18138 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBCommentData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18138:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18138 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBCommentData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18140:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18140 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18140:64: note: in expansion of macro ‘SWIG_fail’
18140 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18142:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18142 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18142:64: note: in expansion of macro ‘SWIG_fail’
18142 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCommentData_SetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18157:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18157 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18157:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18157 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCommentData_SetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18168:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18168 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18168:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18168 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCommentData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18170:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18170 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBCommentData_SetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18170:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18170 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBCommentData_SetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18172:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18172 |     if (!_v) goto check_1; return _wrap_OBCommentData_SetData__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18172:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18172 |     if (!_v) goto check_1; return _wrap_OBCommentData_SetData__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18174:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18174 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18174:64: note: in expansion of macro ‘SWIG_fail’
18174 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBExternalBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18214:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18214 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18214:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18214 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBExternalBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18237:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBExternalBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18237:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBExternalBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18239:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18239:64: note: in expansion of macro ‘SWIG_fail’
18239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18241:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18241:64: note: in expansion of macro ‘SWIG_fail’
18241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18243:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18243 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18243:64: note: in expansion of macro ‘SWIG_fail’
18243 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPairData_SetValue__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18393:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18393 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18393:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18393 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPairData_SetValue__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18405:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18405 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18405:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18405 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPairData_SetValue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18407:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18407 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPairData_SetValue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18407:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18407 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPairData_SetValue", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18409:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18409 |     if (!_v) goto check_1; return _wrap_OBPairData_SetValue__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18409:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18409 |     if (!_v) goto check_1; return _wrap_OBPairData_SetValue__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18411:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18411 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18411:64: note: in expansion of macro ‘SWIG_fail’
18411 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18476:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18476 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18476:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18476 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18490:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18490 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18490:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18490 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18502:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18502 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSetData_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18502:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18502 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSetData_GetData", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18504:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18504 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18504:64: note: in expansion of macro ‘SWIG_fail’
18504 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18508:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18508:64: note: in expansion of macro ‘SWIG_fail’
18508 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetBegin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18515:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18515 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18515:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18515 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSetData_GetEnd(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18524:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18524 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18524:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18524 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBSetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18543:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18543 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18543:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18543 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBVirtualBond__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18583:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18583 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18583:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18583 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBVirtualBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18593:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18593 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBVirtualBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18593:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18593 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBVirtualBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18595:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18595 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18595:64: note: in expansion of macro ‘SWIG_fail’
18595 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18597:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18597 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18597:64: note: in expansion of macro ‘SWIG_fail’
18597 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18599:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18599 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18599:64: note: in expansion of macro ‘SWIG_fail’
18599 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRingData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18668:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18668 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRingData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18668:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18668 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRingData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18670:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18670 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18670:64: note: in expansion of macro ‘SWIG_fail’
18670 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18672:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18672 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18672:64: note: in expansion of macro ‘SWIG_fail’
18672 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBUnitCell(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18799:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18799 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBUnitCell", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18799:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18799 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBUnitCell", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18801:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18801 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18801:64: note: in expansion of macro ‘SWIG_fail’
18801 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18803:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18803 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18803:64: note: in expansion of macro ‘SWIG_fail’
18803 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18877:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18877 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_SetData", 0, 7, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18877:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18877 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_SetData", 0, 7, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18879:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18879:64: note: in expansion of macro ‘SWIG_fail’
18879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18881:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18881 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18881:64: note: in expansion of macro ‘SWIG_fail’
18881 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18883:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18883 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18883:64: note: in expansion of macro ‘SWIG_fail’
18883 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_SetSpaceGroup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18939:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18939 |     if (!_v) goto check_2; return _wrap_OBUnitCell_SetSpaceGroup__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18939:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18939 |     if (!_v) goto check_2; return _wrap_OBUnitCell_SetSpaceGroup__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18941:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18941 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18941:64: note: in expansion of macro ‘SWIG_fail’
18941 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetA(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18983:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18983 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetA", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18983:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18983 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetA", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18985:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18985 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18985:64: note: in expansion of macro ‘SWIG_fail’
18985 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18987:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18987 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:18987:64: note: in expansion of macro ‘SWIG_fail’
18987 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetB(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19006:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19006 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetB", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19006:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19006 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetB", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19008:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19008 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19008:64: note: in expansion of macro ‘SWIG_fail’
19008 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19010:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19010 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19010:64: note: in expansion of macro ‘SWIG_fail’
19010 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetC(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19029 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetC", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19029:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19029 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetC", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19031:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19031 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19031:64: note: in expansion of macro ‘SWIG_fail’
19031 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19033:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19033 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19033:64: note: in expansion of macro ‘SWIG_fail’
19033 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetAlpha(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19053:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19053 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetAlpha", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19053:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19053 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetAlpha", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19055:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19055 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19055:64: note: in expansion of macro ‘SWIG_fail’
19055 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19057:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19057 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19057:64: note: in expansion of macro ‘SWIG_fail’
19057 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetBeta(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19076:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19076 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetBeta", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19076:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19076 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetBeta", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19078:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19078 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19078:64: note: in expansion of macro ‘SWIG_fail’
19078 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19080:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19080:64: note: in expansion of macro ‘SWIG_fail’
19080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetGamma(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19100:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19100 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetGamma", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19100:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19100 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetGamma", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19102:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19102 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19102:64: note: in expansion of macro ‘SWIG_fail’
19102 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19104:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19104 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19104:64: note: in expansion of macro ‘SWIG_fail’
19104 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetOffset(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19125:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19125 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOffset", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19125:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19125 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOffset", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19127:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19127 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19127:64: note: in expansion of macro ‘SWIG_fail’
19127 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19129:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19129 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19129:64: note: in expansion of macro ‘SWIG_fail’
19129 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetSpaceGroup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19153:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19153 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19153:64: note: in expansion of macro ‘SWIG_fail’
19153 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19155:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19155:64: note: in expansion of macro ‘SWIG_fail’
19155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetSpaceGroupName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19177:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19177 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19177:64: note: in expansion of macro ‘SWIG_fail’
19177 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19179:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19179 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19179:64: note: in expansion of macro ‘SWIG_fail’
19179 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetLatticeType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19225:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19225 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19225:64: note: in expansion of macro ‘SWIG_fail’
19225 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19227:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19227 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19227:64: note: in expansion of macro ‘SWIG_fail’
19227 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19229:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19229 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19229:64: note: in expansion of macro ‘SWIG_fail’
19229 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19231:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19231 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19231:64: note: in expansion of macro ‘SWIG_fail’
19231 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetCellVectors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19257:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19257 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19257:64: note: in expansion of macro ‘SWIG_fail’
19257 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19259:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19259 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19259:64: note: in expansion of macro ‘SWIG_fail’
19259 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetCellMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19282:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19282 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19282:64: note: in expansion of macro ‘SWIG_fail’
19282 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19284:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19284:64: note: in expansion of macro ‘SWIG_fail’
19284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetOrthoMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19307:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19307 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19307:64: note: in expansion of macro ‘SWIG_fail’
19307 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19309:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19309:64: note: in expansion of macro ‘SWIG_fail’
19309 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetOrientationMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19332:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19332 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOrientationMatrix", 0, 1, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19332:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19332 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetOrientationMatrix", 0, 1, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19334:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19334 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19334:64: note: in expansion of macro ‘SWIG_fail’
19334 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19336:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19336 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19336:64: note: in expansion of macro ‘SWIG_fail’
19336 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetFractionalMatrix(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19359:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19359 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetFractionalMatrix", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19359:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19359 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetFractionalMatrix", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19361:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19361 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19361:64: note: in expansion of macro ‘SWIG_fail’
19361 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19363:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19363 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19363:64: note: in expansion of macro ‘SWIG_fail’
19363 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_FractionalToCartesian(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19400:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19400 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_FractionalToCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19400:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19400 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_FractionalToCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19402:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19402 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19402:64: note: in expansion of macro ‘SWIG_fail’
19402 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19404:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19404 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19404:64: note: in expansion of macro ‘SWIG_fail’
19404 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_CartesianToFractional(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19441:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19441 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_CartesianToFractional", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19441:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19441 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_CartesianToFractional", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19443:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19443 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19443:64: note: in expansion of macro ‘SWIG_fail’
19443 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19445:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19445 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19445:64: note: in expansion of macro ‘SWIG_fail’
19445 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_WrapCartesianCoordinate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19482:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19482 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapCartesianCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19482:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19482 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapCartesianCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19484:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19484 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19484:64: note: in expansion of macro ‘SWIG_fail’
19484 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19486:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19486 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19486:64: note: in expansion of macro ‘SWIG_fail’
19486 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_WrapFractionalCoordinate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19523:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19523 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapFractionalCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19523:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19523 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_WrapFractionalCoordinate", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19525:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19525:64: note: in expansion of macro ‘SWIG_fail’
19525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19527:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19527 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19527:64: note: in expansion of macro ‘SWIG_fail’
19527 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_UnwrapCartesianNear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19576:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19576 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapCartesianNear", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19576:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19576 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapCartesianNear", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19578:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19578:64: note: in expansion of macro ‘SWIG_fail’
19578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19580:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19580 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19580:64: note: in expansion of macro ‘SWIG_fail’
19580 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_UnwrapFractionalNear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19630:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19630 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapFractionalNear", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19630:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19630 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_UnwrapFractionalNear", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19632:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19632 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19632:64: note: in expansion of macro ‘SWIG_fail’
19632 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19634:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19634 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19634:64: note: in expansion of macro ‘SWIG_fail’
19634 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_MinimumImageCartesian(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19672:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19672 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19672:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19672 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageCartesian", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19674:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19674:64: note: in expansion of macro ‘SWIG_fail’
19674 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19676:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19676 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19676:64: note: in expansion of macro ‘SWIG_fail’
19676 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_MinimumImageFractional(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19713:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19713 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageFractional", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19713:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19713 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_MinimumImageFractional", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19715:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19715 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19715:64: note: in expansion of macro ‘SWIG_fail’
19715 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19717:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19717 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19717:64: note: in expansion of macro ‘SWIG_fail’
19717 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetSpaceGroupNumber(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19759:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19759 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetSpaceGroupNumber", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19759:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19759 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBUnitCell_GetSpaceGroupNumber", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19761:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19761:64: note: in expansion of macro ‘SWIG_fail’
19761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19763:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19763:64: note: in expansion of macro ‘SWIG_fail’
19763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19765:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19765 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19765:64: note: in expansion of macro ‘SWIG_fail’
19765 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19767:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19767:64: note: in expansion of macro ‘SWIG_fail’
19767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBUnitCell_GetCellVolume(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19790:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19790 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19790:64: note: in expansion of macro ‘SWIG_fail’
19790 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19792:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19792 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19792:64: note: in expansion of macro ‘SWIG_fail’
19792 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConformerData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19824:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19824 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConformerData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19824:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19824 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConformerData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19826:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19826 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19826:64: note: in expansion of macro ‘SWIG_fail’
19826 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19828:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19828 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:19828:64: note: in expansion of macro ‘SWIG_fail’
19828 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSymmetryData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20000:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20000 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSymmetryData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20000:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20000 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSymmetryData", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20002:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20002 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20002:64: note: in expansion of macro ‘SWIG_fail’
20002 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20004:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20004 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20004:64: note: in expansion of macro ‘SWIG_fail’
20004 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSymmetryData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20040:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSymmetryData_SetData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20040:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSymmetryData_SetData", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20042:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20042:64: note: in expansion of macro ‘SWIG_fail’
20042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20044:64: note: in expansion of macro ‘SWIG_fail’
20044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20107:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20107 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBTorsion", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20107:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20107 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBTorsion", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20114:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20114 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20114:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20114 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_Clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20122:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20122 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20122:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20122 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_AddTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20174:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20174 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_AddTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20174:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20174 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_AddTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20176:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20176 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20176:64: note: in expansion of macro ‘SWIG_fail’
20176 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20178:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20178 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20178:64: note: in expansion of macro ‘SWIG_fail’
20178 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_SetAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20208:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20208 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_SetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20208:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20208 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_SetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20210:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20210 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20210:64: note: in expansion of macro ‘SWIG_fail’
20210 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20212:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20212 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20212:64: note: in expansion of macro ‘SWIG_fail’
20212 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsion_GetAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20256:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20256 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20256:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20256 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTorsion_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20258:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20258 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20258:64: note: in expansion of macro ‘SWIG_fail’
20258 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20260:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20260 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20260:64: note: in expansion of macro ‘SWIG_fail’
20260 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTorsionData_GetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20324:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20324 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20324:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20324 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20394:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20394 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAngle", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20394:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20394 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAngle", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20401:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20401 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20401:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20401 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAngle_Clear(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20424:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20424 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAngle, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20424:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20424 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAngle, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAngle_SetAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20479:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20479 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAngle_SetAtoms", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20479:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20479 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAngle_SetAtoms", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20481:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20481 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20481:64: note: in expansion of macro ‘SWIG_fail’
20481 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20483:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20483:64: note: in expansion of macro ‘SWIG_fail’
20483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAngleData_FillAngleArray(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20543:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20543 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20543:64: note: in expansion of macro ‘SWIG_fail’
20543 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20545:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20545 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20545:64: note: in expansion of macro ‘SWIG_fail’
20545 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSerialNums(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20602:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20602 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSerialNums", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20602:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20602 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSerialNums", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20604:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20604 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20604:64: note: in expansion of macro ‘SWIG_fail’
20604 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20606:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20606 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20606:64: note: in expansion of macro ‘SWIG_fail’
20606 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVibrationData_SetData__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20696:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20696 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20696:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20696 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20697:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20697 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20697:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20697 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVibrationData_SetData__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20731:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20731 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20731:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20731 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20732:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20732 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20732:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20732 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20733:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20733 |   if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20733:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20733 |   if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVibrationData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20735:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20735 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVibrationData_SetData", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20735:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20735 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVibrationData_SetData", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20737:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20737 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20737:64: note: in expansion of macro ‘SWIG_fail’
20737 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20739:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20739 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20739:64: note: in expansion of macro ‘SWIG_fail’
20739 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBDOSData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20807:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20807 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20807:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20807 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDOSData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20843:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20843 |   if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20843:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20843 |   if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20844:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20844 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20844:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20844 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbital_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbital_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20927:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbital_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20929:64: note: in expansion of macro ‘SWIG_fail’
20929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20931:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20931:64: note: in expansion of macro ‘SWIG_fail’
20931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20933:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20933 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20933:64: note: in expansion of macro ‘SWIG_fail’
20933 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBOrbital(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20966:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20966 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:20966:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20966 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbitalData_SetHOMO(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21054 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbitalData_SetHOMO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21054:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21054 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOrbitalData_SetHOMO", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21056:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21056 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21056:64: note: in expansion of macro ‘SWIG_fail’
21056 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21058:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21058 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21058:64: note: in expansion of macro ‘SWIG_fail’
21058 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbitalData_GetAlphaOrbitals(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21097:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21097 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21097:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21097 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOrbitalData_GetBetaOrbitals(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21106:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21106 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21106:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21106 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_SetEDipole(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21234:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21234 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21234:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21234 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_SetRotatoryStrengthsVelocity(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21250:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21250 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21250:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21250 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_SetRotatoryStrengthsLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21266:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21266 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21266:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21266 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_GetRotatoryStrengthsVelocity(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21300:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21300 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21300:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21300 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBElectronicTransitionData_GetRotatoryStrengthsLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21310:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21310 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21310:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21310 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBVectorData_SetData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21438:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21438 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVectorData_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21438:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21438 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBVectorData_SetData", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21440:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21440 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21440:64: note: in expansion of macro ‘SWIG_fail’
21440 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21442:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21442 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21442:64: note: in expansion of macro ‘SWIG_fail’
21442 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBFreeGridPoint(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21533:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21533 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBFreeGridPoint", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21533:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21533 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBFreeGridPoint", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21535:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21535 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21535:64: note: in expansion of macro ‘SWIG_fail’
21535 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21537:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21537 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21537:64: note: in expansion of macro ‘SWIG_fail’
21537 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBPcharge(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21741:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21741 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21741:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21741 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetAxes(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21951:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21951 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetAxes", 0, 4, argv))) SWIG_fail; --argc; if (argc == 4) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21951:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21951 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetAxes", 0, 4, argv))) SWIG_fail; --argc; if (argc == 4) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21953:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21953 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_double, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21953:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21953 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_double, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21958:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21958 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21958:64: note: in expansion of macro ‘SWIG_fail’
21958 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetNumberOfPoints(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21996:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21996:64: note: in expansion of macro ‘SWIG_fail’
21996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21998:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21998 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:21998:64: note: in expansion of macro ‘SWIG_fail’
21998 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetValue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22052:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22052 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetValue", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22052:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22052 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_GetValue", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22054:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22054 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22054:64: note: in expansion of macro ‘SWIG_fail’
22054 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22056:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22056 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22056:64: note: in expansion of macro ‘SWIG_fail’
22056 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_GetOriginVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22105:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22105:64: note: in expansion of macro ‘SWIG_fail’
22105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22107:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22107:64: note: in expansion of macro ‘SWIG_fail’
22107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_SetLimits(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22203:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22203 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_SetLimits", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22203:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22203 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBGridData_SetLimits", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22207:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22207 |      if (!_v) goto check_1; { int res = SWIG_ConvertPtr(argv[3], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22207:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22207 |      if (!_v) goto check_1; { int res = SWIG_ConvertPtr(argv[3], 0, SWIGTYPE_p_OpenBabel__vector3, SWIG_POINTER_NO_NULL | 0);
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22210:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22210 |      if (!_v) goto check_1; return _wrap_OBGridData_SetLimits__SWIG_0(self, argc, argv);}  check_1: if (argc == 5) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22210:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22210 |      if (!_v) goto check_1; return _wrap_OBGridData_SetLimits__SWIG_0(self, argc, argv);}  check_1: if (argc == 5) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22212:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22212 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22212:64: note: in expansion of macro ‘SWIG_fail’
22212 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBGridData_SetValues(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22249:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22249 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22249:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22249 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChainsParser_PerceiveChains(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22338:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22338 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBChainsParser_PerceiveChains", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22338:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22338 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBChainsParser_PerceiveChains", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22340:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22340 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22340:64: note: in expansion of macro ‘SWIG_fail’
22340 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22342:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22342 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22342:64: note: in expansion of macro ‘SWIG_fail’
22342 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAtomTyper(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22384:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22384 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAtomTyper", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22384:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22384 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAtomTyper", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22386:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22386:64: note: in expansion of macro ‘SWIG_fail’
22386 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22388:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22388 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22388:64: note: in expansion of macro ‘SWIG_fail’
22388 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_dummy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22531:8: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22531 |   std::binary_function< char const *,char const *,bool > *result = 0 ; (void)self;
      |        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22533:18: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22533 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                  ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22533:79: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22533 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                                                                               ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_dummy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22537:8: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22537 |   std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22537:72: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22537 |   std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |                                                                        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22542:34: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
22542 |    arg1 = reinterpret_cast< std::binary_function< char const *,char const *,bool > * >(argp1); delete arg1;
      |                                  ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CharPtrLess___call__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22571:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22571 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22571:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22571 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22572:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22572 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22572:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22572 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBPlugin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22599:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22599 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22599:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22599 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Display__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22638:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22638 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22638:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22638 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22639:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22639 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22639:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22639 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Display__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22656:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22656 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22656:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22656 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Display(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22658:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22658 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22658:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22658 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22660:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22660:64: note: in expansion of macro ‘SWIG_fail’
22660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22662:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22662 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22662:64: note: in expansion of macro ‘SWIG_fail’
22662 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_MakeInstance(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22681:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22681 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22681:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22681 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Init(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22684:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22684 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBPlugin, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22684:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22684 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBPlugin, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_GetPlugin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22701 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22701:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22701 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22702:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22702 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22702:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22702 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_ListAsVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22728:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22728 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22728:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22728 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22729:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22729 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22729:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22729 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_List__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22758:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22758 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22758:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22758 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22762:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22762 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22762:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22762 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_List(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22764:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22764 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_List", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22764:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22764 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_List", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22767:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22767:64: note: in expansion of macro ‘SWIG_fail’
22767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_ListAsString__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22783:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22783 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22783:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22783 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22784:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22784 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22784:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22784 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_ListAsString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22794:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_ListAsString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22794:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22794 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPlugin_ListAsString", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22796:64: note: in expansion of macro ‘SWIG_fail’
22796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22798:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22798:64: note: in expansion of macro ‘SWIG_fail’
22798 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_FirstLine(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22804:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22804 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22804:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22804 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_Begin(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22818:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22818 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22818:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22818 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_End(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22827:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22827 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22827:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22827 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPlugin_LoadAllPlugins(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22838:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22838 |   if (!SWIG_Python_UnpackTuple(args, "OBPlugin_LoadAllPlugins", 0, 0, 0)) SWIG_fail; OpenBabel::OBPlugin::LoadAllPlugins();
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22838:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22838 |   if (!SWIG_Python_UnpackTuple(args, "OBPlugin_LoadAllPlugins", 0, 0, 0)) SWIG_fail; OpenBabel::OBPlugin::LoadAllPlugins();
      |                                                                                      ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_stringbuf(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22854:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22854 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22854:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22854 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22874:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22874 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22874:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22874 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22904:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22904 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22904:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22904 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22905:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22905 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22905:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22905 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22906:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22906 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22906:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22906 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22907:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22907 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22907:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22907 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22939:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22939 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22939:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22939 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22940:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22940 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22940:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22940 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22941:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22941 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22941:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22941 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22942:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22942 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22942:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22942 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22946:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22946 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22946:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22946 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22969:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22969 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22969:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22969 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22970:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22970 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22970:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22970 |   if (SWIG_IsNewObj(res4)) delete arg4; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22971:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22971 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22971:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22971 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22993:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22993 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22993:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22993 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22995:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22995 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:22995:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22995 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23011 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23011:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23011 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23012:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23012 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23012:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23012 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError__SWIG_5(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23015:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23015 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23015:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23015 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23022:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23022 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23022:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23022 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23029:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23029 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBError", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23029:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23029 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBError", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23032:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23032 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23032:64: note: in expansion of macro ‘SWIG_fail’
23032 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23035:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23035 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23035:64: note: in expansion of macro ‘SWIG_fail’
23035 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23038:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23038 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23038:64: note: in expansion of macro ‘SWIG_fail’
23038 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap___lshift__(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23074:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23074 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__lshift__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23074:85: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23074 |   if (!(argc = SWIG_Python_UnpackTuple(args, "__lshift__", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23076:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23076 |      if (!_v) goto check_1; return _wrap___lshift____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23076:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23076 |      if (!_v) goto check_1; return _wrap___lshift____SWIG_0(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23083:64: note: in expansion of macro ‘SWIG_fail’
23083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail: SWIG_Py_INCREF(Py_NotImplemented);
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23146 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23146:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23146 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23229:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23229 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23229:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23229 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23230:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23230 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23230:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23230 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23251:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23251 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23251:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23251 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23252:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23252 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23252:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23252 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23270:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23270 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23270:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23270 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23271:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23271 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23271:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23271 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMessageHandler_ThrowError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23275:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23275:64: note: in expansion of macro ‘SWIG_fail’
23275 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23277:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23277 |      if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23277:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23277 |      if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23280:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23280 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23280:64: note: in expansion of macro ‘SWIG_fail’
23280 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23282:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23282 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23282:64: note: in expansion of macro ‘SWIG_fail’
23282 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23284:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23284:64: note: in expansion of macro ‘SWIG_fail’
23284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_obLogBuf(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23461:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23461 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23461:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23461 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23494:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23494 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23494:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23494 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_RegisterFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23620:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23620 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23620:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23620 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23621:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23621 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23621:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23621 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_RegisterFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23632:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23632 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23632:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23632 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_RegisterFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23634:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23634 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_RegisterFormat", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23634:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23634 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_RegisterFormat", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23636:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23636:64: note: in expansion of macro ‘SWIG_fail’
23636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23638:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23638 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23638:64: note: in expansion of macro ‘SWIG_fail’
23638 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_Display__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23662:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23662 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23662:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23662 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23663:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23663 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23663:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23663 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_Display__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23680:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23680 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23680:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23680 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_Display(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23682 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23682:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23682 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFormat_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23684:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23684 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23684:64: note: in expansion of macro ‘SWIG_fail’
23684 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23686:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23686 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23686:64: note: in expansion of macro ‘SWIG_fail’
23686 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFormat_FormatFromMIME(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23698:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23698 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23698:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23698 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23701 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23701:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23701 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23716:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23716 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__istream, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23716:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23716 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_std__istream, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23740:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23740 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23740:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23740 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23752:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23752 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23752:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23752 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBConversion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23771:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23771 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConversion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23771:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23771 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBConversion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23773:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23773 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23773:64: note: in expansion of macro ‘SWIG_fail’
23773 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23779:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23779 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23779:64: note: in expansion of macro ‘SWIG_fail’
23779 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23782:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23782 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(self, argc, argv);}  check_5: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23782:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23782 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(self, argc, argv);}  check_5: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23784:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23784 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23784:64: note: in expansion of macro ‘SWIG_fail’
23784 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23814:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23814 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23814:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23814 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23815:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23815 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23815:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23815 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23819:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23819 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23819:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23819 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23828:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23828 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23828:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23828 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23832:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23832 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23832:64: note: in expansion of macro ‘SWIG_fail’
23832 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23834:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23834 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23834:64: note: in expansion of macro ‘SWIG_fail’
23834 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FindFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23847:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23847 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23847:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23847 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FindFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23850:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23850 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23850:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23850 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FindFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23858:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23858 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_FindFormat", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23858:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23858 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_FindFormat", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23860:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23860 |     if (!_v) goto check_1; return _wrap_OBConversion_FindFormat__SWIG_1(self, argc, argv);}  check_1: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23860:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23860 |     if (!_v) goto check_1; return _wrap_OBConversion_FindFormat__SWIG_1(self, argc, argv);}  check_1: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23862:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23862 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23862:64: note: in expansion of macro ‘SWIG_fail’
23862 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23874:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23874 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23874:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23874 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23888:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23888 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23888:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23888 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23891:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23891 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23891:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23891 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromExt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23915:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23915 |     if (!_v) goto check_1; return _wrap_OBConversion_FormatFromExt__SWIG_2(self, argc, argv);}  check_1: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23915:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23915 |     if (!_v) goto check_1; return _wrap_OBConversion_FormatFromExt__SWIG_2(self, argc, argv);}  check_1: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23917:64: note: in expansion of macro ‘SWIG_fail’
23917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23920:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23920 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23920:64: note: in expansion of macro ‘SWIG_fail’
23920 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23922:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23922 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23922:64: note: in expansion of macro ‘SWIG_fail’
23922 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_FormatFromMIME(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23936:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23936 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23936:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23936 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInStream(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23986:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23986 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23986:64: note: in expansion of macro ‘SWIG_fail’
23986 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23988:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23988 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:23988:64: note: in expansion of macro ‘SWIG_fail’
23988 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutStream(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24019:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24019:64: note: in expansion of macro ‘SWIG_fail’
24019 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24021:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24021:64: note: in expansion of macro ‘SWIG_fail’
24021 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24045:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24045 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24045:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24045 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24046:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24046 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24046:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24046 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24064:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24064 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24064:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24064 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24065:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24065 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24065:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24065 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24080:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24080 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24080:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24080 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24081:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24081 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24081:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24081 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInAndOutFormats(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24137:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24137 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetInAndOutFormats", 0, 5, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24137:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24137 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetInAndOutFormats", 0, 5, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24141:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24141 |     if (!_v) goto check_1; return _wrap_OBConversion_SetInAndOutFormats__SWIG_5(self, argc, argv);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24141:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24141 |     if (!_v) goto check_1; return _wrap_OBConversion_SetInAndOutFormats__SWIG_5(self, argc, argv);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24143:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24143 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24143:64: note: in expansion of macro ‘SWIG_fail’
24143 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24145:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24145 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24145:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24145 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24148:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24148 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24148:64: note: in expansion of macro ‘SWIG_fail’
24148 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24150:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24150:64: note: in expansion of macro ‘SWIG_fail’
24150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24152:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24152 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24152:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24152 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24155:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_5: if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24155:64: note: in expansion of macro ‘SWIG_fail’
24155 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_5: if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24157:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24157 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24157:64: note: in expansion of macro ‘SWIG_fail’
24157 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24178:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24178 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24178:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24178 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24190:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24190 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24190:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24190 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetInFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24221:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24221:64: note: in expansion of macro ‘SWIG_fail’
24221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24223:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24223 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetInFormat__SWIG_2(self, argc, argv);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24223:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24223 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetInFormat__SWIG_2(self, argc, argv);
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24224:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24224 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24224:64: note: in expansion of macro ‘SWIG_fail’
24224 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24226:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24226 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24226:64: note: in expansion of macro ‘SWIG_fail’
24226 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutFormat__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24245:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24245 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24245:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24245 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutFormat__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24257:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24257 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24257:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24257 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOutFormat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24288:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24288 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24288:64: note: in expansion of macro ‘SWIG_fail’
24288 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24290:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24290 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetOutFormat__SWIG_2(self, argc, argv);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24290:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24290 |     if (!_v) goto check_3; PyObject *retobj = _wrap_OBConversion_SetOutFormat__SWIG_2(self, argc, argv);
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24291:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24291 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24291:64: note: in expansion of macro ‘SWIG_fail’
24291 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24293:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24293:64: note: in expansion of macro ‘SWIG_fail’
24293 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_IsOption__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24406:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24406 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24406:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24406 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_IsOption__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24418:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24418 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24418:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24418 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_IsOption(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24420:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24420 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_IsOption", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24420:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24420 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_IsOption", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24422:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24422 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24422:64: note: in expansion of macro ‘SWIG_fail’
24422 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24424:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24424 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24424:64: note: in expansion of macro ‘SWIG_fail’
24424 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_AddOption__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24474:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24474 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24474:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24474 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_AddOption__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24485:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24485 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24485:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24485 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_AddOption(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24487:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24487 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_AddOption", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24487:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24487 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_AddOption", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24489:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24489:64: note: in expansion of macro ‘SWIG_fail’
24489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24491:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24491 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24491:64: note: in expansion of macro ‘SWIG_fail’
24491 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24493:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24493 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24493:64: note: in expansion of macro ‘SWIG_fail’
24493 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RemoveOption(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24513:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24513 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24513:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24513 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOptions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24528:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24528 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24528:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24528 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_RegisterOptionParam(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24572:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24572 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_RegisterOptionParam", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24572:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24572 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_RegisterOptionParam", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24574:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24574 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24574:64: note: in expansion of macro ‘SWIG_fail’
24574 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24576:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24576 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24576:64: note: in expansion of macro ‘SWIG_fail’
24576 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24578:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24578:64: note: in expansion of macro ‘SWIG_fail’
24578 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_CopyOptions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24623:64: note: in expansion of macro ‘SWIG_fail’
24623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24625:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24625 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24625:64: note: in expansion of macro ‘SWIG_fail’
24625 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_Convert(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24669:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Convert", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24669:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Convert", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24671:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24671 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24671:64: note: in expansion of macro ‘SWIG_fail’
24671 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24673:64: note: in expansion of macro ‘SWIG_fail’
24673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetFirstInput(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24756:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24756 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24756:64: note: in expansion of macro ‘SWIG_fail’
24756 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24758:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24758 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24758:64: note: in expansion of macro ‘SWIG_fail’
24758 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_SetOneObjectOnly(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24807:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24807 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetOneObjectOnly", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24807:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24807 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_SetOneObjectOnly", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24809:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24809 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24809:64: note: in expansion of macro ‘SWIG_fail’
24809 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24811:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24811 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24811:64: note: in expansion of macro ‘SWIG_fail’
24811 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_Write(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24873:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24873 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Write", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24873:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24873 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Write", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24875:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24875 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24875:64: note: in expansion of macro ‘SWIG_fail’
24875 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24877:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24877 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24877:64: note: in expansion of macro ‘SWIG_fail’
24877 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_WriteString(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24909:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24909 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24909:64: note: in expansion of macro ‘SWIG_fail’
24909 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24911:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24911 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24911:64: note: in expansion of macro ‘SWIG_fail’
24911 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_Read(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24963:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24963 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Read", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24963:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24963 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_Read", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24965:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24965 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24965:64: note: in expansion of macro ‘SWIG_fail’
24965 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:24967:64: note: in expansion of macro ‘SWIG_fail’
24967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConversion_ReportNumberConverted(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25040:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_ReportNumberConverted", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25040:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConversion_ReportNumberConverted", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25042:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25042:64: note: in expansion of macro ‘SWIG_fail’
25042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25044:64: note: in expansion of macro ‘SWIG_fail’
25044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtomAssignTypicalImplicitHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25091:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25091 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25091:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25091 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_GetExactMass__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25125:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25125 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25125:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25125 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_GetExactMass(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25130:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25130 |   if (!(argc = SWIG_Python_UnpackTuple(args, "GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25130:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25130 |   if (!(argc = SWIG_Python_UnpackTuple(args, "GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25133:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25133 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25133:64: note: in expansion of macro ‘SWIG_fail’
25133 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_GetAllredRochowElectroNeg(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25146 |   if (!args) SWIG_fail; swig_obj[0] = args; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25146:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25146 |   if (!args) SWIG_fail; swig_obj[0] = args; ecode1 = SWIG_AsVal_unsigned_SS_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25972:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25972 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBResidue", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25972:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25972 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBResidue", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25975:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25975:64: note: in expansion of macro ‘SWIG_fail’
25975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25981:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25981 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:25981:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25981 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_SetName(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26032:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26032 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26032:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26032 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_SetNum(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26054 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_SetNum", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26054:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26054 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_SetNum", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26058:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26058 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26058:64: note: in expansion of macro ‘SWIG_fail’
26058 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_SetAtomID(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26120:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26120 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26120:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26120 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_GetBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26232:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26232 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_GetBonds", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26232:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26232 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBResidue_GetBonds", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26234:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26234 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26234:64: note: in expansion of macro ‘SWIG_fail’
26234 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26236:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26236 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26236:64: note: in expansion of macro ‘SWIG_fail’
26236 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_BeginAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26331:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26331 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26331:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26331 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBResidue_EndAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26340:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26340 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26340:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26340 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBInternalCoord__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26532:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26532 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26532:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26532 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBInternalCoord(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26615:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26615 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBInternalCoord", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26615:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26615 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBInternalCoord", 0, 6, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26617:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26617 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26617:64: note: in expansion of macro ‘SWIG_fail’
26617 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26619 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26619:64: note: in expansion of macro ‘SWIG_fail’
26619 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26621:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26621 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26621:64: note: in expansion of macro ‘SWIG_fail’
26621 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26623:64: note: in expansion of macro ‘SWIG_fail’
26623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26625:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26625 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26625:64: note: in expansion of macro ‘SWIG_fail’
26625 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26627:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26627 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26627:64: note: in expansion of macro ‘SWIG_fail’
26627 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26629:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26629 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26629:64: note: in expansion of macro ‘SWIG_fail’
26629 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26682 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26682:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26682 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetType__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26798:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26798 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26798:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26798 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetType__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26810:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26810 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26810:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26810 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26812:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26812 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26812:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26812 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26816:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26816 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26816:64: note: in expansion of macro ‘SWIG_fail’
26816 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetVector__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26871:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26871 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26871:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26871 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26877:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26877 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetVector", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26877:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26877 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetVector", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26879:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26879:64: note: in expansion of macro ‘SWIG_fail’
26879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26881:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26881 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26881:64: note: in expansion of macro ‘SWIG_fail’
26881 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26883:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26883 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26883:64: note: in expansion of macro ‘SWIG_fail’
26883 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetAromatic__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26921:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26921 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26921:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26921 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetAromatic(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26927:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26929:64: note: in expansion of macro ‘SWIG_fail’
26929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26931:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26931:64: note: in expansion of macro ‘SWIG_fail’
26931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetInRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26946:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26946 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26946:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26946 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_SetInRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26952:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26952 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26952:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26952 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26954:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26954 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26954:64: note: in expansion of macro ‘SWIG_fail’
26954 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26956:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26956 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26956:64: note: in expansion of macro ‘SWIG_fail’
26956 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_ClearCoordPtr(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26962:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26962 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:26962:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26962 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27178:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27178 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetVector", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27178:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27178 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetVector", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27180:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27180 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27180:64: note: in expansion of macro ‘SWIG_fail’
27180 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27182:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27182 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27182:64: note: in expansion of macro ‘SWIG_fail’
27182 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_BeginBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27240:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27240 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27240:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27240 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_EndBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27249:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27249 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27249:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27249 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetDistance(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27347:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27347 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetDistance", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27347:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27347 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetDistance", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27349:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27349 |     if (!_v) goto check_1; return _wrap_OBAtom_GetDistance__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27349:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27349 |     if (!_v) goto check_1; return _wrap_OBAtom_GetDistance__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) { int _v = 0; {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27351:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27351 |     if (!_v) goto check_2; return _wrap_OBAtom_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27351:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27351 |     if (!_v) goto check_2; return _wrap_OBAtom_GetDistance__SWIG_2(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27353:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27353 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27353:64: note: in expansion of macro ‘SWIG_fail’
27353 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetAngle__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27361:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27361 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27361:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27361 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetAngle__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27374:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27374 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27374:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27374 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_GetAngle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27386:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27386 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27386:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27386 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBAtom_GetAngle", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0; {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27388:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27388 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27388:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27388 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27391:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27391 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27391:64: note: in expansion of macro ‘SWIG_fail’
27391 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_NewResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27397:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27397 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27397:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27397 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_DeleteResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27415:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27415 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27415:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27415 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_ClearBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27462:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27462 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27462:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27462 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBAtom, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_ExplicitHydrogenCount(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27521:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27521 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27521:64: note: in expansion of macro ‘SWIG_fail’
27521 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27523:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27523 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27523:64: note: in expansion of macro ‘SWIG_fail’
27523 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_HasAlphaBetaUnsat(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27794:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27794:64: note: in expansion of macro ‘SWIG_fail’
27794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27796:64: note: in expansion of macro ‘SWIG_fail’
27796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAtom_MatchesSMARTS(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27868:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27868 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27868:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27868 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27904:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27904 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27904:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27904 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27993:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27993 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetLength", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27993:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27993 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetLength", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27995:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27995:64: note: in expansion of macro ‘SWIG_fail’
27995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27997:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27997 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:27997:64: note: in expansion of macro ‘SWIG_fail’
27997 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetAromatic__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28034:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28034 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28034:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28034 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetAromatic(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28040:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28040:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28040 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetAromatic", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28042:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28042:64: note: in expansion of macro ‘SWIG_fail’
28042 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28044:64: note: in expansion of macro ‘SWIG_fail’
28044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedge__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28059:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28059 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28059:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28059 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedge(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28065:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28065 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedge", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28065:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28065 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedge", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28067:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28067 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28067:64: note: in expansion of macro ‘SWIG_fail’
28067 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28069:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28069 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28069:64: note: in expansion of macro ‘SWIG_fail’
28069 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetHash__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28084:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28084 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28084:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28084 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetHash(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28090:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28090 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28090:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28090 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28092:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28092 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28092:64: note: in expansion of macro ‘SWIG_fail’
28092 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28094:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28094 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28094:64: note: in expansion of macro ‘SWIG_fail’
28094 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedgeOrHash__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28110:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28110 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28110:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28110 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetWedgeOrHash(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28116:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28116 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedgeOrHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28116:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28116 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetWedgeOrHash", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28118:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28118 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28118:64: note: in expansion of macro ‘SWIG_fail’
28118 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28120:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28120 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28120:64: note: in expansion of macro ‘SWIG_fail’
28120 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetInRing__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28135:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28135 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28135:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28135 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetInRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28141:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28141 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28141:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28141 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetInRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28143:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28143 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28143:64: note: in expansion of macro ‘SWIG_fail’
28143 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28145:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28145:64: note: in expansion of macro ‘SWIG_fail’
28145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetClosure__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28160 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28160:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28160 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBBond, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_SetClosure(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28166:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28166 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetClosure", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28166:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28166 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_SetClosure", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28168:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28168 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28168:64: note: in expansion of macro ‘SWIG_fail’
28168 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28170:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28170 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28170:64: note: in expansion of macro ‘SWIG_fail’
28170 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_GetBeginAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28237:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetBeginAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28237:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28237 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetBeginAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28239:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28239:64: note: in expansion of macro ‘SWIG_fail’
28239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28241:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28241:64: note: in expansion of macro ‘SWIG_fail’
28241 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_GetEndAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28263:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28263 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetEndAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28263:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28263 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_GetEndAtom", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28265:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28265 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28265:64: note: in expansion of macro ‘SWIG_fail’
28265 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28267:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28267 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28267:64: note: in expansion of macro ‘SWIG_fail’
28267 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBond_IsRotor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28357:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28357 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_IsRotor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28357:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28357 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBond_IsRotor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28359:64: note: in expansion of macro ‘SWIG_fail’
28359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28361:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28361 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28361:64: note: in expansion of macro ‘SWIG_fail’
28361 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReaction_SetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28622:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28622 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28622:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28622 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReaction_SetComment(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28635:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28635 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28635:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28635 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReaction_SetReversible(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28664:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28664:64: note: in expansion of macro ‘SWIG_fail’
28664 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28666:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28666 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28666:64: note: in expansion of macro ‘SWIG_fail’
28666 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBReactionFacade_AssignComponentIds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28729:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28729 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBReactionFacade_AssignComponentIds", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28729:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28729 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBReactionFacade_AssignComponentIds", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28731:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28731 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28731:64: note: in expansion of macro ‘SWIG_fail’
28731 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28733:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28733 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28733:64: note: in expansion of macro ‘SWIG_fail’
28733 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBMol__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28878:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28878 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28878:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28878 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28888:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28888 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMol", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28888:84: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28888 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMol", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28891:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28891 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28891:64: note: in expansion of macro ‘SWIG_fail’
28891 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28897:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28897 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28897:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28897 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddAtom__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28961:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28961 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28961:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28961 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28987:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28987 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28987:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28987 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28990:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28990 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:28990:64: note: in expansion of macro ‘SWIG_fail’
28990 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddBond__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29011 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29011:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29011 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddBond__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29045:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29045 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29045:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29045 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29069:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29069 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddBond", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29069:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29069 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddBond", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29072:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29072 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29072:64: note: in expansion of macro ‘SWIG_fail’
29072 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29075:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29075 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29075:64: note: in expansion of macro ‘SWIG_fail’
29075 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewAtom__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29104:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29104 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29104:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29104 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29114:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29114 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewAtom", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29114:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29114 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewAtom", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29117:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29117:64: note: in expansion of macro ‘SWIG_fail’
29117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29132:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29132 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29132:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29132 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NewBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29142:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29142 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29142:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29142 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NewBond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29145:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29145:64: note: in expansion of macro ‘SWIG_fail’
29145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteAtom__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29174:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29174 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29174:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29174 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29183:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29183 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29183:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29183 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29185:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29185 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29185:64: note: in expansion of macro ‘SWIG_fail’
29185 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29187:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29187 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29187:64: note: in expansion of macro ‘SWIG_fail’
29187 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29208:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29208 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29208:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29208 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29217:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29217 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29217:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29217 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29219:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29219:64: note: in expansion of macro ‘SWIG_fail’
29219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29221:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29221:64: note: in expansion of macro ‘SWIG_fail’
29221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteResidue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29251:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29251 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteResidue", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29251:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29251 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteResidue", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29253:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29253 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29253:64: note: in expansion of macro ‘SWIG_fail’
29253 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29255:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29255 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29255:64: note: in expansion of macro ‘SWIG_fail’
29255 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_BeginModify(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29261:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29261 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29261:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29261 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_EndModify__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29276:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29276 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29276:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29276 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_EndModify(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29282:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29282 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_EndModify", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29282:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29282 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_EndModify", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29284:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29284:64: note: in expansion of macro ‘SWIG_fail’
29284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29286:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29286 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29286:64: note: in expansion of macro ‘SWIG_fail’
29286 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_IncrementMod(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29299:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29299 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29299:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29299 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DecrementMod(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29306:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29306 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29306:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29306 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29335:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29335 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29335:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29335 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29337:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29337 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29337:64: note: in expansion of macro ‘SWIG_fail’
29337 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29339:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29339 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29339:64: note: in expansion of macro ‘SWIG_fail’
29339 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_NumRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29388:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29388 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NumRotors", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29388:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29388 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_NumRotors", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29390:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29390 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29390:64: note: in expansion of macro ‘SWIG_fail’
29390 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29392:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29392:64: note: in expansion of macro ‘SWIG_fail’
29392 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetBond__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29455:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29455 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29455:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29455 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29482:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29482 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29482:88: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29482 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetBond", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29486:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29486 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29486:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29486 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29489:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29489:64: note: in expansion of macro ‘SWIG_fail’
29489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetInternalCoord(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29508:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29508 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29508:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29508 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetTorsion__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29535:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29535 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29535:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29535 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29553:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29553 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29553:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29553 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetTorsion", 0, 5, argv))) SWIG_fail; --argc; if (argc == 5) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29555:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29555 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29555:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29555 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29558 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29558:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29558 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29561:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29561 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29561:64: note: in expansion of macro ‘SWIG_fail’
29561 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetSpacedFormula(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29652:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29652 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetSpacedFormula", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29652:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29652 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetSpacedFormula", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29654:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29654 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29654:64: note: in expansion of macro ‘SWIG_fail’
29654 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29656:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29656 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29656:64: note: in expansion of macro ‘SWIG_fail’
29656 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29658:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29658 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29658:64: note: in expansion of macro ‘SWIG_fail’
29658 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29660:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29660:64: note: in expansion of macro ‘SWIG_fail’
29660 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetMolWt(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29689:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29689 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetMolWt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29689:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29689 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetMolWt", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29691:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29691 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29691:64: note: in expansion of macro ‘SWIG_fail’
29691 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29693:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29693 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29693:64: note: in expansion of macro ‘SWIG_fail’
29693 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetExactMass(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29714:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29714 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29714:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29714 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetExactMass", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29716:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29716 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29716:64: note: in expansion of macro ‘SWIG_fail’
29716 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29718:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29718 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29718:64: note: in expansion of macro ‘SWIG_fail’
29718 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTitle__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29792:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29792 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29792:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29792 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTitle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29806:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29806 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29806:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29806 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTitle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29810:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29810 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29810:64: note: in expansion of macro ‘SWIG_fail’
29810 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAromaticPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29909:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29909 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29909:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29909 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAromaticPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29917:64: note: in expansion of macro ‘SWIG_fail’
29917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29919:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29919 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29919:64: note: in expansion of macro ‘SWIG_fail’
29919 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSSSRPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29934:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29934 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29934:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29934 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSSSRPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29940:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29940 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29940:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29940 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29942:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29942 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29942:64: note: in expansion of macro ‘SWIG_fail’
29942 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29944:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29944 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29944:64: note: in expansion of macro ‘SWIG_fail’
29944 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetLSSRPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29959:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29959 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29959:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29959 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetLSSRPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29965:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29965 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetLSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29965:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29965 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetLSSRPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29967:64: note: in expansion of macro ‘SWIG_fail’
29967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29969:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29969 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29969:64: note: in expansion of macro ‘SWIG_fail’
29969 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingAtomsAndBondsPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29984:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29984 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29984:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29984 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingAtomsAndBondsPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29991:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29991 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetRingAtomsAndBondsPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29991:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29991 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetRingAtomsAndBondsPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29993:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29993:64: note: in expansion of macro ‘SWIG_fail’
29993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29995:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:29995:64: note: in expansion of macro ‘SWIG_fail’
29995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAtomTypesPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30010:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30010 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30010:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30010 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetAtomTypesPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30018:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30018 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30018:64: note: in expansion of macro ‘SWIG_fail’
30018 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30020:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30020:64: note: in expansion of macro ‘SWIG_fail’
30020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingTypesPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30035:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30035 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30035:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30035 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetRingTypesPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30043:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30043 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30043:64: note: in expansion of macro ‘SWIG_fail’
30043 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30045:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30045 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30045:64: note: in expansion of macro ‘SWIG_fail’
30045 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChainsPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30060:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30060 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30060:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30060 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChainsPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30068:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30068 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30068:64: note: in expansion of macro ‘SWIG_fail’
30068 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30070:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30070 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30070:64: note: in expansion of macro ‘SWIG_fail’
30070 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChiralityPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30085:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30085 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30085:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30085 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetChiralityPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30093:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30093 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30093:64: note: in expansion of macro ‘SWIG_fail’
30093 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30095:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30095 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30095:64: note: in expansion of macro ‘SWIG_fail’
30095 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPartialChargesPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30110:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30110 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30110:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30110 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPartialChargesPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30117:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30117 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPartialChargesPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30117:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30117 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPartialChargesPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30119:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30119:64: note: in expansion of macro ‘SWIG_fail’
30119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30121:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30121:64: note: in expansion of macro ‘SWIG_fail’
30121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHybridizationPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30136:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30136 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30136:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30136 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHybridizationPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30143:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30143 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHybridizationPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30143:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30143 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHybridizationPerceived", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30145:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30145:64: note: in expansion of macro ‘SWIG_fail’
30145 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30147:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30147 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30147:64: note: in expansion of macro ‘SWIG_fail’
30147 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetClosureBondsPerceived__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30162:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30162 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30162:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30162 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetClosureBondsPerceived(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30169:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30169 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetClosureBondsPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30169:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30169 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetClosureBondsPerceived", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30171:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30171 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30171:64: note: in expansion of macro ‘SWIG_fail’
30171 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30173:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30173 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30173:64: note: in expansion of macro ‘SWIG_fail’
30173 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHydrogensAdded__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30188:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30188 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30188:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30188 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetHydrogensAdded(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30194:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30194 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHydrogensAdded", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30194:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30194 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetHydrogensAdded", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30196:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30196 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30196:64: note: in expansion of macro ‘SWIG_fail’
30196 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30198:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30198 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30198:64: note: in expansion of macro ‘SWIG_fail’
30198 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetCorrectedForPH__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30213:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30213 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30213:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30213 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetCorrectedForPH(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30219:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30219 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetCorrectedForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30219:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30219 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetCorrectedForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30221:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30221:64: note: in expansion of macro ‘SWIG_fail’
30221 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30223:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30223 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30223:64: note: in expansion of macro ‘SWIG_fail’
30223 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSpinMultiplicityAssigned__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30238:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30238 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30238:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30238 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetSpinMultiplicityAssigned(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30245:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30245 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSpinMultiplicityAssigned", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30245:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30245 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetSpinMultiplicityAssigned", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30247:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30247 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30247:64: note: in expansion of macro ‘SWIG_fail’
30247 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30249:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30249 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30249:64: note: in expansion of macro ‘SWIG_fail’
30249 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsPatternStructure__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30264:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30264 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30264:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30264 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsPatternStructure(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30272:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30272:64: note: in expansion of macro ‘SWIG_fail’
30272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30274:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30274 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30274:64: note: in expansion of macro ‘SWIG_fail’
30274 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsReaction__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30289:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30289 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30289:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30289 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetIsReaction(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30295:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30295 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetIsReaction", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30295:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30295 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetIsReaction", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30297:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30297 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30297:64: note: in expansion of macro ‘SWIG_fail’
30297 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30299:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30299 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30299:64: note: in expansion of macro ‘SWIG_fail’
30299 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPeriodicMol__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30314:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30314 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30314:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30314 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetPeriodicMol(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30320:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30320 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPeriodicMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30320:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30320 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetPeriodicMol", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30322:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30322 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30322:64: note: in expansion of macro ‘SWIG_fail’
30322 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30324:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30324 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30324:64: note: in expansion of macro ‘SWIG_fail’
30324 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_RenumberAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30392:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30392 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_RenumberAtoms", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30392:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30392 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_RenumberAtoms", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30397:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30397 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30397:64: note: in expansion of macro ‘SWIG_fail’
30397 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ToInertialFrame__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30416:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30416 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30416:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30416 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ToInertialFrame__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30428:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30428 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30428:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30428 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ToInertialFrame(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30434:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30434 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_ToInertialFrame", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30434:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30434 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_ToInertialFrame", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30436:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30436:64: note: in expansion of macro ‘SWIG_fail’
30436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30438:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30438 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30438:64: note: in expansion of macro ‘SWIG_fail’
30438 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Translate__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30457:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30457 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30457:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30457 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Translate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30471:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30471 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30471:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30471 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Translate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30473:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30473 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30473:64: note: in expansion of macro ‘SWIG_fail’
30473 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30475:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30475 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30475:64: note: in expansion of macro ‘SWIG_fail’
30475 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Rotate__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30503:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30503 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30503:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30503 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Rotate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30514:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30514 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Rotate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30514:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30514 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Rotate", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30516:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30516 |     if (!_v) goto check_1; return _wrap_OBMol_Rotate__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30516:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30516 |     if (!_v) goto check_1; return _wrap_OBMol_Rotate__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30519:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30519 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30519:64: note: in expansion of macro ‘SWIG_fail’
30519 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Center__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30525:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30525 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30525:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30525 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteHydrogens__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30540:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30540 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30540:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30540 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_DeleteHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30549:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30549 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteHydrogens", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30549:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30549 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_DeleteHydrogens", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30551:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30551:64: note: in expansion of macro ‘SWIG_fail’
30551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30553:64: note: in expansion of macro ‘SWIG_fail’
30553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddHydrogens__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30599:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30599 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30599:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30599 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddHydrogens__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30627:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30627 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30627:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30627 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30636:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30636 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30636:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30636 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30638:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30638 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30638:64: note: in expansion of macro ‘SWIG_fail’
30638 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30640:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30640 |     if (!_v) goto check_2; return _wrap_OBMol_AddHydrogens__SWIG_4(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30640:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30640 |     if (!_v) goto check_2; return _wrap_OBMol_AddHydrogens__SWIG_4(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30642:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30642 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30642:64: note: in expansion of macro ‘SWIG_fail’
30642 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30644:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30644 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30644:64: note: in expansion of macro ‘SWIG_fail’
30644 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30646:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30646 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30646:64: note: in expansion of macro ‘SWIG_fail’
30646 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddNewHydrogens__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30682 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30682:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30682 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AddNewHydrogens(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30701 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddNewHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30701:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30701 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_AddNewHydrogens", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30703:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30703 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30703:64: note: in expansion of macro ‘SWIG_fail’
30703 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30705:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30705 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30705:64: note: in expansion of macro ‘SWIG_fail’
30705 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30707:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30707 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30707:64: note: in expansion of macro ‘SWIG_fail’
30707 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_StripSalts(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30730:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30730 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_StripSalts", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30730:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30730 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_StripSalts", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30732:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30732 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30732:64: note: in expansion of macro ‘SWIG_fail’
30732 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30734:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30734:64: note: in expansion of macro ‘SWIG_fail’
30734 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Separate__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30741:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30741 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30741:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30741 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Separate__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30752:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30752 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30752:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30752 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Separate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30759:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30759 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Separate", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30759:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30759 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Separate", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30761:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30761:64: note: in expansion of macro ‘SWIG_fail’
30761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30763:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30763:64: note: in expansion of macro ‘SWIG_fail’
30763 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CopySubstructure__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30825:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30825 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30825:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30825 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CopySubstructure__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30853:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30853 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30853:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30853 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CopySubstructure(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30909:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30909 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CopySubstructure", 0, 7, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30909:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30909 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CopySubstructure", 0, 7, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30911:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30911 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30911:64: note: in expansion of macro ‘SWIG_fail’
30911 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30913:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30913 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30913:64: note: in expansion of macro ‘SWIG_fail’
30913 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30915:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30915 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30915:64: note: in expansion of macro ‘SWIG_fail’
30915 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30917:64: note: in expansion of macro ‘SWIG_fail’
30917 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 7) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30919:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30919 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30919:64: note: in expansion of macro ‘SWIG_fail’
30919 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_CorrectForPH(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30966:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30966 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CorrectForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30966:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30966 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_CorrectForPH", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30968:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30968 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30968:64: note: in expansion of macro ‘SWIG_fail’
30968 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30970:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30970 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30970:64: note: in expansion of macro ‘SWIG_fail’
30970 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_AssignSpinMultiplicity(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30993:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30993:64: note: in expansion of macro ‘SWIG_fail’
30993 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30995:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:30995:64: note: in expansion of macro ‘SWIG_fail’
30995 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Center(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31020:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31020 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Center", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31020:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31020 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Center", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31023:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31023 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31023:64: note: in expansion of macro ‘SWIG_fail’
31023 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindSSSR(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31053:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31053 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31053:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31053 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindLSSR(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31060:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31060 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31060:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31060 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindRingAtomsAndBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31067:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31067 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31067:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31067 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_ConnectTheDots(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31146 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31146:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31146 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_PerceiveBondOrders(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31153:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31153 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31153:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31153 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindAngles(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31160 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31160:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31160 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_FindTorsions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31167:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31167 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31167:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31167 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Has2D__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31222:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31222 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31222:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31222 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_Has2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31228:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31228 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Has2D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31228:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31228 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_Has2D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31231:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31231 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31231:64: note: in expansion of macro ‘SWIG_fail’
31231 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_GetEnergy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31473:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31473 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetEnergy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31473:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31473 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_GetEnergy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31475:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31475 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31475:64: note: in expansion of macro ‘SWIG_fail’
31475 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31477:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31477 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31477:64: note: in expansion of macro ‘SWIG_fail’
31477 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTorsion__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31562:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31562 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31562:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31562 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMol_SetTorsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31578:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31578 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTorsion", 0, 6, argv))) SWIG_fail; --argc; if (argc == 6) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31578:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31578 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMol_SetTorsion", 0, 6, argv))) SWIG_fail; --argc; if (argc == 6) { int _v = 0; {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31580:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31580 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31580:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31580 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31583:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31583 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31583:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31583 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[4], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31585:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31585 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_1: if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31585:64: note: in expansion of macro ‘SWIG_fail’
31585 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_1: if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31587:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31587 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31587:64: note: in expansion of macro ‘SWIG_fail’
31587 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_ThrowError__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31608:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31608 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31608:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31608 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_ThrowError(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31618:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31618 |   if (!(argc = SWIG_Python_UnpackTuple(args, "ThrowError", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31618:85: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31618 |   if (!(argc = SWIG_Python_UnpackTuple(args, "ThrowError", 0, 1, argv))) SWIG_fail; --argc; if (argc == 1) { int _v = 0; {
      |                                                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31622:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31622 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31622:64: note: in expansion of macro ‘SWIG_fail’
31622 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRing__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31830:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31830 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBRing,  0  | 0);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31830:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31830 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBRing,  0  | 0);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31840:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31840 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31840:85: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31840 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBRing", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31843:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31843 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31843:64: note: in expansion of macro ‘SWIG_fail’
31843 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31847:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31847 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31847:64: note: in expansion of macro ‘SWIG_fail’
31847 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRing_SetType__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31883:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31883 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31883:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31883 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRing_SetType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31897:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31897 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31897:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31897 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_SetType", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31901:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31901 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31901:64: note: in expansion of macro ‘SWIG_fail’
31901 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRing_IsMember(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31942:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31942 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_IsMember", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31942:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31942 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRing_IsMember", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0; {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31944:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31944 |     if (!_v) goto check_1; return _wrap_OBRing_IsMember__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31944:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31944 |     if (!_v) goto check_1; return _wrap_OBRing_IsMember__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31946:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31946 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:31946:64: note: in expansion of macro ‘SWIG_fail’
31946 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBRing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32005:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32005 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32005:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32005 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBRTree(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32149:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32149 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32149:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32149 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSmartsPattern(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32212:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32212 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSmartsPattern", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32212:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32212 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSmartsPattern", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32214:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32214 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32214:64: note: in expansion of macro ‘SWIG_fail’
32214 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32216:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32216 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32216:64: note: in expansion of macro ‘SWIG_fail’
32216 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Init__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32231:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32231 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32231:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32231 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Init__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32244:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32244 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32244:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32244 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Init(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32246:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32246 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Init", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32246:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32246 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Init", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32248:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32248 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_Init__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32248:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32248 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_Init__SWIG_1(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32250:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32250 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32250:64: note: in expansion of macro ‘SWIG_fail’
32250 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_Match(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32428:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32428 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Match", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32428:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32428 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_Match", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32430:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32430 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32430:64: note: in expansion of macro ‘SWIG_fail’
32430 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32434:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32434 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32434:64: note: in expansion of macro ‘SWIG_fail’
32434 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32436:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32436:64: note: in expansion of macro ‘SWIG_fail’
32436 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsPattern_RestrictedMatch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32543:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32543 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_RestrictedMatch", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32543:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32543 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsPattern_RestrictedMatch", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32549:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32549 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32549:64: note: in expansion of macro ‘SWIG_fail’
32549 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32553:64: note: in expansion of macro ‘SWIG_fail’
32553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32555:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32555 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32555:64: note: in expansion of macro ‘SWIG_fail’
32555 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSmartsMatcher_match(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32700:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32700 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsMatcher_match", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32700:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32700 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSmartsMatcher_match", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32702:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32702 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32702:64: note: in expansion of macro ‘SWIG_fail’
32702 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32704:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32704:64: note: in expansion of macro ‘SWIG_fail’
32704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBSSMatch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32738:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32738 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32738:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32738 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSSMatch_Match(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32776:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32776 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSSMatch_Match", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32776:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32776 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSSMatch_Match", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32778:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32778 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32778:64: note: in expansion of macro ‘SWIG_fail’
32778 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32780:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32780 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32780:64: note: in expansion of macro ‘SWIG_fail’
32780 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_SetAlias__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32834:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32834 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32834:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32834 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_SetAlias__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32844:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32844 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32844:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32844 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_SetAlias(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32846:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32846 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_SetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32846:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32846 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_SetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32850:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32850 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32850:64: note: in expansion of macro ‘SWIG_fail’
32850 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_AliasData_GetAlias(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32872:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32872 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_GetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32872:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32872 |   if (!(argc = SWIG_Python_UnpackTuple(args, "AliasData_GetAlias", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32874:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32874 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32874:64: note: in expansion of macro ‘SWIG_fail’
32874 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32876:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32876 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32876:64: note: in expansion of macro ‘SWIG_fail’
32876 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_AliasData(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32930:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32930 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32930:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32930 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32961:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32961 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:32961:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32961 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_GetBit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33005:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33005 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33005:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33005 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_GetFingerprint(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33064:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33064 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33064:64: note: in expansion of macro ‘SWIG_fail’
33064 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33066:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33066 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33066:64: note: in expansion of macro ‘SWIG_fail’
33066 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_DescribeBits(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33119:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33119:64: note: in expansion of macro ‘SWIG_fail’
33119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33121:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33121:64: note: in expansion of macro ‘SWIG_fail’
33121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_Tanimoto__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33144:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33144 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33144:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33144 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33145:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33145 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33145:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33145 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_Tanimoto__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33149:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33149 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33149:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33149 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; {
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33160 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33160:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33160 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_Tanimoto(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33162:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33162 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFingerprint_Tanimoto", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33162:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33162 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBFingerprint_Tanimoto", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33166:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33166 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33166:64: note: in expansion of macro ‘SWIG_fail’
33166 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBFingerprint_FindFingerprint(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33184:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33184 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33184:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33184 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FptIndexHeader_fpid_set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33256:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
33256 |   else memset(arg1->fpid,0,15*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33256:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
33256 |   else memset(arg1->fpid,0,15*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |                                              ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FptIndexHeader_datafilename_set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33293:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
33293 |   else memset(arg1->datafilename,0,256*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33293:55: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
33293 |   else memset(arg1->datafilename,0,256*sizeof(char)); resultobj = SWIG_Py_Void(); return resultobj; fail: return NULL; }
      |                                                       ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FastSearch_FindSimilar(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33477:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33477 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FastSearch_FindSimilar", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33477:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33477 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FastSearch_FindSimilar", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33479:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33479 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33479:64: note: in expansion of macro ‘SWIG_fail’
33479 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33483:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33483:64: note: in expansion of macro ‘SWIG_fail’
33483 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33485:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33485 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33485:64: note: in expansion of macro ‘SWIG_fail’
33485 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_FastSearchIndexer__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33530:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33530 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_std__string,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33530:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33530 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_std__string,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_FastSearchIndexer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33621:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33621 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_FastSearchIndexer", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33621:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33621 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_FastSearchIndexer", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33623:64: note: in expansion of macro ‘SWIG_fail’
33623 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33625:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33625 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33625:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33625 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33628:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33628 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33628:64: note: in expansion of macro ‘SWIG_fail’
33628 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33630:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33630 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33630:64: note: in expansion of macro ‘SWIG_fail’
33630 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33632:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33632 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33632:64: note: in expansion of macro ‘SWIG_fail’
33632 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBDescriptor__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33692:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33692 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33692:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33692 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBDescriptor__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33700:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33700 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33700:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33700 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBDescriptor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33702:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33702 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBDescriptor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33702:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33702 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBDescriptor", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33704:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33704:64: note: in expansion of macro ‘SWIG_fail’
33704 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33706:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33706 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33706:64: note: in expansion of macro ‘SWIG_fail’
33706 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33718:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33718 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33718:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33718 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Predict(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33746:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33746 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Predict", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33746:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33746 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Predict", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33748:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33748 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33748:64: note: in expansion of macro ‘SWIG_fail’
33748 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33750:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33750:64: note: in expansion of macro ‘SWIG_fail’
33750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_PredictAndSave(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33783:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33783 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33783:64: note: in expansion of macro ‘SWIG_fail’
33783 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33785:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33785 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33785:64: note: in expansion of macro ‘SWIG_fail’
33785 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_GetStringValue(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33828:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33828 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33828:64: note: in expansion of macro ‘SWIG_fail’
33828 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33830:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33830 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33830:64: note: in expansion of macro ‘SWIG_fail’
33830 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Compare(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33878:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33878 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Compare", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33878:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33878 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Compare", 0, 5, argv))) SWIG_fail; --argc; if (argc == 4) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33880:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33880 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33880:64: note: in expansion of macro ‘SWIG_fail’
33880 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33882:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33882 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33882:64: note: in expansion of macro ‘SWIG_fail’
33882 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Display__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33907:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33907 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33907:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33907 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33908:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33908 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33908:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33908 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Display__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33925:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33925 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33925:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33925 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Display(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33927:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33927 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Display", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33929:64: note: in expansion of macro ‘SWIG_fail’
33929 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33931:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33931:64: note: in expansion of macro ‘SWIG_fail’
33931 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_Order(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33962:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33962 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Order", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33962:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33962 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBDescriptor_Order", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) { int _v = 0;
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33967:64: note: in expansion of macro ‘SWIG_fail’
33967 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_AddProperties(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33998:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33998 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:33998:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33998 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBDescriptor_DeleteProperties(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:34011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34011 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:34011:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34011 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35432:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35432 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35432:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35432 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindForceField__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35451:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35451 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35451:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35451 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35458:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35458 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35458:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35458 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindForceField__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35467:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35467 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35467:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35467 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FindForceField(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35471:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35471 |     if (!_v) goto check_1; return _wrap_OBForceField_FindForceField__SWIG_0(self, argc, argv);}  check_1: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35471:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35471 |     if (!_v) goto check_1; return _wrap_OBForceField_FindForceField__SWIG_0(self, argc, argv);}  check_1: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35473:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35473 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35473:64: note: in expansion of macro ‘SWIG_fail’
35473 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SetParameterFile(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35489:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35489 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35489:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35489 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35536:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35536 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35536:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35536 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35538:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35538 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35538:64: note: in expansion of macro ‘SWIG_fail’
35538 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35540:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35540 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35540:64: note: in expansion of macro ‘SWIG_fail’
35540 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_GetGrid(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35721:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35721 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35721:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35721 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return resultobj; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_GetGradient(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35935:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35935 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35935:64: note: in expansion of macro ‘SWIG_fail’
35935 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35937:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35937 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35937:64: note: in expansion of macro ‘SWIG_fail’
35937 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_Energy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35966:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35966 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Energy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35966:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35966 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_Energy", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35968:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35968 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35968:64: note: in expansion of macro ‘SWIG_fail’
35968 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35970:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35970 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35970:64: note: in expansion of macro ‘SWIG_fail’
35970 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Bond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35992:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35992 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Bond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35992:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35992 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Bond", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35994:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35994 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35994:64: note: in expansion of macro ‘SWIG_fail’
35994 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35996:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:35996:64: note: in expansion of macro ‘SWIG_fail’
35996 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Angle(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36018:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36018 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Angle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36018:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36018 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Angle", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36020:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36020:64: note: in expansion of macro ‘SWIG_fail’
36020 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36022:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36022 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36022:64: note: in expansion of macro ‘SWIG_fail’
36022 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_StrBnd(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36044:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36044 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_StrBnd", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36044:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36044 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_StrBnd", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36046:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36046:64: note: in expansion of macro ‘SWIG_fail’
36046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36048:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36048 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36048:64: note: in expansion of macro ‘SWIG_fail’
36048 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Torsion(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36070:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36070 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Torsion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36070:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36070 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_Torsion", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36072:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36072 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36072:64: note: in expansion of macro ‘SWIG_fail’
36072 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36074:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36074 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36074:64: note: in expansion of macro ‘SWIG_fail’
36074 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_OOP(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36096:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36096 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_OOP", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36096:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36096 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_OOP", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36098:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36098 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36098:64: note: in expansion of macro ‘SWIG_fail’
36098 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36100:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36100 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36100:64: note: in expansion of macro ‘SWIG_fail’
36100 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_VDW(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36122:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36122 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_VDW", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36122:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36122 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_E_VDW", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36124:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36124 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36124:64: note: in expansion of macro ‘SWIG_fail’
36124 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36126:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36126 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36126:64: note: in expansion of macro ‘SWIG_fail’
36126 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_E_Electrostatic(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36150:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36150:64: note: in expansion of macro ‘SWIG_fail’
36150 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36152:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36152 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36152:64: note: in expansion of macro ‘SWIG_fail’
36152 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_OBFFLog__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36233:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36233 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36233:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36233 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return resultobj; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_OBFFLog(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36235:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36235 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_OBFFLog", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36235:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36235 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_OBFFLog", 0, 2, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36237:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36237 |     if (!_v) goto check_1; return _wrap_OBForceField_OBFFLog__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36237:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36237 |     if (!_v) goto check_1; return _wrap_OBForceField_OBFFLog__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36239:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36239:64: note: in expansion of macro ‘SWIG_fail’
36239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SystematicRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36282:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36282 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearch", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36282:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36282 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearch", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36284:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36284:64: note: in expansion of macro ‘SWIG_fail’
36284 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36286:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36286 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36286:64: note: in expansion of macro ‘SWIG_fail’
36286 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36288:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36288 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36288:64: note: in expansion of macro ‘SWIG_fail’
36288 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SystematicRotorSearchInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36325:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36325 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchInitialize", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36325:119: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36325 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchInitialize", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36327:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36327 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36327:64: note: in expansion of macro ‘SWIG_fail’
36327 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36329:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36329 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36329:64: note: in expansion of macro ‘SWIG_fail’
36329 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36331:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36331 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36331:64: note: in expansion of macro ‘SWIG_fail’
36331 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SystematicRotorSearchNextConformer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36355:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36355 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36355:122: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36355 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SystematicRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36357:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36357 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36357:64: note: in expansion of macro ‘SWIG_fail’
36357 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36359:64: note: in expansion of macro ‘SWIG_fail’
36359 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_RandomRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36403:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36403 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearch", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36403:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36403 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearch", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36405:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36405 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36405:64: note: in expansion of macro ‘SWIG_fail’
36405 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36407:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36407 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36407:64: note: in expansion of macro ‘SWIG_fail’
36407 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36409:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36409 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36409:64: note: in expansion of macro ‘SWIG_fail’
36409 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_RandomRotorSearchInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36454:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36454 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36454:115: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36454 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                                   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36456:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36456 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36456:64: note: in expansion of macro ‘SWIG_fail’
36456 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36458:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36458 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36458:64: note: in expansion of macro ‘SWIG_fail’
36458 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36460:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36460 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36460:64: note: in expansion of macro ‘SWIG_fail’
36460 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_RandomRotorSearchNextConformer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36485:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36485 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36485:118: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36485 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_RandomRotorSearchNextConformer", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36487:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36487 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36487:64: note: in expansion of macro ‘SWIG_fail’
36487 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36489:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36489:64: note: in expansion of macro ‘SWIG_fail’
36489 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_WeightedRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36523:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36523 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_WeightedRotorSearch", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36523:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36523 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_WeightedRotorSearch", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36525:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36525:64: note: in expansion of macro ‘SWIG_fail’
36525 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36527:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36527 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36527:64: note: in expansion of macro ‘SWIG_fail’
36527 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_FastRotorSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36551:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36551:64: note: in expansion of macro ‘SWIG_fail’
36551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36553:64: note: in expansion of macro ‘SWIG_fail’
36553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_DiverseConfGen(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36615:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36615 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36615:64: note: in expansion of macro ‘SWIG_fail’
36615 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36617:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36617 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36617:64: note: in expansion of macro ‘SWIG_fail’
36617 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36619 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36619:64: note: in expansion of macro ‘SWIG_fail’
36619 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36621:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36621 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36621:64: note: in expansion of macro ‘SWIG_fail’
36621 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_LineSearch(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36678:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36678 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_LineSearch", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36678:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36678 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_LineSearch", 0, 3, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36682:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36682 |      if (!_v) goto check_1; return _wrap_OBForceField_LineSearch__SWIG_0(self, argc, argv);}  check_1: if (argc == 3) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36682:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36682 |      if (!_v) goto check_1; return _wrap_OBForceField_LineSearch__SWIG_0(self, argc, argv);}  check_1: if (argc == 3) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36684:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36684 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36684:64: note: in expansion of macro ‘SWIG_fail’
36684 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SteepestDescent(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36757:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36757 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36757:64: note: in expansion of macro ‘SWIG_fail’
36757 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36759:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36759 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36759:64: note: in expansion of macro ‘SWIG_fail’
36759 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36761:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36761:64: note: in expansion of macro ‘SWIG_fail’
36761 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_SteepestDescentInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36813:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36813 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SteepestDescentInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36813:113: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36813 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_SteepestDescentInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36815:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36815 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36815:64: note: in expansion of macro ‘SWIG_fail’
36815 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36817:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36817 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36817:64: note: in expansion of macro ‘SWIG_fail’
36817 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36819:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36819 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36819:64: note: in expansion of macro ‘SWIG_fail’
36819 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36821:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36821 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36821:64: note: in expansion of macro ‘SWIG_fail’
36821 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_ConjugateGradients(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36878:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36878 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradients", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36878:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36878 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradients", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36880:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36880 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36880:64: note: in expansion of macro ‘SWIG_fail’
36880 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36882:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36882 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36882:64: note: in expansion of macro ‘SWIG_fail’
36882 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36884:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36884 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36884:64: note: in expansion of macro ‘SWIG_fail’
36884 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_ConjugateGradientsInitialize(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36936:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36936 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradientsInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36936:116: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36936 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_ConjugateGradientsInitialize", 0, 4, argv))) SWIG_fail; --argc;
      |                                                                                                                    ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36938:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36938 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36938:64: note: in expansion of macro ‘SWIG_fail’
36938 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36940:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36940 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36940:64: note: in expansion of macro ‘SWIG_fail’
36940 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36942:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36942 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36942:64: note: in expansion of macro ‘SWIG_fail’
36942 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36944:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36944 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:36944:64: note: in expansion of macro ‘SWIG_fail’
36944 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_MolecularDynamicsTakeNSteps(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37022:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37022 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_MolecularDynamicsTakeNSteps", 0, 5, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37022:115: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37022 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_MolecularDynamicsTakeNSteps", 0, 5, argv))) SWIG_fail; --argc;
      |                                                                                                                   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37024:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37024 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37024:64: note: in expansion of macro ‘SWIG_fail’
37024 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37026:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37026 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37026:64: note: in expansion of macro ‘SWIG_fail’
37026 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37028:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37028 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37028:64: note: in expansion of macro ‘SWIG_fail’
37028 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_IgnoreCalculation(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37124:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37124 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_IgnoreCalculation", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37124:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37124 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_IgnoreCalculation", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37126:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37126 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37126:64: note: in expansion of macro ‘SWIG_fail’
37126 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37128:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37128 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37128:64: note: in expansion of macro ‘SWIG_fail’
37128 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37130:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37130 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37130:64: note: in expansion of macro ‘SWIG_fail’
37130 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorAngleDerivative__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37298:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37298 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37298:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37298 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__vector3,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorAngleDerivative(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37318:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37318 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorAngleDerivative", 0, 6, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37318:109: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37318 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorAngleDerivative", 0, 6, argv))) SWIG_fail; --argc;
      |                                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37320:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37320 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37320:64: note: in expansion of macro ‘SWIG_fail’
37320 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37322:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37322 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37322:64: note: in expansion of macro ‘SWIG_fail’
37322 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorOOPDerivative__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37334:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37334 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37334:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37334 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorOOPDerivative(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37389:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37389 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorOOPDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37389:107: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37389 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorOOPDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |                                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37391:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37391 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37391:64: note: in expansion of macro ‘SWIG_fail’
37391 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37393:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37393 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37393:64: note: in expansion of macro ‘SWIG_fail’
37393 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorTorsionDerivative__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37405:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37405 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37405:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37405 |   if ((nobjs < 8) || (nobjs > 8)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorTorsionDerivative(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37460:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37460 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorTorsionDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37460:111: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37460 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBForceField_VectorTorsionDerivative", 0, 8, argv))) SWIG_fail; --argc;
      |                                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37462:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37462 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37462:64: note: in expansion of macro ‘SWIG_fail’
37462 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 8) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37464:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37464 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37464:64: note: in expansion of macro ‘SWIG_fail’
37464 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBForceField_VectorLength(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37552:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37552 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37552:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37552 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_Build(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37710:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37710 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Build", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37710:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37710 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Build", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37712:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37712:64: note: in expansion of macro ‘SWIG_fail’
37712 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37714:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37714 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37714:64: note: in expansion of macro ‘SWIG_fail’
37714 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_SetKeepRings(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37720:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37720 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37720:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37720 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_UnsetKeepRings(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37727:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37727:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_AddRingFragment(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37752:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37752 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37752:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37752 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_LoadFragments(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37755:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37755 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37755:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37755 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_GetNewBondVector(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37794:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37794:64: note: in expansion of macro ‘SWIG_fail’
37794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37796:64: note: in expansion of macro ‘SWIG_fail’
37796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_Connect__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37844:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37844 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37844:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37844 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_Connect(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37871:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37871 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Connect", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37871:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37871 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBBuilder_Connect", 0, 5, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37873:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37873 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37873:64: note: in expansion of macro ‘SWIG_fail’
37873 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37875:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37875 |      if (!_v) goto check_2; return _wrap_OBBuilder_Connect__SWIG_1(self, argc, argv);}  check_2: if (argc == 4) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37875:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37875 |      if (!_v) goto check_2; return _wrap_OBBuilder_Connect__SWIG_1(self, argc, argv);}  check_2: if (argc == 4) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37877:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37877 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37877:64: note: in expansion of macro ‘SWIG_fail’
37877 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37879:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37879:64: note: in expansion of macro ‘SWIG_fail’
37879 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_CorrectStereoBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37906:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37906 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37906:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37906 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_CorrectStereoAtoms__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37926:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37926 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37926:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37926 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBBuilder_CorrectStereoAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37936:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37936 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37936:64: note: in expansion of macro ‘SWIG_fail’
37936 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37938:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37938 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37938:64: note: in expansion of macro ‘SWIG_fail’
37938 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBBuilder(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37977:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37977 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:37977:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37977 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38001:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38001 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38001:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38001 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_AsCharPtrAndSize(swig_obj[0], &buf1, NULL, &alloc1);
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38006:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38006 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38006:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38006 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38012:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38012 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38012:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38012 |   if ((nobjs < 5) || (nobjs > 5)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38030:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38030 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38030:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38030 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38035:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38035 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38035:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38035 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBOp, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38050:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38050 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38050:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38050 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38065:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38065 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38065:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38065 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBOp_Do(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38077:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38077 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOp_Do", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38077:82: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38077 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBOp_Do", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38080:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38080:64: note: in expansion of macro ‘SWIG_fail’
38080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38083:64: note: in expansion of macro ‘SWIG_fail’
38083 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBOp(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38142:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38142 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38142:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38142 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBChargeModel__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38169:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38169 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38169:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38169 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBChargeModel__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38178:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38178 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38178:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38178 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBChargeModel(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38180:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38180 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBChargeModel", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38180:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38180 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBChargeModel", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38182:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38182 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38182:64: note: in expansion of macro ‘SWIG_fail’
38182 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38184:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38184 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38184:64: note: in expansion of macro ‘SWIG_fail’
38184 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChargeModel_FindType(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38196:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38196 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38196:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38196 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChargeModel_ComputeCharges__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38226:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38226 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38226:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38226 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChargeModel_ComputeCharges(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38230:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38230 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38230:64: note: in expansion of macro ‘SWIG_fail’
38230 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38232:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38232 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38232:64: note: in expansion of macro ‘SWIG_fail’
38232 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBChemTsfm_Init(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38317:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38317 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38317:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38317 |   if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38318:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38318 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38318:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38318 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBPhModel(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38364:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38364 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38364:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38364 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBPhModel_CorrectForPH(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38412:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38412 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPhModel_CorrectForPH", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38412:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38412 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBPhModel_CorrectForPH", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38414:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38414 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38414:64: note: in expansion of macro ‘SWIG_fail’
38414 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38416:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38416 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38416:64: note: in expansion of macro ‘SWIG_fail’
38416 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBGraphSym(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38453:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38453 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGraphSym", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38453:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38453 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBGraphSym", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38455:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38455 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38455:64: note: in expansion of macro ‘SWIG_fail’
38455 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38457:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38457 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38457:64: note: in expansion of macro ‘SWIG_fail’
38457 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_GetInstance__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38517:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38517 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38517:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38517 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38528:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38528 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38528:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38528 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_GetInstance(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38540:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38540 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_GetInstance", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38540:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38540 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_GetInstance", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38542:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38542 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38542:64: note: in expansion of macro ‘SWIG_fail’
38542 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38544:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38544 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38544:64: note: in expansion of macro ‘SWIG_fail’
38544 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapFirst(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38594:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38594 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38594:64: note: in expansion of macro ‘SWIG_fail’
38594 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38596:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38596 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38596:64: note: in expansion of macro ‘SWIG_fail’
38596 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapUnique(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38646:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38646 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapUnique", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38646:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38646 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapUnique", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38648:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38648 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38648:64: note: in expansion of macro ‘SWIG_fail’
38648 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38650:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38650 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38650:64: note: in expansion of macro ‘SWIG_fail’
38650 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapAll(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38729:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38729 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38729:64: note: in expansion of macro ‘SWIG_fail’
38729 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38731:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38731 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38731:64: note: in expansion of macro ‘SWIG_fail’
38731 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38733:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38733 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38733:64: note: in expansion of macro ‘SWIG_fail’
38733 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBIsomorphismMapper_MapGeneric(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38782:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38782 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapGeneric", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38782:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38782 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBIsomorphismMapper_MapGeneric", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38784:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38784 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38784:64: note: in expansion of macro ‘SWIG_fail’
38784 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38786:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38786 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38786:64: note: in expansion of macro ‘SWIG_fail’
38786 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_MapsTo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38813:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38813 |   if (!SWIG_Python_UnpackTuple(args, "MapsTo", 3, 3, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38813:76: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38813 |   if (!SWIG_Python_UnpackTuple(args, "MapsTo", 3, 3, swig_obj)) SWIG_fail; {
      |                                                                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38829:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38829 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38829:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38829 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38863:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38863 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38863:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38863 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38894:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38894 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38894:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38894 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38919:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38919 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38919:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38919 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38925:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38925 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38925:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38925 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_5(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38972:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38972 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:38972:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38972 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_6(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39011 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39011:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39011 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms__SWIG_7(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39032:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39032 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39032:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39032 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindAutomorphisms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39034:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39034 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindAutomorphisms", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39034:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39034 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindAutomorphisms", 0, 5, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39036:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39036 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39036:64: note: in expansion of macro ‘SWIG_fail’
39036 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39038:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39038 |     if (!_v) goto check_2; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39038:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39038 |     if (!_v) goto check_2; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39047:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39047 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39047:64: note: in expansion of macro ‘SWIG_fail’
39047 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_3: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39049:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39049 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39049:64: note: in expansion of macro ‘SWIG_fail’
39049 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39051:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39051 |     if (!_v) goto check_5; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39051:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39051 |     if (!_v) goto check_5; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39061:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39061 |     if (!_v) goto check_6; PyObject *retobj = _wrap_FindAutomorphisms__SWIG_6(self, argc, argv);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39061:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39061 |     if (!_v) goto check_6; PyObject *retobj = _wrap_FindAutomorphisms__SWIG_6(self, argc, argv);
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39062:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39062 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_6: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39062:64: note: in expansion of macro ‘SWIG_fail’
39062 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_6: if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39064:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39064 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39064:64: note: in expansion of macro ‘SWIG_fail’
39064 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39066:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39066 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39066:64: note: in expansion of macro ‘SWIG_fail’
39066 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBQueryAtom__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39102:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39102 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39102:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39102 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBQueryAtom(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39113:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39113 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39113:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39113 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryAtom", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39115:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39115 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39115:64: note: in expansion of macro ‘SWIG_fail’
39115 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39117:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39117:64: note: in expansion of macro ‘SWIG_fail’
39117 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39119:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39119:64: note: in expansion of macro ‘SWIG_fail’
39119 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39121:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39121:64: note: in expansion of macro ‘SWIG_fail’
39121 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQueryAtom_GetBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39145:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39145 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39145:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39145 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQueryAtom_GetNbrs(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39155:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39155 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39155:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39155 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBQueryBond(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39233:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39233 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39233:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39233 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBQueryBond", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39235:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39235 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39235:64: note: in expansion of macro ‘SWIG_fail’
39235 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39237:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39237 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39237:64: note: in expansion of macro ‘SWIG_fail’
39237 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39239:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39239:64: note: in expansion of macro ‘SWIG_fail’
39239 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBQuery(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39304:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39304 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39304:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39304 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQuery_GetAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39328:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39328 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39328:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39328 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBQuery_GetBonds(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39338:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39338 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39338:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39338 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBQuery, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileMoleculeQuery__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39403:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39403 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39403:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39403 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileMoleculeQuery(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39424:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39424 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileMoleculeQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39424:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39424 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileMoleculeQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39426:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39426 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39426:64: note: in expansion of macro ‘SWIG_fail’
39426 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39428:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39428:64: note: in expansion of macro ‘SWIG_fail’
39428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileSmilesQuery__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39447:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39447 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39447:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39447 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileSmilesQuery__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39450:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39450 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39450:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39450 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; { std::string *ptr = (std::string *)0;
      |                                              ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39457:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39457 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39457:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39457 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CompileSmilesQuery(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39459:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39459 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileSmilesQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39459:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39459 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CompileSmilesQuery", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39461:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39461 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39461:64: note: in expansion of macro ‘SWIG_fail’
39461 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39463:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39463 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39463:64: note: in expansion of macro ‘SWIG_fail’
39463 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39499:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39499 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39499:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39499 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39530:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39530 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39530:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39530 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39536:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39536 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39536:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39536 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39558:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39558 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39558:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39558 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels__SWIG_3(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39580:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39580 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39580:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39580 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CanonicalLabels(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39582:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39582 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CanonicalLabels", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39582:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39582 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CanonicalLabels", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39584:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39584:64: note: in expansion of macro ‘SWIG_fail’
39584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39586:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39586 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39586:64: note: in expansion of macro ‘SWIG_fail’
39586 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39588:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39588 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39588:64: note: in expansion of macro ‘SWIG_fail’
39588 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39590:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39590 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39590:64: note: in expansion of macro ‘SWIG_fail’
39590 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_MakeRefs__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39602:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39602 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_long(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39602:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39602 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; ecode1 = SWIG_AsVal_unsigned_SS_long(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_MakeRefs(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39632:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39632 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBStereo_MakeRefs", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39632:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39632 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBStereo_MakeRefs", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39634:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39634 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39634:64: note: in expansion of macro ‘SWIG_fail’
39634 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39636:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39636:64: note: in expansion of macro ‘SWIG_fail’
39636 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_ContainsSameRefs(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39644:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39644 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsSameRefs", 2, 2, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39644:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39644 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsSameRefs", 2, 2, swig_obj)) SWIG_fail; {
      |                                                                                               ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39659:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39659 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39659:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39659 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39660:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39660 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39660:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39660 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_ContainsRef(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39664:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39664 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsRef", 2, 2, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39664:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39664 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_ContainsRef", 2, 2, swig_obj)) SWIG_fail; {
      |                                                                                          ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39675:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39675 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39675:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39675 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_NumInversions(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39678:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39678 |   if (!args) SWIG_fail; swig_obj[0] = args; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39678:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39678 |   if (!args) SWIG_fail; swig_obj[0] = args; {
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39687:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39687 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39687:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39687 |   if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBStereo_Permutated(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39706:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39706 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_Permutated", 3, 3, swig_obj)) SWIG_fail; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39706:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39706 |   if (!SWIG_Python_UnpackTuple(args, "OBStereo_Permutated", 3, 3, swig_obj)) SWIG_fail; {
      |                                                                                         ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39719:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39719 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39719:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39719 |   if (SWIG_IsNewObj(res1)) delete arg1; return resultobj; fail: if (SWIG_IsNewObj(res1)) delete arg1; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBStereo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39727:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39727:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39727 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoUnit__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39751:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39751 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39751:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39751 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoUnit__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39764:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39764 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39764:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39764 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_int(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoUnit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39773:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39773 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoUnit", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39773:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39773 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoUnit", 0, 3, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39775:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39775 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39775:64: note: in expansion of macro ‘SWIG_fail’
39775 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39777:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39777 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39777:64: note: in expansion of macro ‘SWIG_fail’
39777 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39779:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39779 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39779:64: note: in expansion of macro ‘SWIG_fail’
39779 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStereoFacade(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39928:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39928 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoFacade", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39928:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39928 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBStereoFacade", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39930:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39930 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39930:64: note: in expansion of macro ‘SWIG_fail’
39930 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39932:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39932 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:39932:64: note: in expansion of macro ‘SWIG_fail’
39932 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_PerceiveStereo__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40083:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40083 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40083:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40083 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_PerceiveStereo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40089:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40089 |   if (!(argc = SWIG_Python_UnpackTuple(args, "PerceiveStereo", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40089:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40089 |   if (!(argc = SWIG_Python_UnpackTuple(args, "PerceiveStereo", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40091:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40091:64: note: in expansion of macro ‘SWIG_fail’
40091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40093:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40093 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40093:64: note: in expansion of macro ‘SWIG_fail’
40093 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom2D__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40101:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40101 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40101:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40101 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom2D__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40129:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40129 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40129:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40129 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40135:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40135:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40135 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40138:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40138 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40138:64: note: in expansion of macro ‘SWIG_fail’
40138 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom3D__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40157:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40157 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40157:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40157 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom3D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40163:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40163 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom3D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40163:87: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40163 |   if (!(argc = SWIG_Python_UnpackTuple(args, "StereoFrom3D", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40166:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40166 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40166:64: note: in expansion of macro ‘SWIG_fail’
40166 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_StereoFrom0D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40172:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40172 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40172:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40172 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_TetrahedralFrom3D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40215:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40215 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40215:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40215 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40217:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40217 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40217:64: note: in expansion of macro ‘SWIG_fail’
40217 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40219:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40219:64: note: in expansion of macro ‘SWIG_fail’
40219 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_TetrahedralFrom2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40262:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40262 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40262:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40262 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom2D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40264:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40264 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40264:64: note: in expansion of macro ‘SWIG_fail’
40264 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40266:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40266:64: note: in expansion of macro ‘SWIG_fail’
40266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_TetrahedralFrom0D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40309:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40309 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40309:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40309 |   if (!(argc = SWIG_Python_UnpackTuple(args, "TetrahedralFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40311:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40311 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40311:64: note: in expansion of macro ‘SWIG_fail’
40311 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40313:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40313 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40313:64: note: in expansion of macro ‘SWIG_fail’
40313 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CisTransFrom3D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40356:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40356 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40356:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40356 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom3D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40358:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40358 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40358:64: note: in expansion of macro ‘SWIG_fail’
40358 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40360:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40360 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40360:64: note: in expansion of macro ‘SWIG_fail’
40360 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CisTransFrom2D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40433:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40433 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom2D", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40433:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40433 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom2D", 0, 4, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40435:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40435 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40435:64: note: in expansion of macro ‘SWIG_fail’
40435 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40437:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40437 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40437:64: note: in expansion of macro ‘SWIG_fail’
40437 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40439:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40439 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40439:64: note: in expansion of macro ‘SWIG_fail’
40439 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_CisTransFrom0D(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40549:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40549 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40549:89: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40549 |   if (!(argc = SWIG_Python_UnpackTuple(args, "CisTransFrom0D", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40551:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40551:64: note: in expansion of macro ‘SWIG_fail’
40551 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40553:64: note: in expansion of macro ‘SWIG_fail’
40553 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindStereogenicUnits__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40563:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40563 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40563:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40563 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40575:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40575 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40575:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40575 |   if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail: if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindStereogenicUnits__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40581:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40581 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40581:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40581 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBMol, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40599:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40599 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40599:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40599 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40600:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40600 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40600:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40600 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_FindStereogenicUnits(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40602:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40602 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindStereogenicUnits", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40602:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40602 |   if (!(argc = SWIG_Python_UnpackTuple(args, "FindStereogenicUnits", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40604:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40604 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40604:64: note: in expansion of macro ‘SWIG_fail’
40604 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40606:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40606 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40606:64: note: in expansion of macro ‘SWIG_fail’
40606 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBRotorRule(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40632:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40632 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40632:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40632 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return resultobj; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return NULL; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBRotor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40797:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40797 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40797:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40797 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetRings(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40815:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40815 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40815:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40815 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetDihedralAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40856:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40856 |      if (!_v) goto check_1; return _wrap_OBRotor_SetDihedralAtoms__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40856:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40856 |      if (!_v) goto check_1; return _wrap_OBRotor_SetDihedralAtoms__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40858:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40858 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40858:64: note: in expansion of macro ‘SWIG_fail’
40858 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetRotor__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40932:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40932 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40932:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40932 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_SetRotor(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40943:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40943 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_SetRotor", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40943:91: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40943 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_SetRotor", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40945:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40945 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40945:64: note: in expansion of macro ‘SWIG_fail’
40945 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40947:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40947 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40947:64: note: in expansion of macro ‘SWIG_fail’
40947 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40955:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40955 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40955:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40955 |   if ((nobjs < 6) || (nobjs > 6)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40985:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40985 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:40985:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40985 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set__SWIG_2(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41011:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41011 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41011:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41011 |   if ((nobjs < 4) || (nobjs > 4)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBRotor, 0 |  0 );
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_Set(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41024:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41024 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_Set", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41024:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41024 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotor_Set", 0, 6, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41027:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41027 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41027:64: note: in expansion of macro ‘SWIG_fail’
41027 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotor_GetDihedralAtoms(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41077:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41077 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41077:64: note: in expansion of macro ‘SWIG_fail’
41077 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41079:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41079 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41079:64: note: in expansion of macro ‘SWIG_fail’
41079 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41339:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41339 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41339:92: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41339 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_Setup", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41341:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41341:64: note: in expansion of macro ‘SWIG_fail’
41341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41343:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41343 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41343:64: note: in expansion of macro ‘SWIG_fail’
41343 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_FindRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41422:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41422 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_FindRotors", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41422:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41422 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotorList_FindRotors", 0, 3, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41424:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41424 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41424:64: note: in expansion of macro ‘SWIG_fail’
41424 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41426:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41426 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41426:64: note: in expansion of macro ‘SWIG_fail’
41426 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_BeginRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41489:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41489 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41489:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41489 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotorList_EndRotors(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41498:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41498 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41498:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41498 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_rotor_digit(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41582:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41582 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_rotor_digit", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41582:90: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41582 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_rotor_digit", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41584:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41584:64: note: in expansion of macro ‘SWIG_fail’
41584 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41586:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41586 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41586:64: note: in expansion of macro ‘SWIG_fail’
41586 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41765:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41765 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_Setup", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41765:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41765 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_Setup", 0, 4, argv))) SWIG_fail; --argc; if (argc == 3) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41767:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41767:64: note: in expansion of macro ‘SWIG_fail’
41767 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41769:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41769 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41769:64: note: in expansion of macro ‘SWIG_fail’
41769 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_AddRotamer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41835:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41835 |     if (!_v) goto check_1; return _wrap_OBRotamerList_AddRotamer__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41835:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41835 |     if (!_v) goto check_1; return _wrap_OBRotamerList_AddRotamer__SWIG_0(self, argc, argv);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41837:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41837 |     if (!_v) goto check_2; return _wrap_OBRotamerList_AddRotamer__SWIG_1(self, argc, argv);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41837:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41837 |     if (!_v) goto check_2; return _wrap_OBRotamerList_AddRotamer__SWIG_1(self, argc, argv);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41841:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41841 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41841:64: note: in expansion of macro ‘SWIG_fail’
41841 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_BeginRotamer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41874:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41874 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41874:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41874 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_EndRotamer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41883:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41883 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41883:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41883 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBRotamerList_SetBaseCoordinateSets(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41977:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41977 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_SetBaseCoordinateSets", 0, 3, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41977:110: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41977 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBRotamerList_SetBaseCoordinateSets", 0, 3, argv))) SWIG_fail; --argc;
      |                                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41979:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41979 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41979:64: note: in expansion of macro ‘SWIG_fail’
41979 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41981:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41981 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:41981:64: note: in expansion of macro ‘SWIG_fail’
41981 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBSpectrophore(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42042:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42042 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSpectrophore", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42042:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42042 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBSpectrophore", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42044:64: note: in expansion of macro ‘SWIG_fail’
42044 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42046:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42046:64: note: in expansion of macro ‘SWIG_fail’
42046 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetResolution(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42078:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42078 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42078:64: note: in expansion of macro ‘SWIG_fail’
42078 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42080:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42080:64: note: in expansion of macro ‘SWIG_fail’
42080 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetAccuracy(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42105:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42105:64: note: in expansion of macro ‘SWIG_fail’
42105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42107:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42107:64: note: in expansion of macro ‘SWIG_fail’
42107 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetStereo(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42133:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42133 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42133:64: note: in expansion of macro ‘SWIG_fail’
42133 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42135:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42135 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42135:64: note: in expansion of macro ‘SWIG_fail’
42135 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSpectrophore_SetNormalization(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42160 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSpectrophore_SetNormalization", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42160:106: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42160 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSpectrophore_SetNormalization", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                          ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42162:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42162 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42162:64: note: in expansion of macro ‘SWIG_fail’
42162 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42164:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42164 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42164:64: note: in expansion of macro ‘SWIG_fail’
42164 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerFilter_IsGood(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42248:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42248 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42248:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42248 |   if (SWIG_IsNewObj(res3)) delete arg3; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStericConformerFilter__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42306:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42306 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42306:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42306 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; ecode1 = SWIG_AsVal_double(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBStericConformerFilter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42339:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42339 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42339:64: note: in expansion of macro ‘SWIG_fail’
42339 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42341:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42341:64: note: in expansion of macro ‘SWIG_fail’
42341 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42343:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42343 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42343:64: note: in expansion of macro ‘SWIG_fail’
42343 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42345:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42345 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42345:64: note: in expansion of macro ‘SWIG_fail’
42345 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerScore_Score(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42417:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42417 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42417:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42417 |   if (SWIG_IsNewObj(res4)) delete arg4; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerSearch_Setup(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42669:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_Setup", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42669:98: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42669 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_Setup", 0, 6, argv))) SWIG_fail; --argc; if (argc == 2) {
      |                                                                                                  ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42671:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42671 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42671:64: note: in expansion of macro ‘SWIG_fail’
42671 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42673:64: note: in expansion of macro ‘SWIG_fail’
42673 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42675:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42675 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42675:64: note: in expansion of macro ‘SWIG_fail’
42675 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 5) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42677:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42677 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42677:64: note: in expansion of macro ‘SWIG_fail’
42677 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 6) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42679:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42679 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42679:64: note: in expansion of macro ‘SWIG_fail’
42679 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerSearch_SetSharing(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42838:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42838 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42838:64: note: in expansion of macro ‘SWIG_fail’
42838 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42840:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42840 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42840:64: note: in expansion of macro ‘SWIG_fail’
42840 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBConformerSearch_SetLocalOptRate(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42971:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42971 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_SetLocalOptRate", 0, 2, argv))) SWIG_fail; --argc;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42971:108: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42971 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBConformerSearch_SetLocalOptRate", 0, 2, argv))) SWIG_fail; --argc;
      |                                                                                                            ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42973:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42973 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42973:64: note: in expansion of macro ‘SWIG_fail’
42973 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42975:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42975:64: note: in expansion of macro ‘SWIG_fail’
42975 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_0(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42992:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42992 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:42992:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42992 |   if ((nobjs < 2) || (nobjs > 2)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_1(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43001:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43001 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43001:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43001 |   if ((nobjs < 1) || (nobjs > 1)) SWIG_fail; ecode1 = SWIG_AsVal_bool(swig_obj[0], &val1); if (!SWIG_IsOK(ecode1)) {
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_4(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43035:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43035 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43035:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43035 |   if ((nobjs < 3) || (nobjs > 3)) SWIG_fail; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1, SWIGTYPE_p_OpenBabel__OBMol,  0  | 0);
      |                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign__SWIG_6(PyObject*, Py_ssize_t, PyObject**)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43085:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43085 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43085:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43085 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return resultobj; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43086:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43086 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43086:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43086 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBAlign(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43088:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43088 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAlign", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43088:86: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43088 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBAlign", 0, 4, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43091:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43091:64: note: in expansion of macro ‘SWIG_fail’
43091 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43093:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43093 |     if (!_v) goto check_3; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__OBMol, SWIG_POINTER_NO_NULL | 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43093:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43093 |     if (!_v) goto check_3; { int res = SWIG_ConvertPtr(argv[1], 0, SWIGTYPE_p_OpenBabel__OBMol, SWIG_POINTER_NO_NULL | 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43096:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43096 |     if (!_v) goto check_4; { { int res = SWIG_AsVal_bool(argv[1], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_4;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43096:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43096 |     if (!_v) goto check_4; { { int res = SWIG_AsVal_bool(argv[1], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_4;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43100:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43100 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43100:64: note: in expansion of macro ‘SWIG_fail’
43100 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAlign_SetRef(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43126:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43126 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43126:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43126 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBAlign_SetTarget(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43142:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43142 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43142:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43142 |   if (SWIG_IsNewObj(res2)) delete arg2; return NULL; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_OBAlign(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43224:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43224 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43224:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43224 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAtomIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43266:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43266 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43266:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43266 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43268:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43268 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43268:64: note: in expansion of macro ‘SWIG_fail’
43268 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43270:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43270 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43270:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43270 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43272:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43272:64: note: in expansion of macro ‘SWIG_fail’
43272 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolAtomIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43314:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43314 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43314:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43314 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43316:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43316 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43316:64: note: in expansion of macro ‘SWIG_fail’
43316 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43318:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43318 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43318:64: note: in expansion of macro ‘SWIG_fail’
43318 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAtomDFSIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43379:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43379 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomDFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43379:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43379 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomDFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43381:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43381:64: note: in expansion of macro ‘SWIG_fail’
43381 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43383:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43383 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomDFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43383:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43383 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomDFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43385:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43385 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43385:64: note: in expansion of macro ‘SWIG_fail’
43385 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43387:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43387 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43387:64: note: in expansion of macro ‘SWIG_fail’
43387 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolAtomDFSIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43431:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43431 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomDFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43431:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43431 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomDFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43433:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43433 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43433:64: note: in expansion of macro ‘SWIG_fail’
43433 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43435:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43435 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43435:64: note: in expansion of macro ‘SWIG_fail’
43435 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAtomBFSIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43504:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43504 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43504:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43504 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAtomBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43506:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43506 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43506:64: note: in expansion of macro ‘SWIG_fail’
43506 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43508:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43508 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43508:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43508 |     if (!_v) goto check_2; return _wrap_new__OBMolAtomBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43510:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43510:64: note: in expansion of macro ‘SWIG_fail’
43510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43512:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43512 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43512:64: note: in expansion of macro ‘SWIG_fail’
43512 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolAtomBFSIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43556:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43556 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43556:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43556 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolAtomBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43558:64: note: in expansion of macro ‘SWIG_fail’
43558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43560:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43560 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43560:64: note: in expansion of macro ‘SWIG_fail’
43560 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new_OBMolBondBFSIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43629:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43629 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMolBondBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43629:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43629 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new_OBMolBondBFSIter", 0, 2, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43631:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43631 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43631:64: note: in expansion of macro ‘SWIG_fail’
43631 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43633:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43633 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43633:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43633 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43635:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43635 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43635:64: note: in expansion of macro ‘SWIG_fail’
43635 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43637:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43637:64: note: in expansion of macro ‘SWIG_fail’
43637 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBMolBondBFSIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43681:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43681 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMolBondBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43681:95: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43681 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBMolBondBFSIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43683:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43683 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43683:64: note: in expansion of macro ‘SWIG_fail’
43683 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43685:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43685 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43685:64: note: in expansion of macro ‘SWIG_fail’
43685 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolBondIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43744:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43744 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43744:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43744 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43746:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43746 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43746:64: note: in expansion of macro ‘SWIG_fail’
43746 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43748:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43748 |     if (!_v) goto check_2; return _wrap_new__OBMolBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43748:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43748 |     if (!_v) goto check_2; return _wrap_new__OBMolBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43750:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43750:64: note: in expansion of macro ‘SWIG_fail’
43750 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolBondIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43792:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43792 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43792:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43792 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43794:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43794:64: note: in expansion of macro ‘SWIG_fail’
43794 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43796:64: note: in expansion of macro ‘SWIG_fail’
43796 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBAtomAtomIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43847:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43847 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43847:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43847 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43849:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43849 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43849:64: note: in expansion of macro ‘SWIG_fail’
43849 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43851:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43851 |     if (!_v) goto check_2; return _wrap_new__OBAtomAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43851:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43851 |     if (!_v) goto check_2; return _wrap_new__OBAtomAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43853:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43853 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43853:64: note: in expansion of macro ‘SWIG_fail’
43853 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBAtomAtomIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43895:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43895 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43895:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43895 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43897:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43897 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43897:64: note: in expansion of macro ‘SWIG_fail’
43897 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43899:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43899 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43899:64: note: in expansion of macro ‘SWIG_fail’
43899 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBAtomBondIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43950:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43950 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43950:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43950 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBAtomBondIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43952:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43952 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43952:64: note: in expansion of macro ‘SWIG_fail’
43952 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43954:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43954 |     if (!_v) goto check_2; return _wrap_new__OBAtomBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43954:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43954 |     if (!_v) goto check_2; return _wrap_new__OBAtomBondIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43956:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43956 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43956:64: note: in expansion of macro ‘SWIG_fail’
43956 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBAtomBondIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43998:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43998 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:43998:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43998 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBAtomBondIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44000:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44000 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44000:64: note: in expansion of macro ‘SWIG_fail’
44000 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44002:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44002 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44002:64: note: in expansion of macro ‘SWIG_fail’
44002 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBResidueIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44053:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44053 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44053:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44053 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44055:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44055 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44055:64: note: in expansion of macro ‘SWIG_fail’
44055 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44057:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44057 |     if (!_v) goto check_2; return _wrap_new__OBResidueIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44057:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44057 |     if (!_v) goto check_2; return _wrap_new__OBResidueIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44059:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44059:64: note: in expansion of macro ‘SWIG_fail’
44059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBResidueIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44101:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44101 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44101:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44101 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44103:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44103 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44103:64: note: in expansion of macro ‘SWIG_fail’
44103 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44105:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44105:64: note: in expansion of macro ‘SWIG_fail’
44105 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBResidueAtomIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44156:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44156 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44156:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44156 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBResidueAtomIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44158:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44158 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44158:64: note: in expansion of macro ‘SWIG_fail’
44158 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44160:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44160 |     if (!_v) goto check_2; return _wrap_new__OBResidueAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44160:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44160 |     if (!_v) goto check_2; return _wrap_new__OBResidueAtomIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44162:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44162 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44162:64: note: in expansion of macro ‘SWIG_fail’
44162 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBResidueAtomIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44205:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44205 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44205:97: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44205 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBResidueAtomIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                 ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44207:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44207 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44207:64: note: in expansion of macro ‘SWIG_fail’
44207 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44209:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44209 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44209:64: note: in expansion of macro ‘SWIG_fail’
44209 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolAngleIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44260:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44260 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAngleIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44260:94: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44260 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolAngleIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                              ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44262:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44262 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44262:64: note: in expansion of macro ‘SWIG_fail’
44262 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44264:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44264 |     if (!_v) goto check_2; return _wrap_new__OBMolAngleIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44264:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44264 |     if (!_v) goto check_2; return _wrap_new__OBMolAngleIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44266:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44266:64: note: in expansion of macro ‘SWIG_fail’
44266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolTorsionIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44342:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44342 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolTorsionIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44342:96: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44342 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolTorsionIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                                ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44344:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44344 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44344:64: note: in expansion of macro ‘SWIG_fail’
44344 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44346:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44346 |     if (!_v) goto check_2; return _wrap_new__OBMolTorsionIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44346:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44346 |     if (!_v) goto check_2; return _wrap_new__OBMolTorsionIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44348:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44348 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44348:64: note: in expansion of macro ‘SWIG_fail’
44348 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolPairIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44426:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44426 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolPairIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44426:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44426 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolPairIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44428:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44428:64: note: in expansion of macro ‘SWIG_fail’
44428 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44430:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44430 |     if (!_v) goto check_2; return _wrap_new__OBMolPairIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44430:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44430 |     if (!_v) goto check_2; return _wrap_new__OBMolPairIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44432:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44432 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44432:64: note: in expansion of macro ‘SWIG_fail’
44432 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_new__OBMolRingIter(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44508:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44508 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolRingIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44508:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44508 |   if (!(argc = SWIG_Python_UnpackTuple(args, "new__OBMolRingIter", 0, 1, argv))) SWIG_fail; --argc; if (argc == 0) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44510:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44510:64: note: in expansion of macro ‘SWIG_fail’
44510 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 1) { int _v = 0; { void *vptr = 0;
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44512:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44512 |     if (!_v) goto check_2; return _wrap_new__OBMolRingIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44512:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44512 |     if (!_v) goto check_2; return _wrap_new__OBMolRingIter__SWIG_1(self, argc, argv);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44514:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44514 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44514:64: note: in expansion of macro ‘SWIG_fail’
44514 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap__OBMolRingIter_inc(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44556:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44556 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolRingIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44556:93: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44556 |   if (!(argc = SWIG_Python_UnpackTuple(args, "_OBMolRingIter_inc", 0, 2, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44558:64: note: in expansion of macro ‘SWIG_fail’
44558 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44560:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44560 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44560:64: note: in expansion of macro ‘SWIG_fail’
44560 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_delete_doubleArray(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44594:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44594 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44594:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44594 |   if (!args) SWIG_fail; swig_obj[0] = args;
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_doubleArray_frompointer(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44630:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44630 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44630:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44630 |   if (!args) SWIG_fail; swig_obj[0] = args; res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_double, 0 |  0 );
      |                         ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBTetrahedralStereo_GetConfig(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44835:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44835 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTetrahedralStereo_GetConfig", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44835:104: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44835 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBTetrahedralStereo_GetConfig", 0, 4, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44837:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44837 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44837:64: note: in expansion of macro ‘SWIG_fail’
44837 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44841:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44841 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44841:64: note: in expansion of macro ‘SWIG_fail’
44841 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44844:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_4: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44844:64: note: in expansion of macro ‘SWIG_fail’
44844 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  check_4: if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44846:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44846 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44846:64: note: in expansion of macro ‘SWIG_fail’
44846 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 4) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44848:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44848 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:44848:64: note: in expansion of macro ‘SWIG_fail’
44848 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBCisTransStereo_GetConfig(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45059:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45059 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45059:64: note: in expansion of macro ‘SWIG_fail’
45059 |     if (!SWIG_Pytmake[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
hon_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45063:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45063 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45063:64: note: in expansion of macro ‘SWIG_fail’
45063 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45065:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45065 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45065:64: note: in expansion of macro ‘SWIG_fail’
45065 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘PyObject* _wrap_OBSquarePlanarStereo_GetConfig(PyObject*, PyObject*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45260:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45260 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSquarePlanarStereo_GetConfig", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45260:105: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45260 |   if (!(argc = SWIG_Python_UnpackTuple(args, "OBSquarePlanarStereo_GetConfig", 0, 3, argv))) SWIG_fail; --argc; if (argc == 1) {
      |                                                                                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45262:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45262 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45262:64: note: in expansion of macro ‘SWIG_fail’
45262 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 2) { int _v = 0; { {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45266:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45266:64: note: in expansion of macro ‘SWIG_fail’
45266 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  if (argc == 3) {
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45268:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45268 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:1207:57: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 1207 | #define SWIG_fail                                       goto fail
      |                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:45268:64: note: in expansion of macro ‘SWIG_fail’
45268 |     if (!SWIG_Python_TypeErrorOccurred(retobj)) return retobj; SWIG_fail;}  fail:
      |                                                                ^~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp: In function ‘void* _p_OpenBabel__CharPtrLessTo_p_std__binary_functionT_char_const_p_char_const_p_bool_t(void*, int*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/openbabel-python.cpp:50851:27: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
50851 |     return (void *)((std::binary_function< char const *,char const *,bool > *)  ((OpenBabel::CharPtrLess *) x));
      |                           ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 99%] Linking CXX shared module /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/_openbabel.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/cmake -E cmake_link_script CMakeFiles/bindings_python.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/bindings_python.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python/openbabel/_openbabel.so "CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o"  -lpython3.13 ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 99%] Built target bindings_python
make[1]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_ruby.dir/build.make scripts/CMakeFiles/bindings_ruby.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 99%] Generating /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/swig -ruby -c++ -small -O -templatereduce -naturalvar -autorename -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -o /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.txt /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/openbabel-ruby.i
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && sed -e 's/rb_define_module("Openbabel")/rb_define_module("OpenBabel")/' -e's/void Init_OpenBabel/void Init_openbabel/' </builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.txt >/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/cmake -E remove /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.txt
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored)
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/isomorphism.h:160: Warning 325: Nested class not currently supported (Functor ignored)
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts/CMakeFiles/bindings_ruby.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f scripts/CMakeFiles/bindings_ruby.dir/build.make scripts/CMakeFiles/bindings_ruby.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 99%] Building CXX object scripts/CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbindings_perl_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/python3.13 -I/usr/lib64/perl5/CORE -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT scripts/CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o -MF CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o.d -o CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1794:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1795:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:74:12: note:   by ‘double OpenBabel::OBGridData::GetValue(int, int, int) const’
   74 |     double GetValue(int i, int j, int k) const;
      |            ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1805:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/stdexcept:41,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:1768:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorInt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2798:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2798 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2798:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2798 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorUnsignedInt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2899:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2899 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2899:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2899 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2903:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2903 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2903:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2903 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2905:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 2905 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:2905:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 2905 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorVInt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3016:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3016 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3016:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3016 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3020:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3020 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3020:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3020 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3237:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3237 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3237:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3237 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3241:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3241 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3241:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3241 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3243:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3243 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3243:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3243 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorVector3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3352:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3352 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3352:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3352 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3356:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3356 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3356:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3356 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3358:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3358 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3358:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3358 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBMol(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3471:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3471 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3471:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3471 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3475:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3475 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3475:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3475 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3477:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3477 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3477:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3477 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3590:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3590 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3590:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3590 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3594:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3594 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3594:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3594 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3596:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3596 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3596:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3596 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBResidue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3709:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3709 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3709:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3709 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3713:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3713 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3713:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3713 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorOBRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3829:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3829 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3829:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3829 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3833:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3833 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3833 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3835:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3835 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3835:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3835 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_VectorpOBRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3954:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 3954 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:3954:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 3954 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGlobalDataBase_SetReadDirectory(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4336:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4336 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:785:
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4336:47: note: in expansion of macro ‘XSRETURN’
 4336 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGlobalDataBase_SetEnvironmentVariable(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4347:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4347 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4347:47: note: in expansion of macro ‘XSRETURN’
 4347 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGlobalDataBase_ParseLine(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4358:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4358 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4358:47: note: in expansion of macro ‘XSRETURN’
 4358 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_SetFromType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4522:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4522 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4522:47: note: in expansion of macro ‘XSRETURN’
 4522 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_SetToType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4534:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4534 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4534:47: note: in expansion of macro ‘XSRETURN’
 4534 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4549:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4549 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4549:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4549 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4550:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4550 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4550:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4550 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4569:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4569 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4569:43: note: in expansion of macro ‘XSRETURN’
 4569 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4582:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4582 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4582:43: note: in expansion of macro ‘XSRETURN’
 4582 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTypeTable_Translate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4586:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4586 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4586:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4586 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4588:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4588 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4588:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4588 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4592:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4592:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4594:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4594 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4594:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4594 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4596:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4596 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4596:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4596 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4600:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4600 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4600:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4600 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_SetResName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4641:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4641 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4641:43: note: in expansion of macro ‘XSRETURN’
 4641 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupBO__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4654:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4654 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4654:43: note: in expansion of macro ‘XSRETURN’
 4654 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupBO__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4673 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4673:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4673 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4674:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4674 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4674:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4674 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupBO(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4678:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4678 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4678:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4678 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4680:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4680 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4680:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4680 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4684:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4684 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4684:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4684 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4686:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4686 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4686:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4686 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4688:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4688 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4688:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4688 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueData_LookupType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4715:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4715 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4715:43: note: in expansion of macro ‘XSRETURN’
 4715 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_vector3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4910:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4910 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4910:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4910 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_begin(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4969:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4969:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4973:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4973 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4973:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4973 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_end(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4990:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4990 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4990:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4990 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4994:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 4994 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:4994:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 4994 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_Set(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5029:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5029 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5029:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5029 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5035:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5035 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5035:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5035 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_add(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5153:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5153 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5153:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5153 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5155:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5155 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5155:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5155 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5159:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5159 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5159 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_x(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5233:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5233 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5233:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5233 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5237:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5237 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5237:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5237 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_y(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5252:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5252:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5256:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5256:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_vector3_z(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5271:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5271 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5271:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5271 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5275:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5275 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5275:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5275 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_matrix3x3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5685:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5685 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5685:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5685 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5687:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5687 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5687:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5687 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5689:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5689 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5689:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5689 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_matrix3x3___call__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5741:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5741 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5741 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5748 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5748 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap___mul__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5997:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 5997 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:5997:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 5997 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6017:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6017 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6017:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6017 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBBitVec(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6088:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6088 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6088:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6088 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBitVec_FirstBit(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6173:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6173 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6173:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6173 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6177:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6177 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6177:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6177 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6179:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6179 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6179:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6179 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBitVec_FromString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6285:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6285 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6285:43: note: in expansion of macro ‘XSRETURN’
 6285 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap___sub__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6414:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6414 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6414:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6414 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6418:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6418 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6418:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6418 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6420:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6420 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6420:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6420 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBGenericData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6570:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6570 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6570:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6570 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6572:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6572 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6572:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6572 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6576:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6576 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6576:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6576 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6578:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6578 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6578:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6578 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGenericData_SetAttribute(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6618:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6618 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6618:43: note: in expansion of macro ‘XSRETURN’
 6618 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6719:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6719:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6723:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6723 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6723:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6723 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6739:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6739 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6739:47: note: in expansion of macro ‘XSRETURN’
 6739 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6753:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6753 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6753:43: note: in expansion of macro ‘XSRETURN’
 6753 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6764:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6764 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6764:47: note: in expansion of macro ‘XSRETURN’
 6764 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6780:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6780 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6780:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6780 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6782:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6782 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6782:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6782 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6786:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6786 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6786:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6786 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6788:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6788 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6788:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6788 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6792:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6792 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6792:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6792 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6846:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6846 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6846:43: note: in expansion of macro ‘XSRETURN’
 6846 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6850:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6850 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6850:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6850 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6852:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6852 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6852:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6852 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6856:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6856 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6856:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6856 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6862:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6862 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6862:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6862 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6864:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6864 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6864:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6864 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6868:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6868 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6868:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6868 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6870:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6870 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6870:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6870 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6917 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6917:43: note: in expansion of macro ‘XSRETURN’
 6917 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6929 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6929:47: note: in expansion of macro ‘XSRETURN’
 6929 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBase_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6972:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6972 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6972:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6972 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6976:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6976:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6978:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6978 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6978:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6978 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6982:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6982 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6982 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6988:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6988 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6988:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6988 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6990:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6990 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6990:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6990 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6994:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 6994 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:6994:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 6994 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBCommentData_SetData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7061:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7061 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7061:43: note: in expansion of macro ‘XSRETURN’
 7061 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBCommentData_SetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7071:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7071 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7071:47: note: in expansion of macro ‘XSRETURN’
 7071 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBCommentData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7076:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7076 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7076:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7076 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7078:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7078 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7078:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7078 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7082:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7082 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7082:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7082 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBExternalBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7145:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7145 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7145:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7145 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7147:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7147 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7147:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7147 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPairData_SetValue__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7272:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7272 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7272:47: note: in expansion of macro ‘XSRETURN’
 7272 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPairData_SetValue__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7285:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7285 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7285:43: note: in expansion of macro ‘XSRETURN’
 7285 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPairData_SetValue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7289:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7289 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7289:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7289 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7291:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7291 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7291:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7291 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7295:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7295 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7295:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7295 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSetData_GetData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7345:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7345 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7345:47: note: in expansion of macro ‘XSRETURN’
 7345 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSetData_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7359 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7359:43: note: in expansion of macro ‘XSRETURN’
 7359 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSetData_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7372:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7372 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7372:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7372 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7376:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7376 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7376:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7376 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7378:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7378 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7378:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7378 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7382:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7382 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7382:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7382 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBVirtualBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7468:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7468 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7468:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7468 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7470:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7470 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7470:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7470 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7474:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7474 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7474:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7474 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7476:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7476 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7476:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7476 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7478:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7478 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7478:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7478 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7732:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7732 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7732:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7732 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7738:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7738:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7740:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7740 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7740:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7740 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7742:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7742 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7742:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7742 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7744:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7744 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7744:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7744 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7748 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7748 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_SetSpaceGroup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7812:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7812 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7812:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7812 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7814 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7814 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7818:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7818 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7818:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7818 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7824:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7824 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7824:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7824 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7826:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7826 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7826:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7826 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetA(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7872:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7872:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7876:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7876:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetB(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7900:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7900 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7900:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7900 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7904:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7904 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7904:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7904 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetC(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7928:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7928 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7928:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7928 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7932:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7932 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7932:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7932 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetAlpha(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7957:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7957 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7957:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7957 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7961:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7961 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7961:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7961 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetBeta(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7986:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7986 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7986:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7986 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7990:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 7990 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:7990:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 7990 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetGamma(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8015:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8015:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8019:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8019 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8019:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8019 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetOffset(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8043:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8043 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8043:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8043 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8047:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8047:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetSpaceGroup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8072:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8072 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8072:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8072 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8076:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8076 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8076:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8076 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetSpaceGroupName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8101:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8101 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8101:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8101 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8105:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8105 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8105:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8105 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetLatticeType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8154:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8154 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8154:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8154 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8158:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8158 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8158:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8158 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8162:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8162 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8162:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8162 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8168:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8168 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8168:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8168 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetCellVectors(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8201:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8201 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8201:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8201 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8205:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8205 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8205:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8205 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetCellMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8229:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8229 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8229:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8229 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8233:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8233 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8233:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8233 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetOrthoMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8258:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8258 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8258:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8258 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8262:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8262 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8262:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8262 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetOrientationMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8287:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8287 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8287:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8287 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8291:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8291 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8291:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8291 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetFractionalMatrix(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8316 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8316 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8320:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8320:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_FractionalToCartesian(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8358:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8358 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8358:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8358 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8360:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8360 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8360:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8360 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8364:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8364 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8364:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8364 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8366:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8366 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8366:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8366 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_CartesianToFractional(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8404 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8404 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8406:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8406 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8406:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8406 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8410:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8410 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8410:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8410 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8412:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8412 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8412:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8412 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_WrapCartesianCoordinate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8450:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8450 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8450:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8450 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8452:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8452 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8452:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8452 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8456:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8456 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8456:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8456 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8458:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8458 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8458:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8458 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_WrapFractionalCoordinate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8496:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8496 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8496:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8496 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8498:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8498 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8498:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8498 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8502:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8502 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8502:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8502 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8504:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8504 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8504:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8504 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_UnwrapCartesianNear(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8552:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8552 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8552:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8552 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8554:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8554 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8554:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8554 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8556:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8556 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8556:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8556 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8560:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8560 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8560:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8560 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8562:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8562 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8562:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8562 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8564:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8564 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8564:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8564 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_UnwrapFractionalNear(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8612:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8612 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8612:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8612 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8614:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8614 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8614:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8614 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8616:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8616 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8616:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8616 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8620:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8620:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8622:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8622 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8622:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8622 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8624:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8624 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8624:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8624 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_MinimumImageCartesian(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8662:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8662 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8662:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8662 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8664:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8664 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8664:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8664 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8668:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8668 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8668:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8668 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8670:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8670 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8670:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8670 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_MinimumImageFractional(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8708:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8708 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8708:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8708 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8710:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8710 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8710:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8710 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8714:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8714 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8714:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8714 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8716:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8716 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8716:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8716 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetSpaceGroupNumber(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8764:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8764:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8768:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8768 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8768:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8768 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8772:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8772 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8772:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8772 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8774:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8774 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8774:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8774 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8778:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8778 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8778:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8778 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8780:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8780 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8780:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8780 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBUnitCell_GetCellVolume(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8807:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8807:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8811:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 8811 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:8811:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 8811 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSymmetryData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9039:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9039 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9039:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9039 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9041:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9041 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9041:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9041 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9045:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9045 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9045:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9045 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9047:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9047:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9047 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9049:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9049 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9049:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9049 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTorsion_AddTorsion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9170:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9170 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9170:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9170 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9176:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9176 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9176:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9176 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9178:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9178 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9178:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9178 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9180:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9180 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9180:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9180 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9182:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9182 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9182:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9182 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9184:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9184 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9184:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9184 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTorsion_SetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9218:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9218 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9218:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9218 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9224:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9224 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9224:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9224 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9228:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9228 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9228:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9228 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBTorsion_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9278:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9278 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9278:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9278 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9280:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9280 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9280:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9280 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9284:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9284 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9284:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9284 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9286:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9286 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9286:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9286 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9288:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9288:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9402:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9402 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9402:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9402 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAngle_SetAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9484:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9484:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9490:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9490 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9490:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9490 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9492:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9492 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9492:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9492 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9494:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9494 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9494:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9494 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9496:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9496 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9496:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9496 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAngleData_FillAngleArray(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9542:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9542 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9542:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9542 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9548:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9548 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9548:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9548 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9552:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9552 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9552:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9552 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBVibrationData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9723:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9723 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9723:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9723 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9734:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9734 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9734:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9734 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9738:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9738:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9749:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9749 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< double >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9749:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9749 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< double >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOrbital_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9929:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9929 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9929:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9929 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9935:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9935 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9935:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9935 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9943:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9943 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9943:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9943 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9949:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9949 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:9949:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9949 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOrbitalData_SetHOMO(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10052:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10052:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10058:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10058:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBVectorData_SetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10440:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10440 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10440:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10440 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10442:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10442 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10442:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10442 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10446:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10446 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10446:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10446 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetAxes(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10823:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10823 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10823:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10823 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10833:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10833 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10833 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10835:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10835 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10835:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10835 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10837:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10837 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10837:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10837 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10839:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10839 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10839:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10839 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetNumberOfPoints(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10879:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10879 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10879:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10879 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10883:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10883:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10885:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10885 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10885:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10885 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10887:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10887 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10887:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10887 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10889:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10889 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10889:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10889 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetValue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10946:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10946 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10946:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10946 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10948:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10948 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10948:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10948 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10952 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:10952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10952 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_GetOriginVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11011:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11011 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11011:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11011 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11015:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11015 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11015:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11015 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBGridData_SetLimits(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11118:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11118:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11120:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11120 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11120:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11120 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11122:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11122 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11122:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11122 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11124:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11124 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11124:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11124 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11126:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11126 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11126:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11126 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11130:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11130 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11130:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11130 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_Dummy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11205:45: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11205 | XS(_wrap_new_Dummy) { { int argvi = 0; std::binary_function< char const *,char const *,bool > *result = 0 ; dXSARGS;
      |                                             ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11207:20: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11207 |     result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                    ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11207:81: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11207 |     result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                                                                                 ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_delete_Dummy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11211:10: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11211 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11211:74: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11211 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *) 0 ;
      |                                                                          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11217:36: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
11217 |      arg1 = reinterpret_cast< std::binary_function< char const *,char const *,bool > * >(argp1); delete arg1;
      |                                    ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_CharPtrLess___call__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11233:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11233 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11233:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11233 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11234:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11234 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11234:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11234 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Display__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11282:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11282 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11282:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11282 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11283:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11283 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11283:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11283 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Display__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11300:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11300 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11300:47: note: in expansion of macro ‘XSRETURN’
11300 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Display(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11305:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11305:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11307:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11307:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11313:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11313 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11313:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11313 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11315:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11315 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11315:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11315 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_GetPlugin(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11356:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11356 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11356:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11356 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11357:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11357 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11357:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11357 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11380:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11380 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11380:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11380 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11381:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11381 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11381:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11381 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_List__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11413:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11413 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11413:47: note: in expansion of macro ‘XSRETURN’
11413 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_List(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11421:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11421 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11421:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11421 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11426:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11426 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11426:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11426 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsString__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11445:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11445 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11445:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11445 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11446:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11446 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11446:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11446 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsString__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11454:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11454 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11454:47: note: in expansion of macro ‘XSRETURN’
11454 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_ListAsString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11462:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11462:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_FirstLine(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11475:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11475 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11475:47: note: in expansion of macro ‘XSRETURN’
11475 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_Begin(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11484:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11484 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11484:47: note: in expansion of macro ‘XSRETURN’
11484 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBPlugin_End(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11493:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11493 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11493:47: note: in expansion of macro ‘XSRETURN’
11493 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11552:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11552 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11552:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11552 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11553 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11553:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11553 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11554:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11554 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11554:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11554 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11555:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11555 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11555:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11555 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11589:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11589 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11589:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11589 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11590:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11590 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11590:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11590 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11591:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11591 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11591:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11591 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11592:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11592 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11592:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11592 |     if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11619 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11619:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11619 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11620:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11620 |     if (SWIG_IsNewObj(res4)) delete arg4; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11620:43: note: in expansion of macro ‘XSRETURN’
11620 |     if (SWIG_IsNewObj(res4)) delete arg4; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11621:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11621 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11621:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11621 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11644:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11644 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11644:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11644 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11646:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11646 |     if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11646:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11646 |     if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_4(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11662:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11662 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11662:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11662 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11663:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11663 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11663:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11663 |     if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError__SWIG_5(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11673:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11673 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11673:43: note: in expansion of macro ‘XSRETURN’
11673 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBError(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11686:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11686 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11686:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11686 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11688:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11688 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11688:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11688 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11692:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11692 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11692:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11692 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11694:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11694 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11694:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11694 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11696:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11696 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11696:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11696 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11700:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11700 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11700:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11700 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11702:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11702 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11702:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11702 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11704:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11704 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11704:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11704 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11706:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11706 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11706:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11706 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11710:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11710 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11710:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11710 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11712:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11712 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11712:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11712 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11714:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11714 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11714:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11714 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11716:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11716 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11716:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11716 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11718:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11718 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11718:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11718 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11722:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11722 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11722:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11722 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11724:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11724 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11724:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11724 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11726:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11726 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11726:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11726 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11728:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11728 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11728:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11728 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11730:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11730 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11730:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11730 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap___lshift__(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11768:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11768 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11768:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11768 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11770:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11770 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11770:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11770 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11774:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11774 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11774:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11774 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11780:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11780 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11780:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11780 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11786:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11786 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11786:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11786 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11788:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11788 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11788:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11788 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11928:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11928 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11928:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11928 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11929:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11929 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11929:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11929 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11950:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11950 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11950:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11950 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11951:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11951 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11951:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11951 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError__SWIG_4(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11969:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11969 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11969:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11969 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail:
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11970:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11970 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11970:43: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11970 |     if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMessageHandler_ThrowError(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11974:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11974 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11974:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11974 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11976:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11976 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11976:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11976 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11980:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11980 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11980:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11980 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11982:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11982 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11982:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11982 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11988:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11988 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11988:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11988 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11990:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11990 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11990:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11990 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11992:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11992 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11992:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11992 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11996:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11996 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11996:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11996 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11998:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11998 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:11998:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11998 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12000:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12000 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12000:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12000 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12006:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12006 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12006:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12006 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12008:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12008 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12008:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12008 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12010:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12010 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12010:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12010 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12194:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12194 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12194:47: note: in expansion of macro ‘XSRETURN’
12194 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_RegisterFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12324:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12324 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12324:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12324 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12325:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12325 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12325:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12325 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_RegisterFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12336:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12336 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12336:47: note: in expansion of macro ‘XSRETURN’
12336 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_RegisterFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12341:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12341 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12341:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12341 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12347:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12347:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_Display__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12373:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12373 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12373:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12373 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12374:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12374 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12374:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12374 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_Display__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12391:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12391 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12391:47: note: in expansion of macro ‘XSRETURN’
12391 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_Display(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12396:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12396 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12396:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12396 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12398:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12398 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12398:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12398 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12406:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12406:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBFormat_FormatFromMIME(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12422:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12422 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12422:47: note: in expansion of macro ‘XSRETURN’
12422 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBConversion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12498:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12498 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12498:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12498 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12509:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12509 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12509:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12509 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12539:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12539 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12539:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12539 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12540:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12540 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12540:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12540 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12553:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12553 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12553:47: note: in expansion of macro ‘XSRETURN’
12553 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12560:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12560 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12560:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12560 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12566:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12566 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12566:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12566 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FindFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12581:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12581 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12581:47: note: in expansion of macro ‘XSRETURN’
12581 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FindFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12595:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12595 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12595:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12595 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromExt__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12612:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12612 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12612:47: note: in expansion of macro ‘XSRETURN’
12612 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromExt__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12627:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12627 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12627:47: note: in expansion of macro ‘XSRETURN’
12627 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromExt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12655:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12655 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12655:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12655 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12670:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12670 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12670:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12670 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_FormatFromMIME(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12685:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12685 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12685:47: note: in expansion of macro ‘XSRETURN’
12685 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInStream(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12735:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12735 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12735 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12741:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12741 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12741 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutStream(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12777:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12777 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12777:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12777 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12783:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12783 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12783:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12783 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12812:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12812 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12812:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12812 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12813:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12813 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12813:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12813 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12830:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12830 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12830:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12830 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12831:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12831 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12831:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12831 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12845:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12845 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12845:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12845 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12846:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12846 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12846:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12846 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc3 == SWIG_NEWOBJ) delete[] buf3; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInAndOutFormats(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12906:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12906 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12906:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12906 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12908:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12908 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12908:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12908 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12910:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12910 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12910:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12910 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12914:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12914 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12914:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12914 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12921:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12921 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12921:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12921 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12923:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12923 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12923:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12923 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12925:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12925 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12925:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12925 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12931:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12931 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12931:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12931 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12940:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12940 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12940:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12940 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12942:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12942 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12942:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12942 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12944:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12944 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12944:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12944 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12952 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12952 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12982:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12982 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12982:47: note: in expansion of macro ‘XSRETURN’
12982 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12994:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12994 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:12994:47: note: in expansion of macro ‘XSRETURN’
12994 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetInFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13026:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13026 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13026:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13026 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13028:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13028 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13028:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13028 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13032:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13032 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13032:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13032 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13038:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13038 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13038:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13038 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13040:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13040 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13040:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13040 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13046:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13046 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13046:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13046 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutFormat__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13071:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13071 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13071:47: note: in expansion of macro ‘XSRETURN’
13071 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutFormat__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13083:47: note: in expansion of macro ‘XSRETURN’
13083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOutFormat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13115:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13115 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13115:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13115 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13117:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13117 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13117:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13117 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13121:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13121 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13121:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13121 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13127:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13127 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13127:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13127 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13129:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13129 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13129:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13129 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13135:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13135 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13135:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13135 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_IsOption__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13258:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13258 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13258:47: note: in expansion of macro ‘XSRETURN’
13258 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_IsOption(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13274:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13274 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13274:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13274 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13280:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13280 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13280:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13280 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_AddOption__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13335:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13335 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13335:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13335 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_AddOption__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13345:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13345 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13345:47: note: in expansion of macro ‘XSRETURN’
13345 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_AddOption(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13350:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13350 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13350:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13350 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13356:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13356 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13356:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13356 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13363:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13363 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13363:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13363 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RemoveOption(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13389:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13389 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13389:47: note: in expansion of macro ‘XSRETURN’
13389 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOptions(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13405:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13405 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13405:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13405 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; SWIG_croak_null(); }  }
      |                                               ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_RegisterOptionParam(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13454:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13454 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13454:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13454 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13456:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13456 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13456:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13456 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13460:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13460 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13460:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13460 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13462:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13462:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13462 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13469:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13469 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13469:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13469 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_CopyOptions(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13518:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13518 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13518:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13518 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13520:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13520 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13520:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13520 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13524:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13524 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13524:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13524 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13526:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13526 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13526:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13526 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_Convert(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13577:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13577 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13577:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13577 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13581:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13581 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13581:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13581 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetFirstInput(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13671:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13671 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13671:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13671 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13675:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13675 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13675:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13675 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_SetOneObjectOnly(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13728:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13728 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13728:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13728 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13732:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13732 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13732:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13732 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_Write(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13800:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13800 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13800:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13800 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13802:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13802 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13802:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13802 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13806:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13806 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13806:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13806 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13808:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13808 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13808:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13808 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_WriteString(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13845:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13845 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13845:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13845 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13847:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13847 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13847:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13847 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13851:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13851 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13851:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13851 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13853:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13853 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13853:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13853 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_Read(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13911:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13911 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13911:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13911 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13913:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13913:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13917:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13917:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13919:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13919:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBConversion_ReportNumberConverted(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13998:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13998 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:13998:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13998 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14004:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14004 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14004:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14004 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14008:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14008 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14008:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14008 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_SetName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14093:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14093 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14093:43: note: in expansion of macro ‘XSRETURN’
14093 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_SetNum(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14117:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14117 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14117:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14117 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14119:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14119 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14119:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14119 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14123:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14123 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14123:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14123 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14125:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14125 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14125:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14125 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_SetAtomID(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14185:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14185 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14185:43: note: in expansion of macro ‘XSRETURN’
14185 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidue_GetBonds(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14310:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14310 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14310:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14310 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14314:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14314 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14314:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14314 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBInternalCoord(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14689:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14689 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14689:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14689 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14693:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14693 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14693:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14693 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14695:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14695 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14695:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14695 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14699:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14699 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14699:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14699 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14701:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14701 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14701:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14701 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14703:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14703 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14703:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14703 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14707:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14707 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14707:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14707 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14709:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14709 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14709:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14709 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14711:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14711 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14711:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14711 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14717:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14717 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14717:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14717 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14719:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14719 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14719:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14719 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14721:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14721 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14721:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14721 |       if (!_v) goto check_6; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14729:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14729 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14729:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14729 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14731:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14731 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14731:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14731 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14733:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14733 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14733:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14733 |       if (!_v) goto check_7; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14895:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14895 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14895:47: note: in expansion of macro ‘XSRETURN’
14895 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14908:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14908 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14908:43: note: in expansion of macro ‘XSRETURN’
14908 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14912:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14912:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14914:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14914 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14914:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14914 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14918:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14918:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14983:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14983 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14983:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14983 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14987:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14987 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14987:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14987 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14989:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14989 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14989:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14989 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14993:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14993 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:14993:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14993 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15044:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15044 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15044:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15044 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15048:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15048 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15048:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15048 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15074:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15074 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15074:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15074 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15078:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15078 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15078:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15078 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15316 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15316 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15320:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15320:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15483:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15483 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15483:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15483 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15485:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15485 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15485:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15485 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15489:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15489 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15489:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15489 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15491:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15491 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15491:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15491 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15495:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15495 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15495:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15495 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15534:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15534 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15534:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15534 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15536:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15536 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15536:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15536 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15538:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15538 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15538:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15538 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15542:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15542 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15542:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15542 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15674:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15674 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15674:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15674 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15678:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15678 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15678:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15678 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15966:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15966 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15966:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15966 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15970:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15970 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:15970:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15970 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBAtom_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16044:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16044 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16044:47: note: in expansion of macro ‘XSRETURN’
16044 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16160:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16160 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16160:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16160 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16166:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16166 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16166:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16166 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16168:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16168 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16168:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16168 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16217:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16217 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16217:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16217 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16221:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16221 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16221:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16221 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16247:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16247 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16247:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16247 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16251:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16251 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16251:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16251 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16277:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16277 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16277:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16277 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16281:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16281 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16281:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16281 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16307:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16307:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16311:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16311:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16337:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16337 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16337:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16337 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16341:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16341 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16341:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16341 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16367:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16367 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16367:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16367 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16371:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16371 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16371:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16371 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16447:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16447 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16447:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16447 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16451:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16451:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16476:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16476 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16476:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16476 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16480:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16480 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16480:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16480 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBond_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16576:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16576 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16576:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16576 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16580:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16580 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16580:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16580 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBMol(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16699:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16699 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16699:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16699 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16799:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16799 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16799:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16799 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16801:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16801 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16801:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16801 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16805:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16805 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16805:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16805 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16807:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16807 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16807:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16807 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16897:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16897 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16897:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16897 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16899:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16899 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16899:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16899 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16903:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16903 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16903:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16903 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16912:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16912 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16912:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16912 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16922:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16922 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16922:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16922 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_NewAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16972:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16972 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16972:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16972 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16976:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16976:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16978:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16978 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:16978:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16978 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_NewBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17005:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17005 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17005:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17005 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17009:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17009 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17009:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17009 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17011:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17011 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17011:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17011 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17053:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17053 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17053:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17053 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17055:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17055 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17055:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17055 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17059:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17059 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17059:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17059 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17061:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17061 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17061:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17061 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17098:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17098 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17098:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17098 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17100:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17100 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17100:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17100 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17104:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17104 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17104:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17104 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17106:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17106 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17106:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17106 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteResidue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17143:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17143 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17143:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17143 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17145:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17145 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17145:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17145 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17149:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17149 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17149:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17149 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17151:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17151 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17151:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17151 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_EndModify(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17183:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17183 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17183:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17183 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17187:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17187 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17187:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17187 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17239:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17239 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17239:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17239 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17243:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17243:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_NumRotors(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17302:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17302 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17302:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17302 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17306:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17306 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17306:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17306 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetBond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17401:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17401 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17401:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17401 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17407:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17407 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17407:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17407 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17409:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17409 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17409:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17409 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17411:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17411 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17411:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17411 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17415:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17415 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17415:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17415 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetTorsion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17487:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17487 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17487:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17487 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17489:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17489 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17489:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17489 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17491:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17491 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17491:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17491 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17493:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17493 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17493:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17493 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17495:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17495 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17495:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17495 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17499:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17499 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17499:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17499 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetSpacedFormula__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17567:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17567 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17567:47: note: in expansion of macro ‘XSRETURN’
17567 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetSpacedFormula__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17582:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17582 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17582:47: note: in expansion of macro ‘XSRETURN’
17582 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetSpacedFormula(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17606:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17606 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17606:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17606 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17610:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17610 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17610:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17610 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17616:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17616 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17616:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17616 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17623:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17623 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17623:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17623 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetMolWt(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17663:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17663 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17663:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17663 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17667:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17667 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17667:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17667 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetExactMass(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17695:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17695 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17695:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17695 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17699:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17699 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17699:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17699 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetTitle__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17779:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17779 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17779:47: note: in expansion of macro ‘XSRETURN’
17779 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17796:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17796 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17796:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17796 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17798:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17798 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17798:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17798 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17802:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17802 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17802:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17802 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetAromaticPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17913:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17913:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17917:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17917:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17917 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetSSSRPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17943:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17943 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17943:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17943 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17947:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17947 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17947:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17947 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetLSSRPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17973:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17973 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17973:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17973 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17977:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17977 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:17977:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17977 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetRingAtomsAndBondsPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18004:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18004 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18004:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18004 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18008:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18008 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18008:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18008 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetAtomTypesPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18035:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18035 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18035:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18035 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18039:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18039 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18039:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18039 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetRingTypesPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18066:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18066 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18066:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18066 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18070:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18070 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18070:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18070 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetChainsPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18097:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18097 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18097:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18097 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18101:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18101 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18101:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18101 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetChiralityPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18128:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18128 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18128:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18128 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18132:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18132 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18132:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18132 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetPartialChargesPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18159:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18159 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18159 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18163:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18163 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18163:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18163 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetHybridizationPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18190:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18190 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18190:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18190 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18194:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18194 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18194:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18194 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetClosureBondsPerceived(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18221:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18221 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18221:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18221 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18225:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18225 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18225:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18225 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetHydrogensAdded(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18251:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18251 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18251:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18251 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18255:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18255:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetCorrectedForPH(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18281:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18281:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18285:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18285:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetSpinMultiplicityAssigned(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18312:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18312:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetIsPatternStructure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18343:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18343 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18343:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18343 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18347:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18347:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetIsReaction(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18373:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18373 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18373:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18373 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18377:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18377 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18377:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18377 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_SetPeriodicMol(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18403:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18403 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18403:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18403 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18407:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18407 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18407:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18407 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_RenumberAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18487:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18487 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18487:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18487 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18493:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18493 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18493:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18493 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_ToInertialFrame(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18533:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18533 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18533:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18533 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18537:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18537 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18537:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18537 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Translate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18576:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18576 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18576:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18576 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18578:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18578 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18578:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18578 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18582:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18582 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18582:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18582 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18584:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18584 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18584:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18584 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Rotate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18627:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18627:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18633:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18633 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18633:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18633 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18639:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18639 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18639:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18639 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_DeleteHydrogens(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18676:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18676 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18676:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18676 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18680:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18680 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18680:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18680 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18682:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18682 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18682:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18682 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddHydrogens(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18778:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18778 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18778:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18778 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18782:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18782 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18782:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18782 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18784:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18784 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18784:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18784 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18788:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18788 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18788:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18788 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18794:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18794 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18794:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18794 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18802:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18802 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18802:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18802 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AddNewHydrogens(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18878:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18878 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18878 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18884:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18884 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18884:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18884 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18892:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18892 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18892:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18892 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_StripSalts(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18925:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18925 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18925:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18925 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18929:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18929 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18929:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18929 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18931:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18931 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18931:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18931 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Separate(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18962:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18962 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18962:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18962 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18966:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:18966:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_CopySubstructure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19121:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19121 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19121:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19121 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19123:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19123 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19123:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19123 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19125:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19125 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19125:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19125 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19129:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19129 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19129:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19129 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19131:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19131 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19131:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19131 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19133:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19133 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19133:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19133 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19135:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19135 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19135:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19135 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19139:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19139 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19139:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19139 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19141:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19141 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19141:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19141 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19143:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19143 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19143:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19143 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19145:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19145 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19145:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19145 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19147:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19147 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19147:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19147 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19151:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19151 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19151:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19151 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19153:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19153 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19153:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19153 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19155:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19155 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19155:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19155 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19157:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19157 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19157:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19157 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19159:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19159 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19159:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19159 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19161:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19161 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19161:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19161 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19165:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19165 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19165:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19165 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19167:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19167 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19167:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19167 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19169:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19169 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19169:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19169 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19171:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19171 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19171:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19171 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19173:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19173 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19173:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19173 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19175:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19175 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19175:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19175 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19177:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19177 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19177:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19177 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_CorrectForPH(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19228:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19228 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19228:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19228 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19232:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19232 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19232:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19232 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_AssignSpinMultiplicity(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19261:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19261 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19261:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19261 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19265:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19265 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19265:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19265 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Center(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19297:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19297 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19297:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19297 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19301:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19301 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19301:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19301 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_FindChildren(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19393:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19393 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19393:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19393 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19395:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19395 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19395:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19395 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19402:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19402 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19402:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19402 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19406:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19406:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19408:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19408 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19408:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19408 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_Has2D(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19545:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19545 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19545:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19545 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19549:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19549 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19549:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19549 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMol_GetEnergy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19807:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19807:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19807 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19811:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19811 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:19811:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19811 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_ThrowError__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20021:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20021 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20021:47: note: in expansion of macro ‘XSRETURN’
20021 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_ThrowError(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20034:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20034 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20034:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20034 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_NewExtension(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20083:47: note: in expansion of macro ‘XSRETURN’
20083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing__path_set(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20172:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20172 |     if (arg1) (arg1)->_path = *arg2; ST(argvi) = &PL_sv_undef; XSRETURN(argvi); fail: SWIG_croak_null(); }  }
      |     ^~
In file included from /usr/lib64/perl5/CORE/perl.h:6194:
/usr/lib64/perl5/CORE/embedvar.h:285:49: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  285 | # define PL_stack_base                          (vTHX->Istack_base)
      |                                                 ^
/usr/lib64/perl5/CORE/XSUB.h:117:17: note: in expansion of macro ‘PL_stack_base’
  117 | #define ST(off) PL_stack_base[ax + (off)]
      |                 ^~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20172:38: note: in expansion of macro ‘ST’
20172 |     if (arg1) (arg1)->_path = *arg2; ST(argvi) = &PL_sv_undef; XSRETURN(argvi); fail: SWIG_croak_null(); }  }
      |                                      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20249:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20249 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20249:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20249 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20253:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20253 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20253:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20253 |        if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20259:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20259 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20259:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20259 |        if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20298:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20298 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20298:47: note: in expansion of macro ‘XSRETURN’
20298 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20315:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20315 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20315:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20315 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20317:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20317 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20317:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20317 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20321:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20321 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20321:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20321 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRing_IsMember(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20367:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20367 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20367:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20367 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20369:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20369 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20369:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20369 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20373:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20373 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20373:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20373 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20375:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20375 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20375:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20375 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Init__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20619 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20619:47: note: in expansion of macro ‘XSRETURN’
20619 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Init__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20633:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20633 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20633:43: note: in expansion of macro ‘XSRETURN’
20633 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Init(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20637:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20637 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20637:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20637 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20639:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20639 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20639:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20639 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20643:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20643 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20643:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20643 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_Match(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20831:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20831 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20831:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20831 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20833:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20833 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20833 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20837:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20837 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20837:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20837 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20839:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20839 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20839:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20839 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20845:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20845 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20845:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20845 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20847:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20847 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20847:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20847 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20853:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20853 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20853:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20853 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20855:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20855 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20855:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20855 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsPattern_RestrictedMatch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20966:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20966 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20966:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20966 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20968:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20968 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20968:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20968 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20974:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20974 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20974:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20974 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20976:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20976:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20976 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20982:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20982 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20982 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20984:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20984 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20984:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20984 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20992:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20992 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20992:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20992 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20994:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20994 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:20994:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20994 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSmartsMatcher_match(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21126:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21126 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21126:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21126 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21128:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21128 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21128:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21128 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21130:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21130 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21130:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21130 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21136:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21136 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21136:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21136 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21138:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21138 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21138:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21138 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21140:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21140 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21140:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21140 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBSSMatch_Match(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21200:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21200 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21200:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21200 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21206:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21206 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21206:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21206 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_SetAlias__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21245:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21245 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21245:43: note: in expansion of macro ‘XSRETURN’
21245 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_SetAlias__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21255:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21255 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21255:47: note: in expansion of macro ‘XSRETURN’
21255 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_SetAlias(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21260:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21260 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21260:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21260 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21262:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21262 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21262:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21262 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21266:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21266 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21266:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21266 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_AliasData_GetAlias(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21295:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21295 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21295:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21295 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21299:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21299 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21299:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21299 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBDescriptor__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21378:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21378 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21378:47: note: in expansion of macro ‘XSRETURN’
21378 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBDescriptor__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21388:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21388 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21388:47: note: in expansion of macro ‘XSRETURN’
21388 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBDescriptor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21396:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21396 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21396:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21396 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21411:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21411 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21411:47: note: in expansion of macro ‘XSRETURN’
21411 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Predict(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21443:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21443 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21443:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21443 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21445:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21445 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21445:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21445 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21449:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21449 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21449:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21449 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21451:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21451:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21451 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21453:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21453 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21453:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21453 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_PredictAndSave(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21488:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21488 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21488:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21488 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21490:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21490 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21490:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21490 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21494:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21494 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21494:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21494 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21496:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21496 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21496:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21496 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21498:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21498 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21498:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21498 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_GetStringValue(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21544:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21544 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21544:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21544 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21546:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21546 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21546:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21546 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21548:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21548 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21548:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21548 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21552:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21552 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21552:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21552 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21554:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21554 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21554:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21554 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21556:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21556 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21556:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21556 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21558:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21558 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21558:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21558 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Compare(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21610:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21610 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21610:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21610 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21612:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21612 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21612:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21612 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21614:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21614 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21614:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21614 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21620:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21620:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21622:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21622 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21622:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21622 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21624:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21624 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21624:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21624 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21628:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21628 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21628:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21628 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Display__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21652:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21652 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21652:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21652 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail:
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21653:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21653 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21653:47: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21653 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; SWIG_croak_null(); }  }
      |                                               ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Display__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21670:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21670 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21670:47: note: in expansion of macro ‘XSRETURN’
21670 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Display(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21675:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21675 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21675:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21675 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21677:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21677 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21677:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21677 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21683:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21683 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21683:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21683 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21685:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21685 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21685:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21685 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_Order(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21725:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21725 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21725:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21725 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21733:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21733 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21733:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21733 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21735:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21735 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21735 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21737:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21737 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21737:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21737 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_AddProperties(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21769:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21769 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21769:43: note: in expansion of macro ‘XSRETURN’
21769 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_DeleteProperties(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21781:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21781 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21781:43: note: in expansion of macro ‘XSRETURN’
21781 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBDescriptor_GetValues(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21794:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21794 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:21794:43: note: in expansion of macro ‘XSRETURN’
21794 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23072:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23072 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23072:47: note: in expansion of macro ‘XSRETURN’
23072 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindForceField__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23097:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23097 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23097:43: note: in expansion of macro ‘XSRETURN’
23097 |     if (SWIG_IsNewObj(res1)) delete arg1; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res1)) delete arg1; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindForceField__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23106:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23106 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23106:47: note: in expansion of macro ‘XSRETURN’
23106 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_FindForceField(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23111:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23111 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23111:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23111 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SetParameterFile(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23131:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23131 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23131:43: note: in expansion of macro ‘XSRETURN’
23131 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_Setup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23183:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23183 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23183:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23183 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23185:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23185 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23185:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23185 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23189:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23189 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23189:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23189 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23191:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23191 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23191:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23191 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_GetGrid(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23383:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23383 |     if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23383:47: note: in expansion of macro ‘XSRETURN’
23383 |     if (alloc4 == SWIG_NEWOBJ) delete[] buf4; XSRETURN(argvi); fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_GetGradient(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23600:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23600 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23600:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23600 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23602:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23602 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23602:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23602 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23606:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23606 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23606:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23606 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23608:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23608 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23608:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23608 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_Energy(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23645:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23645 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23645:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23645 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23649:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23649 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23649:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23649 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Bond(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23678:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23678 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23678:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23678 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23682:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23682 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23682:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23682 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Angle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23711:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23711 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23711:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23711 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23715:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23715 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23715:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23715 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_StrBnd(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23744:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23744 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23744:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23744 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23748 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23748 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Torsion(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23777:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23777 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23777:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23777 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23781:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23781 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23781:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23781 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_OOP(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23810:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23810 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23810:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23810 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23814 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23814 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_VDW(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23843:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23843 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23843:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23843 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23847:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23847 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23847:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23847 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_E_Electrostatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23876:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23876 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23876:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23876 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23880:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23880 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23880:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23880 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_OBFFLog__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23964:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23964 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23964:47: note: in expansion of macro ‘XSRETURN’
23964 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_OBFFLog(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23969:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23969:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23969 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23971:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23971 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23971:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23971 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23975:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23975 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:23975:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23975 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SystematicRotorSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24023:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24023 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24023:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24023 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24027 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24027 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24029:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24029 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24029:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24029 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24033:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24033 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24033:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24033 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24035:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24035 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24035:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24035 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SystematicRotorSearchInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24082:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24082 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24082:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24082 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24086:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24086 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24086:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24086 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24088:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24088 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24088:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24088 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24092:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24092 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24092:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24092 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24094:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24094 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24094:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24094 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SystematicRotorSearchNextConformer(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24125:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24125 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24125:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24125 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24129:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24129 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24129:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24129 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24131:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24131 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24131:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24131 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_RandomRotorSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24180:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24180 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24180:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24180 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24182:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24182 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24182:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24182 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24186:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24186 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24186:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24186 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24188:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24188 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24188:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24188 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24190:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24190 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24190:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24190 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24194:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24194 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24194:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24194 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24196:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24196 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24196:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24196 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24198:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24198 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24198:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24198 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_RandomRotorSearchInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24250:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24250:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24252:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24252:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24256:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24256:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24258:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24258 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24258:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24258 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24260:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24260 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24260:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24260 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24264:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24264 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24264:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24264 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24266:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24266 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24266:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24266 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24268:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24268 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24268:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24268 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_RandomRotorSearchNextConformer(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24299:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24299 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24299:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24299 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24303:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24303 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24303:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24303 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24305:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24305 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24305:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24305 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_WeightedRotorSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24344:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24344 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24344:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24344 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24346:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24346 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24346:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24346 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24348:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24348 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24348:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24348 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24352:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24352 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24352:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24352 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24354:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24354 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24354:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24354 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24356:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24356 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24356:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24356 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_LineSearch(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24416:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24416 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24416:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24416 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24418:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24418 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24418:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24418 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24420:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24420 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24420:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24420 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24424:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24424 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24424:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24424 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SteepestDescent(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24502:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24502 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24502:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24502 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24508:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24508 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24508:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24508 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24516:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24516 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24516:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24516 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_SteepestDescentInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24575:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24575 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24575:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24575 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24579:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24579 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24579:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24579 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24585:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24585 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24585:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24585 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24593:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24593 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24593:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24593 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_ConjugateGradients(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24657:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24657 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24657:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24657 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24663:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24663:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24671:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24671 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24671:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24671 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_ConjugateGradientsInitialize(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24730:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24730 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24730:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24730 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24734:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24734 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24734:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24734 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24740:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24740 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24740:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24740 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24748 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24748 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_MolecularDynamicsTakeNSteps(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24836:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24836:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24844:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24844 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24844:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24844 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24854:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24854 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:24854:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24854 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_VectorAngleDerivative(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25171:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25171 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25171:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25171 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25173:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25173 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25173:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25173 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25175:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25175 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25175:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25175 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_VectorOOPDerivative(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25258:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25258 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25258:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25258 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25260:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25260 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25260:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25260 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25262:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25262 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25262:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25262 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25264:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25264 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25264:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25264 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBForceField_VectorTorsionDerivative(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25351:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25351 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25351:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25351 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25353:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25353 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25353:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25353 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25355:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25355 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25355:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25355 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25357:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25357 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25357:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25357 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_Build(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25599:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25599 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25599:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25599 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25601:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25601 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25601:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25601 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25605:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25605 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25605:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25605 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25607:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25607 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25607:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25607 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_GetNewBondVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25689:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25689 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25689:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25689 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25693:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25693 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25693:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25693 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_Connect(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25781:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25781 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25781:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25781 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25788:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25788 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25788:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25788 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25797:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25797 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25797:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25797 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25806:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25806 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25806:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25806 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBBuilder_CorrectStereoAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25874:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25874 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25874:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25874 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25878:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_FindType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25934:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25934 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25934:47: note: in expansion of macro ‘XSRETURN’
25934 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25960:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25960 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25960:47: note: in expansion of macro ‘XSRETURN’
25960 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25981:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25981 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25981:47: note: in expansion of macro ‘XSRETURN’
25981 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25997:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25997 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:25997:47: note: in expansion of macro ‘XSRETURN’
25997 |     if (alloc3 == SWIG_NEWOBJ) delete[] buf3; XSRETURN(argvi); fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBOp_Do(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26013:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26013 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26013:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26013 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26015:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26015:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26015 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26019:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26019 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26019:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26019 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26021:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26021 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26021:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26021 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26027 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26027 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26029:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26029 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26029:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26029 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26037:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26037 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26037:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26037 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26039:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26039 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26039:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26039 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBRotorRule(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26126:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26126 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26126:47: note: in expansion of macro ‘XSRETURN’
26126 |     if (alloc1 == SWIG_NEWOBJ) delete[] buf1; XSRETURN(argvi); fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_SetDihedralAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26314:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26314 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26314:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26314 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26316:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26316 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26316:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26316 |        if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26320:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26320:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26320 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_SetRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26409:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26409 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26409:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26409 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26416:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26416 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26416:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26416 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_Set(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26504:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26504 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26504:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26504 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26511:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26511 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26511:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26511 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26520:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26520 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26520:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26520 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotor_GetDihedralAtoms(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26579:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26579 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26579:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26579 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26583:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26583 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26583:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26583 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotorList_Setup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26834:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26834 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26834:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26834 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26836:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26836:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26840:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26840 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26840:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26840 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26842:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26842 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26842:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26842 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotorList_FindRotors(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26925:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26925 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26925:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26925 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26927:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26927 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26927:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26927 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26931:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26931 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26931:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26931 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26933:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26933 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:26933:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26933 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotamerList_Setup(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27235:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27235 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27235:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27235 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27237:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27237 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27237:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27237 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27243:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27243:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27243 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27245:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27245 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27245:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27245 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27247:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27247 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27247:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27247 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotamerList_AddRotamer(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27318:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27318 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27318:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27318 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27324:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27324 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27324:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27324 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27330:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27330 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27330:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27330 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27332:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27332 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27332:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27332 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27336:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27336 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27336:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27336 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { { {  std::vector< int >* v;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBRotamerList_SetBaseCoordinateSets(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27471:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27471 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27471:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27471 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27473:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27473 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27473:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27473 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27477:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27477 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27477:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27477 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27481:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27481 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27481:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27481 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAtomIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27592:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27592:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27592 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27640:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27640 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27640:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27640 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27644:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27644 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27644:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27644 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27800:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27800 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27800:47: note: in expansion of macro ‘XSRETURN’
27800 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27813:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27813 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27813:43: note: in expansion of macro ‘XSRETURN’
27813 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27817:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27817 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27817:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27817 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27819:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27819 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27819:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27819 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27823:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27823 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27823:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27823 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27879:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27879 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27879:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27879 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27883:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27883:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27885:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27885 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27885:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27885 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27889:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27889 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27889:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27889 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27951:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27951 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27951:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27951 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27955:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27955 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27955:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27955 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27982:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27986:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:27986:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28226:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28226 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28226:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28226 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28230:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28230 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28230:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28230 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28398:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28398 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28398:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28398 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28400:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28400 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28400:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28400 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28406:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28406:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28406 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28410:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28410 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28410:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28410 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28449:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28449 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28449:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28449 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28451:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28451 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28451:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28451 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28453:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28453 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28453:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28453 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28457:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28457 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28457:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28457 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28591:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28591 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28591:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28591 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28595:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28595 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28595:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28595 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28898:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28898 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28898:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28898 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28902:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28902 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28902:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28902 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28982:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28982 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:28982:47: note: in expansion of macro ‘XSRETURN’
28982 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29038:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29038 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29038:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29038 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29042:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29042 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29042:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29042 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29058:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29058 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29058:47: note: in expansion of macro ‘XSRETURN’
29058 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29072:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29072 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29072:43: note: in expansion of macro ‘XSRETURN’
29072 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29083:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29083:47: note: in expansion of macro ‘XSRETURN’
29083 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29099:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29099 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29099:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29099 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29101:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29101 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29101:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29101 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29105:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29105 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29105:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29105 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29107:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29107 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29107:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29107 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29111:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29111 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29111:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29111 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29165:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29165 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29165:43: note: in expansion of macro ‘XSRETURN’
29165 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29169:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29169 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29169:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29169 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29171:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29171 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29171:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29171 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29175:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29175 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29175:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29175 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29181:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29181 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29181:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29181 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29183:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29183 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29183:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29183 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29187:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29187 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29187:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29187 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29189:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29189 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29189:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29189 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29240:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29240 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29240:43: note: in expansion of macro ‘XSRETURN’
29240 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29252:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29252 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29252:47: note: in expansion of macro ‘XSRETURN’
29252 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29281:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29281:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29285:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29285:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29287:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29287 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29287:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29287 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29291:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29291 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29291:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29291 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29297:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29297 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29297:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29297 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29299:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29299 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29299:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29299 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29303:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29303 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29303:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29303 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAtomDFSIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29385:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29385 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29385:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29385 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29393:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29393 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29393:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29393 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29442:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29442 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29442:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29442 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29446:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29446 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29446:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29446 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29610:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29610 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29610:47: note: in expansion of macro ‘XSRETURN’
29610 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29623 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29623:43: note: in expansion of macro ‘XSRETURN’
29623 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29627:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29627:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29627 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29629:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29629 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29629:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29629 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29633:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29633 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29633:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29633 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29689:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29689 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29689:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29689 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29693:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29693 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29693:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29693 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29695:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29695 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29695:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29695 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29699:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29699 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29699:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29699 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29761:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29761 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29761:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29761 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29765:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29765 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29765:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29765 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29792:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29792 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29792:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29792 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29796:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29796 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:29796:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29796 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30036:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30036 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30036:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30036 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30040:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30040:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30208:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30208 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30208:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30208 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30210:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30210 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30210:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30210 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30214:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30214 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30214:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30214 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30216:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30216 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30216:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30216 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30220:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30220 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30220:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30220 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30260:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30260 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30260:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30260 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30262:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30262 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30262:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30262 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30264:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30264 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30264:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30264 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30268:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30268 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30268:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30268 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30404 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30404 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30408:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30408 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30408:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30408 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30712:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30712 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30712:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30712 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30716:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30716 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30716:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30716 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30796 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30796:47: note: in expansion of macro ‘XSRETURN’
30796 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30852:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30852 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30852:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30852 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30856:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30856 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30856:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30856 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30872:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30872 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30872:47: note: in expansion of macro ‘XSRETURN’
30872 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30886:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30886 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30886:43: note: in expansion of macro ‘XSRETURN’
30886 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30897:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30897 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30897:47: note: in expansion of macro ‘XSRETURN’
30897 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30913:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30913:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30913 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30915:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30915 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30915:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30915 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30919:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30919:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30919 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30921:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30921 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30921:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30921 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30925:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30925 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30925:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30925 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30979:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30979 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30979:43: note: in expansion of macro ‘XSRETURN’
30979 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30983:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30983 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30983:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30983 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30985:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30985 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30985:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30985 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30989:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30989 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30989:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30989 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30995:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30995 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30995:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30995 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30997:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30997 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:30997:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30997 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31001:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31001 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31001:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31001 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31003:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31003 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31003:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31003 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31054:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31054 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31054:43: note: in expansion of macro ‘XSRETURN’
31054 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31066:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31066 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31066:47: note: in expansion of macro ‘XSRETURN’
31066 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomDFSIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31095:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31095 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31095:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31095 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31099:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31099 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31099:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31099 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31101:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31101 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31101:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31101 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31105:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31105 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31105:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31105 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31111:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31111 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31111:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31111 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31113:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31113 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31113:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31113 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31117:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31117 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31117:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31117 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAtomBFSIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31201:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31201 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31201:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31201 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31209:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31209 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31209:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31209 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31258:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31258 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31258:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31258 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31262:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31262 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31262:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31262 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31427:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31427 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31427:47: note: in expansion of macro ‘XSRETURN’
31427 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31440:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31440 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31440:43: note: in expansion of macro ‘XSRETURN’
31440 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31444:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31444 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31444:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31444 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31446:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31446 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31446:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31446 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31450:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31450 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31450:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31450 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31506:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31506 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31506:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31506 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31510:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31510 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31510:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31510 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31512:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31512 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31512:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31512 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31516:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31516 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31516:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31516 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31578:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31578 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31578:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31578 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31582:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31582 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31582:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31582 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31609:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31609 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31609:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31609 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31613:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31613 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31613:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31613 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31853:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31853 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31853:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31853 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31857:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31857 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:31857:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31857 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32025:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32025 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32025:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32025 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32027 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32027 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32031:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32031 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32031:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32031 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32033:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32033 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32033:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32033 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32037:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32037 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32037:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32037 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32077:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32077 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32077:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32077 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32079:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32079 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32079:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32079 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32081:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32081 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32081:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32081 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32085:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32085 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32085:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32085 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32221:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32221 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32221:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32221 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32225:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32225 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32225:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32225 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32529:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32529 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32529:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32529 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32533:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32533 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32533:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32533 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32613:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32613 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32613:47: note: in expansion of macro ‘XSRETURN’
32613 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32669:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32669 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32669:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32669 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32673:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32673 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32673:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32673 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32689:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32689 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32689:47: note: in expansion of macro ‘XSRETURN’
32689 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32703:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32703 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32703:43: note: in expansion of macro ‘XSRETURN’
32703 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32714:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32714 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32714:47: note: in expansion of macro ‘XSRETURN’
32714 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32730:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32730 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32730:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32730 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32732:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32732 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32732:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32732 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32736:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32736 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32736:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32736 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32738:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32738:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32738 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32742:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32742 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32742:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32742 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32796:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32796 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32796:43: note: in expansion of macro ‘XSRETURN’
32796 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32800:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32800 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32800:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32800 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32802:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32802 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32802:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32802 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32806:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32806 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32806:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32806 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32812:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32812 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32812:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32812 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32814 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32814 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32818:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32818 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32818:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32818 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32820:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32820 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32820:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32820 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32871:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32871 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32871:43: note: in expansion of macro ‘XSRETURN’
32871 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32883:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32883 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32883:47: note: in expansion of macro ‘XSRETURN’
32883 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolAtomBFSIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32912:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32912:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32912 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32916:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32916 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32916:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32916 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32918:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32918:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32918 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32922:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32922 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32922:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32922 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32928:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32928 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32928:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32928 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32930:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32930 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32930:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32930 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32934:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32934 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:32934:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32934 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBMolBondBFSIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33018:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33018 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33018:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33018 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33026:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33026 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33026:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33026 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33075:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33075 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33075:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33075 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33079:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33079 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33079:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33079 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33218:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33218 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33218:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33218 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33224:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33224 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33224:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33224 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33226:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33226 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33226:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33226 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33276:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33276 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33276:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33276 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33280:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33280 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33280:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33280 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33307:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33307:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33307 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33311:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33311:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33311 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33338:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33338 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33338:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33338 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33342:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33342 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33342:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33342 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33369:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33369 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33369:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33369 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33373:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33373 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33373:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33373 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33400:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33400 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33400:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33400 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33404:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33404:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33404 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33431:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33431 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33431:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33431 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33435:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33435 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33435:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33435 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33509:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33509 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33509:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33509 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33513:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33513 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33513:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33513 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33537:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33537 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33537:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33537 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33541:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33541 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33541:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33541 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33640:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33640 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33640:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33640 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33644:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33644 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33644:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33644 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33809:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33809 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33809:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33809 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33813:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33813 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33813:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33813 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33829:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33829 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33829:47: note: in expansion of macro ‘XSRETURN’
33829 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33843:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33843 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33843:43: note: in expansion of macro ‘XSRETURN’
33843 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33854:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33854 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33854:47: note: in expansion of macro ‘XSRETURN’
33854 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33870:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33870 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33870:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33870 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33872:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33872:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33872 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33876:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33876:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33876 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33878:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33878:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33878 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33882:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33882 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33882:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33882 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33936:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33936 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33936:43: note: in expansion of macro ‘XSRETURN’
33936 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33940:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33940 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33940:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33940 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33942:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33942 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33942:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33942 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33946:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33946 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33946:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33946 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33952 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33952 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33954:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33954 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33954:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33954 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33958:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33958 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33958:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33958 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33960:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33960 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:33960:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33960 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34011:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34011 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34011:43: note: in expansion of macro ‘XSRETURN’
34011 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34023:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34023 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34023:47: note: in expansion of macro ‘XSRETURN’
34023 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBMolBondBFSIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34052:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34052:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34056:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34056:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34058:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34058:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34058 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34062:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34062 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34062:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34062 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34068:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34068 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34068:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34068 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34070:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34070 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34070:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34070 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34074:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34074 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34074:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34074 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolBondIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34146:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34146 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34146:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34146 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34194:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34194 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34194:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34194 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34198:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34198 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34198:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34198 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34328:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34328 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34328:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34328 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34334:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34334 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34334:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34334 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34336:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34336 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34336:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34336 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34386:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34386 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34386:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34386 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34390:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34390 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34390:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34390 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34417:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34417 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34417:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34417 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34421:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34421 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34421:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34421 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34448:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34448 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34448:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34448 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34452:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34452 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34452:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34452 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34479:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34479 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34479:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34479 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34483:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34483 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34483:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34483 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34510:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34510 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34510:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34510 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34514:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34514 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34514:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34514 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34541:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34541 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34541:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34541 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34545:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34545 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34545:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34545 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34619:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34619 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34619:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34619 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34623:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34623 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34623:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34623 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34647:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34647 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34647:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34647 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34651:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34651 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34651:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34651 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34750:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34750 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34750:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34750 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34754:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34754 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34754:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34754 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34919:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34919 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34919:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34919 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34923:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34923 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34923:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34923 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34939:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34939 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34939:47: note: in expansion of macro ‘XSRETURN’
34939 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34953:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34953 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34953:43: note: in expansion of macro ‘XSRETURN’
34953 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34964:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34964 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34964:47: note: in expansion of macro ‘XSRETURN’
34964 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34980:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34980 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34980:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34980 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34982:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34982:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34982 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34986:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34986:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34986 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34988:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34988 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34988:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34988 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34992:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34992 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:34992:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34992 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35046:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35046 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35046:43: note: in expansion of macro ‘XSRETURN’
35046 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35050:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35050 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35050:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35050 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35052:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35052:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35052 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35056:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35056:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35056 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35062:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35062 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35062:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35062 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35064:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35064 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35064:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35064 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35068:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35068 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35068:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35068 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35070:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35070 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35070:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35070 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35121:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35121 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35121:43: note: in expansion of macro ‘XSRETURN’
35121 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35133:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35133 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35133:47: note: in expansion of macro ‘XSRETURN’
35133 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolBondIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35162:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35162 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35162:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35162 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35166:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35166 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35166:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35166 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35168:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35168 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35168:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35168 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35172:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35172 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35172:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35172 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35178:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35178 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35178:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35178 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35180:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35180 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35180:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35180 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35184:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35184 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35184:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35184 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBAtomAtomIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35255:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35255:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35255 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35305:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35305:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35305 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35309:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35309 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35309:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35309 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35465:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35465 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35465:47: note: in expansion of macro ‘XSRETURN’
35465 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35478:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35478 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35478:43: note: in expansion of macro ‘XSRETURN’
35478 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35482:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35482 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35482:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35482 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35484:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35484:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35488:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35488 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35488:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35488 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35544:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35544 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35544:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35544 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35548:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35548 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35548:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35548 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35550:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35550 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35550:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35550 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35554:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35554 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35554:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35554 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35616:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35616 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35616:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35616 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35620:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35620:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35620 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35647:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35647 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35647:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35647 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35651:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35651 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35651:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35651 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35891:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35891 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35891:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35891 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35895:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35895 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:35895:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35895 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36063:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36063 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36063:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36063 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36065:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36065 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36065:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36065 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36069:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36069 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36069:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36069 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36071:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36071 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36071:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36071 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36075:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36075 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36075:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36075 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36114:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36114 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36114:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36114 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36116:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36116 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36116:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36116 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36118:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36118:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36118 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36122:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36122 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36122:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36122 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36256:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36256 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36256:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36256 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36260:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36260 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36260:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36260 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36563:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36563 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36563:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36563 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36567:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36567 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36567:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36567 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36647:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36647 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36647:47: note: in expansion of macro ‘XSRETURN’
36647 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36703:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36703 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36703:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36703 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36707:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36707 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36707:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36707 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36723:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36723 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36723:47: note: in expansion of macro ‘XSRETURN’
36723 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36737:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36737 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36737:43: note: in expansion of macro ‘XSRETURN’
36737 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36748:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36748 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36748:47: note: in expansion of macro ‘XSRETURN’
36748 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36764:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36764:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36764 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36766:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36766 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36766:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36766 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36770:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36770 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36770:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36770 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36772:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36772 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36772:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36772 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36776:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36776 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36776:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36776 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36830:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36830 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36830:43: note: in expansion of macro ‘XSRETURN’
36830 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36834:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36834 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36834:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36834 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36836:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36836:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36836 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36840:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36840 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36840:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36840 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36846:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36846 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36846:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36846 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36848:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36848 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36848:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36848 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36852:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36852 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36852:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36852 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36854:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36854 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36854:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36854 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36905:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36905 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36905:43: note: in expansion of macro ‘XSRETURN’
36905 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36917:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36917 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36917:47: note: in expansion of macro ‘XSRETURN’
36917 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomAtomIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36946:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36946 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36946:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36946 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36950:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36950 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36950:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36950 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36952 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36952 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36956:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36956 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36956:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36956 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36962:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36962 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36962:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36962 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36964:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36964 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36964:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36964 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36968:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36968 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:36968:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36968 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBAtomBondIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37039:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37039 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37039:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37039 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37089:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37089 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37089:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37089 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37093:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37093 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37093:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37093 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetLength(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37223:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37223 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37223:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37223 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37229:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37229 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37229:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37229 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37231:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37231 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37231:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37231 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37281:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37281:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37281 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37285:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37285:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37285 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetWedge(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37312:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37312:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37343:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37343 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37343:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37343 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37347:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37347:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37347 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetWedgeOrHash(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37374:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37374 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37374:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37374 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37378:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37378 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37378:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37378 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37405:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37405 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37405:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37405 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37409:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37409 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37409:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37409 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetClosure(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37436:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37436 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37436:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37436 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37440:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37440 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37440:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37440 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetBeginAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37514:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37514 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37514:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37514 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37518:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37518 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37518:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37518 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetEndAtom(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37542:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37542 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37542:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37542 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37546:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37546 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37546:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37546 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_IsRotor(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37645:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37645 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37645:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37645 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37649:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37649 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37649:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37649 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37814 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37814 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37818:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37818 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37818:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37818 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37834:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37834 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37834:47: note: in expansion of macro ‘XSRETURN’
37834 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37848:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37848 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37848:43: note: in expansion of macro ‘XSRETURN’
37848 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37859:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37859 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37859:47: note: in expansion of macro ‘XSRETURN’
37859 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37875:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37875 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37875:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37875 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37877:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37877 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37877:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37877 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37881:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37881 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37881:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37881 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37883:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37883:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37883 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37887:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37887 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37887:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37887 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37941:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37941 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37941:43: note: in expansion of macro ‘XSRETURN’
37941 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37945:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37945 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37945:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37945 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37947:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37947 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37947:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37947 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37951:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37951 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37951:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37951 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37957:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37957 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37957:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37957 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37959:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37959 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37959:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37959 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37963:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37963 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37963:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37963 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37965:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37965 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:37965:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37965 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38016:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38016 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38016:43: note: in expansion of macro ‘XSRETURN’
38016 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38028:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38028 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38028:47: note: in expansion of macro ‘XSRETURN’
38028 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBAtomBondIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38057:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38057 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38057:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38057 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38061:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38061 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38061:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38061 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38063:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38063 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38063:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38063 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38067:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38067 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38067:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38067 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38073:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38073 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38073:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38073 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38075:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38075 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38075:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38075 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38079:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38079 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38079:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38079 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new_OBResidueIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38150:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38150 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38150:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38150 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38198:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38198 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38198:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38198 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38202:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38202 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38202:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38202 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetName(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38268:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38268 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38268:43: note: in expansion of macro ‘XSRETURN’
38268 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetNum(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38292:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38292 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38292:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38292 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38294:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38294 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38294:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38294 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38298:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38298 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38298:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38298 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38300:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38300 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38300:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38300 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetAtomID(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38360:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38360 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38360:43: note: in expansion of macro ‘XSRETURN’
38360 |     if (SWIG_IsNewObj(res3)) delete arg3; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res3)) delete arg3; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetBonds(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38484:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38484:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38484 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38488:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38488 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38488:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38488 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38687:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38687 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38687:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38687 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38691:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38691 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38691:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38691 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38707:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38707 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38707:47: note: in expansion of macro ‘XSRETURN’
38707 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38721:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38721 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38721:43: note: in expansion of macro ‘XSRETURN’
38721 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38732:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38732 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38732:47: note: in expansion of macro ‘XSRETURN’
38732 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38748:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38748 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38748:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38748 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38750:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38750 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38750:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38750 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38754:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38754 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38754:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38754 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38756:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38756 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38756:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38756 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38760:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38760 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38760:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38760 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38814:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38814 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38814:43: note: in expansion of macro ‘XSRETURN’
38814 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38818:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38818 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38818:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38818 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38820:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38820 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38820:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38820 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38824:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38824 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38824:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38824 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38830:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38830 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38830:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38830 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38832:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38832 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38832:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38832 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38836:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38836 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38836:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38836 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38838:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38838 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38838:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38838 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38889:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38889 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38889:43: note: in expansion of macro ‘XSRETURN’
38889 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38901:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38901 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38901:47: note: in expansion of macro ‘XSRETURN’
38901 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_OBResidueIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38930:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38930 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38930:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38930 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38934:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38934 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38934:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38934 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38936:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38936 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38936:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38936 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38940:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38940 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38940:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38940 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38946:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38946 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38946:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38946 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38948:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38948 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38948:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38948 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38952:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38952 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:38952:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38952 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBResidueAtomIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39023:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39023 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39023:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39023 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39073:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39073 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39073:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39073 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39077:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39077 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39077:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39077 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39233:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39233 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39233:47: note: in expansion of macro ‘XSRETURN’
39233 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetType__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39246:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39246 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39246:43: note: in expansion of macro ‘XSRETURN’
39246 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39250:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39250:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39250 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39252:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39252:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39252 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39256:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39256:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39256 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39312:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39312:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39312 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39316:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39316:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39316 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39318:8: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39318 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |        ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39318:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39318 |        if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                               ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39322:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39322 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39322:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39322 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetAromatic(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39384:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39384 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39384:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39384 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39388:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39388 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39388:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39388 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetInRing(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39415:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39415 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39415:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39415 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39419:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39419 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39419:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39419 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetVector(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39659:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39659 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39659:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39659 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39663:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39663:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39663 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetDistance(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39831:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39831 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39831:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39831 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39833:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39833 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39833:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39833 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39837:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39837 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39837:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39837 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39839:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39839 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39839:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39839 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39843:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39843 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39843:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39843 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetAngle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39883:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39883 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39883:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39883 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39885:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39885 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39885:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39885 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39887:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39887 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39887:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39887 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39891:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39891 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:39891:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39891 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_ExplicitHydrogenCount(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40027:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40027 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40027:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40027 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40031:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40031 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40031:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40031 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasAlphaBetaUnsat(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40335:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40335 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40335:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40335 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40339:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40339 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40339:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40339 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_MatchesSMARTS(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40419:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40419 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40419:47: note: in expansion of macro ‘XSRETURN’
40419 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40475:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40475 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40475:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40475 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40479:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40479 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40479:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40479 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_SetTitle(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40495:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40495 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40495:47: note: in expansion of macro ‘XSRETURN’
40495 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasData__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40509:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40509 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40509:43: note: in expansion of macro ‘XSRETURN’
40509 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40521:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40521 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40521:47: note: in expansion of macro ‘XSRETURN’
40521 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_HasData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40537:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40537 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40537:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40537 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40539:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40539 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40539:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40539 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40543:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40543 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40543:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40543 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40545:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40545 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40545:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40545 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40549:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40549 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40549:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40549 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_DeleteData__SWIG_3(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40603:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40603 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40603:43: note: in expansion of macro ‘XSRETURN’
40603 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_DeleteData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40607:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40607 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40607:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40607 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40609:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40609 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40609:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40609 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40613:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40613 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40613:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40613 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40619:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40619 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40619:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40619 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40621:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40621 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40621:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40621 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40625:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40625 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40625:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40625 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40627:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40627 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40627:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40627 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetData__SWIG_1(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40678:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40678 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40678:43: note: in expansion of macro ‘XSRETURN’
40678 |     if (SWIG_IsNewObj(res2)) delete arg2; XSRETURN(argvi); fail: if (SWIG_IsNewObj(res2)) delete arg2; SWIG_croak_null(); }  }
      |                                           ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetData__SWIG_2(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40690:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40690 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40690:47: note: in expansion of macro ‘XSRETURN’
40690 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBResidueAtomIter_GetData(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40719:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40719:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40719 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40723:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40723 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40723:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40723 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40725:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40725 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40725:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40725 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40729:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40729 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40729:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40729 |       if (!_v) goto check_3; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40735:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40735 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40735:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40735 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40737:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40737 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40737:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40737 |       if (!_v) goto check_4; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40741:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40741 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40741:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40741 |       if (!_v) goto check_5; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolAngleIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40814:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40814 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40814:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40814 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolTorsionIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40890:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40890 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40890:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40890 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolPairIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40966:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:40966:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40966 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap_new__OBMolRingIter(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41040:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41040:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41040 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_inc(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41088:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41088 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41088:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41088 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41092:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41092 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41092:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41092 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_SetType__SWIG_0(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41210:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41210 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |     ^~
/usr/lib64/perl5/CORE/perl.h:864:25: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
  864 | #   define STMT_START   do
      |                         ^~
/usr/lib64/perl5/CORE/XSUB.h:325:5: note: in expansion of macro ‘STMT_START’
  325 |     STMT_START {                                        \
      |     ^~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41210:47: note: in expansion of macro ‘XSRETURN’
41210 |     if (alloc2 == SWIG_NEWOBJ) delete[] buf2; XSRETURN(argvi); fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                               ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_SetType(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41227:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41227 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41227:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41227 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41229:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41229 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41229:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41229 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41233:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41233 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41233:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41233 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void _wrap__OBMolRingIter_IsMember(PerlInterpreter*, CV*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41282:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41282 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41282:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41282 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41284:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41284 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41284:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41284 |       if (!_v) goto check_1; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41288:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41288:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41288 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; { void *vptr = 0;
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41290:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41290 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |       ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41290:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41290 |       if (!_v) goto check_2; _ranki += _v*_pi; _rankm += _pi; _pi *= SWIG_MAXCASTRANK; if (!_index || (_ranki < _rank)) {
      |                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp: In function ‘void* _p_OpenBabel__CharPtrLessTo_p_std__binary_functionT_char_const_p_char_const_p_bool_t(void*, int*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/perl/openbabel-perl.cpp:41476:27: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
41476 |     return (void *)((std::binary_function< char const *,char const *,bool > *)  ((OpenBabel::CharPtrLess *) x));
      |                           ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 99%] Building CXX object scripts/CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/g++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE="" -D__WXGTK__ -Dbindings_ruby_EXPORTS -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/include -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data -I/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include -I/usr/include/eigen3 -I/usr/include/python3.13 -I/usr/lib64/perl5/CORE -isystem /usr/lib64/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -std=gnu++11 -fPIC -MD -MT scripts/CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o -MF CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o.d -o CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o -c /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/generic.h:31,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2207:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:228:32: warning: ‘virtual const std::string& OpenBabel::OBGenericData::GetValue() const’ was hidden [-Woverloaded-virtual=]
  228 |     virtual const std::string &GetValue()  const
      |                                ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2208:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/griddata.h:74:12: note:   by ‘double OpenBabel::OBGridData::GetValue(int, int, int) const’
   74 |     double GetValue(int i, int j, int k) const;
      |            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:287:21: warning: ‘virtual void OpenBabel::OBBase::SetTitle(const char*)’ was hidden [-Woverloaded-virtual=]
  287 |       virtual void  SetTitle(const char *) {}
      |                     ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2215:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:101:8: note:   by ‘void OpenBabel::OBReaction::SetTitle(const std::string&)’
  101 |   void SetTitle(const std::string& title) { _title=title; }
      |        ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/base.h:286:28: warning: ‘virtual const char* OpenBabel::OBBase::GetTitle(bool) const’ was hidden [-Woverloaded-virtual=]
  286 |       virtual const char  *GetTitle(bool UNUSED(replaceNewlines) = true) const { return "";}
      |                            ^~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/reaction.h:99:15: note:   by ‘std::string OpenBabel::OBReaction::GetTitle() const’
   99 |   std::string GetTitle()        const { return _title; }
      |               ^~~~~~~~
In file included from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/format.h:22,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/obconversion.h:37,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2220:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/include/openbabel/plugin.h:41:42: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
   41 | struct OBERROR CharPtrLess : public std::binary_function<const char*,const char*, bool>
      |                                          ^~~~~~~~~~~~~~~
In file included from /usr/include/c++/15/string:51,
                 from /usr/include/c++/15/stdexcept:41,
                 from /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:2190:
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_ConstIterator_next(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8665:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8665 | SWIGINTERN VALUE _wrap_ConstIterator_next(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_ConstIterator_previous(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8692:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8692 | SWIGINTERN VALUE _wrap_ConstIterator_previous(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Iterator_next(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8830:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8830 | SWIGINTERN VALUE _wrap_Iterator_next(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Iterator_previous(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:8854:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 8854 | SWIGINTERN VALUE _wrap_Iterator_previous(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorInt___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9179:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9179 |     if (!_v) goto check_1; return _wrap_VectorInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9179:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9179 |     if (!_v) goto check_1; return _wrap_VectorInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorInt___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9233:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9233 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9233:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9233 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorInt___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9234:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 9234 | SWIGINTERN VALUE _wrap_VectorInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorInt(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9375:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9375 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9375:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9375 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorUnsignedInt___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9652:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9652 |     if (!_v) goto check_1; return _wrap_VectorUnsignedInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9652:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9652 |     if (!_v) goto check_1; return _wrap_VectorUnsignedInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorUnsignedInt___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9707:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
 9707 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9707:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
 9707 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorUnsignedInt___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:9708:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
 9708 | SWIGINTERN VALUE _wrap_VectorUnsignedInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVInt___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10150:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10150 |     if (!_v) goto check_1; return _wrap_VectorVInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10150:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10150 |     if (!_v) goto check_1; return _wrap_VectorVInt___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVInt___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10212:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10212 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10212:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10212 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVInt___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10213:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
10213 | SWIGINTERN VALUE _wrap_VectorVInt___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorVInt(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10374:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10374 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10374:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10374 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorDouble___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10623:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10623 |     if (!_v) goto check_1; return _wrap_VectorDouble___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10623:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10623 |     if (!_v) goto check_1; return _wrap_VectorDouble___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorDouble___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10678:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10678 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10678:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10678 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorDouble___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10679:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
10679 | SWIGINTERN VALUE _wrap_VectorDouble___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorDouble(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10824:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10824 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10824:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10824 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___delete_2__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10993:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
10993 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:10993:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
10993 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11104:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11104 |     if (!_v) goto check_1; return _wrap_VectorString___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11104:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11104 |     if (!_v) goto check_1; return _wrap_VectorString___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11162:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11162 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11162:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11162 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11163:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
11163 | SWIGINTERN VALUE _wrap_VectorString___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorString(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11314:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11314 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11314:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11314 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorString___delete__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11354:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11354 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11354:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11354 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVector3___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11602:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11602 |     if (!_v) goto check_1; return _wrap_VectorVector3___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11602:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11602 |     if (!_v) goto check_1; return _wrap_VectorVector3___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVector3___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11662:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11662 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11662:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11662 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorVector3___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11663:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
11663 | SWIGINTERN VALUE _wrap_VectorVector3___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorVector3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11818:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
11818 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:11818:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
11818 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBMol___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12076:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12076 |     if (!_v) goto check_1; return _wrap_VectorOBMol___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12076:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12076 |     if (!_v) goto check_1; return _wrap_VectorOBMol___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBMol___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12136:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12136 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12136:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12136 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBMol___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12137:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
12137 | SWIGINTERN VALUE _wrap_VectorOBMol___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBMol(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12291:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12291 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12291:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12291 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBBond___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12548:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12548 |     if (!_v) goto check_1; return _wrap_VectorOBBond___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12548:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12548 |     if (!_v) goto check_1; return _wrap_VectorOBBond___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBBond___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12608:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12608 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12608:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12608 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBBond___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12609:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
12609 | SWIGINTERN VALUE _wrap_VectorOBBond___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12764:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
12764 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:12764:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
12764 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBResidue___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13021:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13021 |     if (!_v) goto check_1; return _wrap_VectorOBResidue___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13021:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13021 |     if (!_v) goto check_1; return _wrap_VectorOBResidue___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBResidue___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13081:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13081 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13081:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13081 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBResidue___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13082:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
13082 | SWIGINTERN VALUE _wrap_VectorOBResidue___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBResidue(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13237:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13237 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13237:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13237 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBRing___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13495:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13495 |     if (!_v) goto check_1; return _wrap_VectorOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13495:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13495 |     if (!_v) goto check_1; return _wrap_VectorOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBRing___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13555:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13555 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13555:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13555 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorOBRing___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13556:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
13556 | SWIGINTERN VALUE _wrap_VectorOBRing___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorOBRing(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13711:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13711 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13711:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13711 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBRing___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
13967 |     if (!_v) goto check_1; return _wrap_VectorpOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:13967:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
13967 |     if (!_v) goto check_1; return _wrap_VectorpOBRing___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBRing___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14026:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14026 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14026:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14026 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBRing___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14027:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
14027 | SWIGINTERN VALUE _wrap_VectorpOBRing___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_VectorpOBRing(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14181:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14181 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14181:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14181 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBGenericData___getitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14444:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14444 |     if (!_v) goto check_1; return _wrap_VectorpOBGenericData___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14444:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14444 |     if (!_v) goto check_1; return _wrap_VectorpOBGenericData___getitem____SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBGenericData___setitem____SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14505:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
14505 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14505:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
14505 |   if (SWIG_IsNewObj(res4)) delete arg4; return vresult; fail: if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_VectorpOBGenericData___setitem__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:14506:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
14506 | SWIGINTERN VALUE _wrap_VectorpOBGenericData___setitem__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_set_from_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15146:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15146 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15146:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15146 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_set_to_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15158:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15158 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15158:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15158 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_translate__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15173:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15173 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15173:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15173 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15174:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15174 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15174:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15174 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTypeTable_translate__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15193:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15193 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15193:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15193 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_set_res_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15271:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15271 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15271:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15271 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_bo__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15285:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15285 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15285:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15285 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_bo__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15303:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15303 |   if (SWIG_IsNewObj(res3)) delete arg3; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15303:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15303 |   if (SWIG_IsNewObj(res3)) delete arg3; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15304:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15304 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15304:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15304 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_bo(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15305:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15305 | SWIGINTERN VALUE _wrap_OBResidueData_lookup_bo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueData_lookup_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15333:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15333 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15333:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15333 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSqrtTbl(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15431:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15431 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15431:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15431 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15430:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15430 | SWIGINTERN VALUE _wrap_new_OBSqrtTbl(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_Vector3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15552:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15552 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15552:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15552 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15557:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15557 |      if (!_v) goto check_3; return _wrap_new_Vector3__SWIG_5(nargs, args, self);}  check_3: if (argc == 1) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15557:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15557 |      if (!_v) goto check_3; return _wrap_new_Vector3__SWIG_5(nargs, args, self);}  check_3: if (argc == 1) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_begin(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15622:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15622 | SWIGINTERN VALUE _wrap_Vector3_begin(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_end(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15646:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15646 | SWIGINTERN VALUE _wrap_Vector3_end(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15674:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15674 | SWIGINTERN VALUE _wrap_Vector3_set(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_add(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15782:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
15782 |      if (!_v) goto check_1; return _wrap_Vector3_add__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15782:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
15782 |      if (!_v) goto check_1; return _wrap_Vector3_add__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_x(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15862:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15862 | SWIGINTERN VALUE _wrap_Vector3_x(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_y(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15875:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15875 | SWIGINTERN VALUE _wrap_Vector3_y(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Vector3_z(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:15888:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
15888 | SWIGINTERN VALUE _wrap_Vector3_z(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_Matrix3x3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16343:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16343 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16343:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16343 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_Matrix3x3___call__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16392:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
16392 | SWIGINTERN VALUE _wrap_Matrix3x3___call__(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap___mul__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16630:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16630 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16630:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16630 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16638:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16638 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(nargs, args, self);}  check_2: if (argc == 2) { int _v = 0; {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16638:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16638 |      if (!_v) goto check_2; return _wrap___mul____SWIG_2(nargs, args, self);}  check_2: if (argc == 2) { int _v = 0; {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBBitVec(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16726:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16726 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16726:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16726 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBitVec_first_bit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16805:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
16805 | SWIGINTERN VALUE _wrap_OBBitVec_first_bit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBitVec_from_vec_int(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16897:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
16897 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:16897:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
16897 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap___sub__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17079:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17079 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17079:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17079 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17082:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17082 |      if (!_v) goto check_2; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17082:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17082 |      if (!_v) goto check_2; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17084:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17084 |      if (!_v) goto check_2; return _wrap___sub____SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17084:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17084 |      if (!_v) goto check_2; return _wrap___sub____SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBGenericData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17262:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17262 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17262:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17262 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17261:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17261 | SWIGINTERN VALUE _wrap_new_OBGenericData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGenericData_set_attribute(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17302:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17302 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17302:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17302 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17405:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17405 | SWIGINTERN VALUE _wrap_OBBase_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17433:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17433 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17433:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17433 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17445:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17445 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17445:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17445 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17512:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17512 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17512:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17512 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17517:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17517 |     if (!_v) goto check_1; return _wrap_OBBase_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) { int _v = 0; {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17517:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17517 |     if (!_v) goto check_1; return _wrap_OBBase_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) { int _v = 0; {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17522:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17522 |     if (!_v) goto check_3; return _wrap_OBBase_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17522:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17522 |     if (!_v) goto check_3; return _wrap_OBBase_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17570:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17570 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17570:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17570 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBase_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17582:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17582 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17582:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17582 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBCommentData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17692:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17692 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17692:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17692 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17691:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17691 | SWIGINTERN VALUE _wrap_new_OBCommentData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBCommentData_set_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17709:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17709 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17709:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17709 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBCommentData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17724:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17724 |     if (!_v) goto check_1; return _wrap_OBCommentData_set_data__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17724:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17724 |     if (!_v) goto check_1; return _wrap_OBCommentData_set_data__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBExternalBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17785:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17785 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17785:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17785 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17784:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
17784 | SWIGINTERN VALUE _wrap_new_OBExternalBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPairData_set_value__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17944:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17944 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17944:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17944 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPairData_set_value(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17948:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
17948 |     if (!_v) goto check_1; return _wrap_OBPairData_set_value__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:17948:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
17948 |     if (!_v) goto check_1; return _wrap_OBPairData_set_value__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSetData_get_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18009:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18009 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18009:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18009 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSetData_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18023:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18023 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18023:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18023 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBVirtualBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18122:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18122 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18122:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18122 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18121:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18121 | SWIGINTERN VALUE _wrap_new_OBVirtualBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBRingData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18194:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18194 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18194:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18194 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18193:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18193 | SWIGINTERN VALUE _wrap_new_OBRingData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBUnitCell(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18315:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18315 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18315:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18315 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18314:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18314 | SWIGINTERN VALUE _wrap_new_OBUnitCell(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18383:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18383 | SWIGINTERN VALUE _wrap_OBUnitCell_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_set_space_group(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18439:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
18439 |     if (!_v) goto check_2; return _wrap_OBUnitCell_set_space_group__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18439:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
18439 |     if (!_v) goto check_2; return _wrap_OBUnitCell_set_space_group__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_a(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18481:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18481 | SWIGINTERN VALUE _wrap_OBUnitCell_get_a(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_b(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18502:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18502 | SWIGINTERN VALUE _wrap_OBUnitCell_get_b(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_c(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18523:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18523 | SWIGINTERN VALUE _wrap_OBUnitCell_get_c(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_alpha(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18545:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18545 | SWIGINTERN VALUE _wrap_OBUnitCell_get_alpha(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_beta(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18567:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18567 | SWIGINTERN VALUE _wrap_OBUnitCell_get_beta(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_gamma(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18590:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18590 | SWIGINTERN VALUE _wrap_OBUnitCell_get_gamma(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_offset(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18614:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18614 | SWIGINTERN VALUE _wrap_OBUnitCell_get_offset(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_space_group(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18639:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18639 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_space_group_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18663:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18663 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group_name(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_lattice_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18709:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18709 | SWIGINTERN VALUE _wrap_OBUnitCell_get_lattice_type(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_cell_vectors(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18738:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18738 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_vectors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_cell_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18763:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18763 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_ortho_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18787:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18787 | SWIGINTERN VALUE _wrap_OBUnitCell_get_ortho_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_orientation_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18813:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18813 | SWIGINTERN VALUE _wrap_OBUnitCell_get_orientation_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_fractional_matrix(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18839:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18839 | SWIGINTERN VALUE _wrap_OBUnitCell_get_fractional_matrix(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_fractional_to_cartesian(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18876:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18876 | SWIGINTERN VALUE _wrap_OBUnitCell_fractional_to_cartesian(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_cartesian_to_fractional(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18913:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18913 | SWIGINTERN VALUE _wrap_OBUnitCell_cartesian_to_fractional(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_wrap_cartesian_coordinate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18950:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18950 | SWIGINTERN VALUE _wrap_OBUnitCell_wrap_cartesian_coordinate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_wrap_fractional_coordinate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:18987:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
18987 | SWIGINTERN VALUE _wrap_OBUnitCell_wrap_fractional_coordinate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_unwrap_cartesian_near(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19036:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19036 | SWIGINTERN VALUE _wrap_OBUnitCell_unwrap_cartesian_near(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_unwrap_fractional_near(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19086:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19086 | SWIGINTERN VALUE _wrap_OBUnitCell_unwrap_fractional_near(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_minimum_image_cartesian(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19124:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19124 | SWIGINTERN VALUE _wrap_OBUnitCell_minimum_image_cartesian(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_minimum_image_fractional(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19161:114: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19161 | SWIGINTERN VALUE _wrap_OBUnitCell_minimum_image_fractional(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_space_group_number(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19206:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19206 | SWIGINTERN VALUE _wrap_OBUnitCell_get_space_group_number(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBUnitCell_get_cell_volume(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19233:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19233 | SWIGINTERN VALUE _wrap_OBUnitCell_get_cell_volume(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBConformerData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19267:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19267 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19267:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19267 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19266:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19266 | SWIGINTERN VALUE _wrap_new_OBConformerData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSymmetryData(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19449:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19449 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19449:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19449 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19448:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19448 | SWIGINTERN VALUE _wrap_new_OBSymmetryData(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSymmetryData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19482:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19482 | SWIGINTERN VALUE _wrap_OBSymmetryData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBTorsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19549:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19549 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19549:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19549 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19548:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19548 | SWIGINTERN VALUE _wrap_new_OBTorsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTorsion_add_torsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19611:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19611 | SWIGINTERN VALUE _wrap_OBTorsion_add_torsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTorsion_set_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19643:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19643 | SWIGINTERN VALUE _wrap_OBTorsion_set_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBTorsion_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19687:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19687 | SWIGINTERN VALUE _wrap_OBTorsion_get_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBAngle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19820:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
19820 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19820:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
19820 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19819:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19819 | SWIGINTERN VALUE _wrap_new_OBAngle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAngle_set_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19904:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19904 | SWIGINTERN VALUE _wrap_OBAngle_set_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAngleData_fill_angle_array(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:19954:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
19954 | SWIGINTERN VALUE _wrap_OBAngleData_fill_angle_array(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSerialNums(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20015:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20015 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20015:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20015 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20014:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20014 | SWIGINTERN VALUE _wrap_new_OBSerialNums(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVibrationData_set_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20103:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20103 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20103:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20103 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20104:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20104 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20104:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20104 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVibrationData_set_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20139:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20139 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20139:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20139 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVibrationData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20142:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20142 | SWIGINTERN VALUE _wrap_OBVibrationData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDOSData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20250:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20250 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20250:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20250 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOrbital_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20328:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20328 | SWIGINTERN VALUE _wrap_OBOrbital_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOrbitalData_set_homo(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20455:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20455 | SWIGINTERN VALUE _wrap_OBOrbitalData_set_homo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20616:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20616 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20616:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20616 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20617:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20617 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20617:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20617 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_edipole(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20631:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20631 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20631:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20631 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_rotatory_strengths_velocity(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20645:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20645 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20645:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20645 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBElectronicTransitionData_set_rotatory_strengths_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20659:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20659 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20659:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20659 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBVectorData_set_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20827:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20827 | SWIGINTERN VALUE _wrap_OBVectorData_set_data(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBFreeGridPoint(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20920:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
20920 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20920:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
20920 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:20919:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
20919 | SWIGINTERN VALUE _wrap_new_OBFreeGridPoint(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_axes(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21254:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21254 |     if (!_v) goto check_1; return _wrap_OBGridData_get_axes__SWIG_0(nargs, args, self);}  check_1: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21254:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21254 |     if (!_v) goto check_1; return _wrap_OBGridData_get_axes__SWIG_0(nargs, args, self);}  check_1: if (argc == 4) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_number_of_points(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21290:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21290 | SWIGINTERN VALUE _wrap_OBGridData_get_number_of_points(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_value(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21345:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21345 | SWIGINTERN VALUE _wrap_OBGridData_get_value(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_get_origin_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21398:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21398 | SWIGINTERN VALUE _wrap_OBGridData_get_origin_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_set_limits(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21501:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21501 |      if (!_v) goto check_1; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21501:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21501 |      if (!_v) goto check_1; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21503:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21503 |      if (!_v) goto check_1; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21503:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21503 |      if (!_v) goto check_1; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21505:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21505 |      if (!_v) goto check_1; { void *vptr = 0;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21505:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21505 |      if (!_v) goto check_1; { void *vptr = 0;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21507:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21507 |      if (!_v) goto check_1; return _wrap_OBGridData_set_limits__SWIG_0(nargs, args, self);}  check_1: if (argc == 5) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21507:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21507 |      if (!_v) goto check_1; return _wrap_OBGridData_set_limits__SWIG_0(nargs, args, self);}  check_1: if (argc == 5) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBGridData_set_values(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21543:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21543 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21543:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21543 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_Dummy(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21584:8: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21584 |   std::binary_function< char const *,char const *,bool > *result = 0 ; if ((argc < 0) || (argc > 0)) {
      |        ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21586:18: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21586 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                  ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21586:79: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21586 |   result = (std::binary_function< char const *,char const *,bool > *)new std::binary_function< char const *,char const *,bool >();
      |                                                                               ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘void free_std_binary_function_Sl_char_SS_const_Sm__Sc_char_SS_const_Sm__Sc_bool_Sg_(void*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21590:10: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21590 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *)self;
      |          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21590:74: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
21590 |     std::binary_function< char const *,char const *,bool > *arg1 = (std::binary_function< char const *,char const *,bool > *)self;
      |                                                                          ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_CharPtrLess___call__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21611:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21611 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21611:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21611 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21612:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21612 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21612:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21612 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_display__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21676:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21676 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21676:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21676 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21677:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21677 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21677:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21677 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_display__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21695:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21695 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21695:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21695 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_display(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21696:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21696 | SWIGINTERN VALUE _wrap_OBPlugin_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_make_instance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21717:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21717 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21717:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21717 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_get_plugin(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21735:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21735 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21735:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21735 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21736:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21736 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21736:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21736 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list_as_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21762:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21762 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21762:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21762 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21763:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21763 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21763:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21763 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21776:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21776 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21776:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21776 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21777:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21777 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21777:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21777 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21786:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21786 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21786:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21786 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21787:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21787 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21787:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21787 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21794:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21794 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21794:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21794 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21796:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21796 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21796:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21796 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21795:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21795 | SWIGINTERN VALUE _wrap_OBPlugin_list(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list_as_string__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21813:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21813 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21813:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21813 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21814:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21814 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21814:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21814 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_list_as_string(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21823:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
21823 | SWIGINTERN VALUE _wrap_OBPlugin_list_as_string(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_begin(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21847:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21847 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21847:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21847 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPlugin_end(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21857:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21857 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21857:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21857 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21925:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21925 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21925:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21925 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21927:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21927 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21927:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21927 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21955:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21955 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21955:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21955 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return self;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21957:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21957 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21957:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21957 |   if (SWIG_IsNewObj(res4)) delete arg4; if (SWIG_IsNewObj(res5)) delete arg5; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21981:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21981 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return self; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21981:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21981 |   if (SWIG_IsNewObj(res3)) delete arg3; if (SWIG_IsNewObj(res4)) delete arg4; return self; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21982:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21982 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21982:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21982 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3;
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21983:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
21983 |   if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:21983:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
21983 |   if (SWIG_IsNewObj(res4)) delete arg4; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22003:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22003 |   if (SWIG_IsNewObj(res3)) delete arg3; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22003:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22003 |   if (SWIG_IsNewObj(res3)) delete arg3; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22004:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22004 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22004:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22004 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_4(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22019:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22019 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22019:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22019 |   if (SWIG_IsNewObj(res1)) delete arg1; if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError__SWIG_5(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22028:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22028 |   if (SWIG_IsNewObj(res1)) delete arg1; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22028:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22028 |   if (SWIG_IsNewObj(res1)) delete arg1; return self; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBError(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22044:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22044 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22044:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22044 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22043:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22043 | SWIGINTERN VALUE _wrap_new_OBError(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap___lshift__(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22092:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22092 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22092:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22092 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) { int _v = 0; {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMessageHandler_throw_error__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22258:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22258 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22258:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22258 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22259:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22259 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22259:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22259 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMessageHandler_throw_error__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22279:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22279 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22279:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22279 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22280:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22280 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22280:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22280 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMessageHandler_throw_error__SWIG_4(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22297:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22297 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22297:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22297 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail:
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22298:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22298 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22298:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22298 |   if (SWIG_IsNewObj(res2)) delete arg2; if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22511:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22511 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22511:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22511 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_register_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22641:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22641 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22641:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22641 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22642:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22642 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22642:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22642 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_register_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22654:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22654 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22654:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22654 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_register_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22655:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22655 | SWIGINTERN VALUE _wrap_OBFormat_register_format(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_display__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22681:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22681 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22681:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22681 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22682:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22682 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22682:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22682 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_display__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22700:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22700 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22700:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22700 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_display(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22701:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22701 | SWIGINTERN VALUE _wrap_OBFormat_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFormat_format_from_mime(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22715:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22715 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22715:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22715 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBConversion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22786:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22786 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22786:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22786 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22795:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22795 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(nargs, args, self);}  check_5: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22795:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22795 |     if (!_v) goto check_5; return _wrap_new_OBConversion__SWIG_0(nargs, args, self);}  check_5: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22821:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22821 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22821:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22821 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22822:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22822 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22822:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22822 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22835:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22835 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22835:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22835 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22836:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22836 | SWIGINTERN VALUE _wrap_OBConversion_register_format(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_find_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22851:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22851 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22851:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22851 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_format_from_ext__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22877:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22877 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22877:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22877 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_format_from_ext__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22892:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22892 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22892:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22892 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_format_from_mime(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22937:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
22937 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22937:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
22937 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_stream(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:22982:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
22982 | SWIGINTERN VALUE _wrap_OBConversion_set_in_stream(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_stream(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23011:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23011 | SWIGINTERN VALUE _wrap_OBConversion_set_out_stream(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23036:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23036 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23036:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23036 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23037:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23037 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23037:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23037 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23054:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23054 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23054:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23054 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23055:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23055 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23055:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23055 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23070:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23070 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23070:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23070 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23071:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23071 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23071:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23071 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_and_out_formats(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23129:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23129 |     if (!_v) goto check_1; return _wrap_OBConversion_set_in_and_out_formats__SWIG_5(nargs, args, self);}  check_1:
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23129:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23129 |     if (!_v) goto check_1; return _wrap_OBConversion_set_in_and_out_formats__SWIG_5(nargs, args, self);}  check_1:
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23132:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23132 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23132:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23132 |     if (!_v) goto check_3; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23137:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23137 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23137:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23137 |     if (!_v) goto check_5; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBFormat, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23161:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23161 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23161:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23161 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23173:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23173 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23173:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23173 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_in_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23205:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23205 |     if (!_v) goto check_3; return _wrap_OBConversion_set_in_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23205:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23205 |     if (!_v) goto check_3; return _wrap_OBConversion_set_in_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_format__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23225:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23225 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23225:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23225 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_format__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23237:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23237 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23237:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23237 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_out_format(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23269:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23269 |     if (!_v) goto check_3; return _wrap_OBConversion_set_out_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23269:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23269 |     if (!_v) goto check_3; return _wrap_OBConversion_set_out_format__SWIG_2(nargs, args, self);}  check_3: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_is_option__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23392:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23392 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23392:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23392 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_is_option__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23404:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23404 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23404:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23404 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_is_option(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23405:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23405 | SWIGINTERN VALUE _wrap_OBConversion_is_option(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_add_option__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23443:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23443 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; fail:
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23443:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23443 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; fail:
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23444:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23444 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23444:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23444 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_add_option__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23458:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23458 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23458:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23458 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_add_option(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23470:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23470 | SWIGINTERN VALUE _wrap_OBConversion_add_option(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_remove_option(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23493:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23493 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23493:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23493 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_options(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23507:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
23507 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23507:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
23507 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_register_option_param(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23545:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23545 | SWIGINTERN VALUE _wrap_OBConversion_register_option_param(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_copy_options(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23589:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23589 | SWIGINTERN VALUE _wrap_OBConversion_copy_options(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_convert(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23637:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23637 | SWIGINTERN VALUE _wrap_OBConversion_convert(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_first_input(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23720:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23720 | SWIGINTERN VALUE _wrap_OBConversion_set_first_input(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_set_one_object_only(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23765:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23765 | SWIGINTERN VALUE _wrap_OBConversion_set_one_object_only(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_write(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23829:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23829 | SWIGINTERN VALUE _wrap_OBConversion_write(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_write_string(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23861:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23861 | SWIGINTERN VALUE _wrap_OBConversion_write_string(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_read(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23914:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23914 | SWIGINTERN VALUE _wrap_OBConversion_read(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBConversion_report_number_converted(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:23988:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
23988 | SWIGINTERN VALUE _wrap_OBConversion_report_number_converted(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBResidue(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24030:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24030 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24030:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24030 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24029:92: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24029 | SWIGINTERN VALUE _wrap_new_OBResidue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_set_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24082:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24082 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24082:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24082 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_set_num(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24105:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24105 |     if (!_v) goto check_1; return _wrap_OBResidue_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24105:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24105 |     if (!_v) goto check_1; return _wrap_OBResidue_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_set_atom_id(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24160:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24160 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24160:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24160 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidue_get_bonds(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24282:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24282 | SWIGINTERN VALUE _wrap_OBResidue_get_bonds(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBInternalCoord(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24656:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24656 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24656:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24656 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24655:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24655 | SWIGINTERN VALUE _wrap_new_OBInternalCoord(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_get_exact_mass(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24715:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
24715 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24715:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
24715 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:24714:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
24714 | SWIGINTERN VALUE _wrap_get_exact_mass(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25424:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25424 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25424:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25424 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25428:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25428 |     if (!_v) goto check_1; return _wrap_OBAtom_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25428:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25428 |     if (!_v) goto check_1; return _wrap_OBAtom_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25481:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25481 | SWIGINTERN VALUE _wrap_OBAtom_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25523:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25523 | SWIGINTERN VALUE _wrap_OBAtom_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25543:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25543 | SWIGINTERN VALUE _wrap_OBAtom_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25778:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
25778 | SWIGINTERN VALUE _wrap_OBAtom_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25954:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25954 |     if (!_v) goto check_2; return _wrap_OBAtom_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25954:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25954 |     if (!_v) goto check_2; return _wrap_OBAtom_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25991:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
25991 |     if (!_v) goto check_1; return _wrap_OBAtom_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:25991:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
25991 |     if (!_v) goto check_1; return _wrap_OBAtom_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26114:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26114 | SWIGINTERN VALUE _wrap_OBAtom_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26389:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26389 | SWIGINTERN VALUE _wrap_OBAtom_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtom_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26463:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
26463 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26463:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
26463 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26574:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26574 | SWIGINTERN VALUE _wrap_OBBond_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26615:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26615 | SWIGINTERN VALUE _wrap_OBBond_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26635:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26635 | SWIGINTERN VALUE _wrap_OBBond_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26654:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26654 | SWIGINTERN VALUE _wrap_OBBond_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26673:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26673 | SWIGINTERN VALUE _wrap_OBBond_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26693:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26693 | SWIGINTERN VALUE _wrap_OBBond_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26713:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26713 | SWIGINTERN VALUE _wrap_OBBond_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26786:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26786 | SWIGINTERN VALUE _wrap_OBBond_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26811:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26811 | SWIGINTERN VALUE _wrap_OBBond_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBond_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:26904:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
26904 | SWIGINTERN VALUE _wrap_OBBond_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMol(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27027:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27027 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27027:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27027 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27026:88: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27026 | SWIGINTERN VALUE _wrap_new_OBMol(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27116:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27116 | SWIGINTERN VALUE _wrap_OBMol_add_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27198:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27198 | SWIGINTERN VALUE _wrap_OBMol_add_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[7]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_new_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27242:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27242 | SWIGINTERN VALUE _wrap_OBMol_new_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_new_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27268:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27268 | SWIGINTERN VALUE _wrap_OBMol_new_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27306:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27306 | SWIGINTERN VALUE _wrap_OBMol_delete_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27338:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27338 | SWIGINTERN VALUE _wrap_OBMol_delete_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_residue(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27370:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27370 | SWIGINTERN VALUE _wrap_OBMol_delete_residue(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_end_modify(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27397:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27397 | SWIGINTERN VALUE _wrap_OBMol_end_modify(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27445:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27445 | SWIGINTERN VALUE _wrap_OBMol_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_num_rotors(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27495:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27495 | SWIGINTERN VALUE _wrap_OBMol_num_rotors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27589:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27589 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27589:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27589 |     if (!_v) goto check_2; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[2], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_torsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27661:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27661 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[3], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27661:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27661 |     if (!_v) goto check_1; { void *vptr = 0; int res = SWIG_ConvertPtr(argv[3], &vptr, SWIGTYPE_p_OpenBabel__OBAtom, 0);
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27664:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
27664 |     if (!_v) goto check_1; return _wrap_OBMol_get_torsion__SWIG_1(nargs, args, self);}  check_1: if (argc == 5) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27664:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
27664 |     if (!_v) goto check_1; return _wrap_OBMol_get_torsion__SWIG_1(nargs, args, self);}  check_1: if (argc == 5) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_spaced_formula(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27755:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27755 | SWIGINTERN VALUE _wrap_OBMol_get_spaced_formula(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_mol_wt(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27789:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27789 | SWIGINTERN VALUE _wrap_OBMol_get_mol_wt(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_exact_mass(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:27811:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
27811 | SWIGINTERN VALUE _wrap_OBMol_get_exact_mass(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_aromatic_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28000:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28000 | SWIGINTERN VALUE _wrap_OBMol_set_aromatic_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_sssrperceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28020:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28020 | SWIGINTERN VALUE _wrap_OBMol_set_sssrperceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_lssrperceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28040:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28040 | SWIGINTERN VALUE _wrap_OBMol_set_lssrperceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_ring_atoms_and_bonds_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28061:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28061 | SWIGINTERN VALUE _wrap_OBMol_set_ring_atoms_and_bonds_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_atom_types_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28082:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28082 | SWIGINTERN VALUE _wrap_OBMol_set_atom_types_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_ring_types_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28102:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28102 | SWIGINTERN VALUE _wrap_OBMol_set_ring_types_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_chains_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28122:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28122 | SWIGINTERN VALUE _wrap_OBMol_set_chains_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_chirality_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28142:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28142 | SWIGINTERN VALUE _wrap_OBMol_set_chirality_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_partial_charges_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28162:114: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28162 | SWIGINTERN VALUE _wrap_OBMol_set_partial_charges_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_hybridization_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28183:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28183 | SWIGINTERN VALUE _wrap_OBMol_set_hybridization_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_closure_bonds_perceived(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28203:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28203 | SWIGINTERN VALUE _wrap_OBMol_set_closure_bonds_perceived(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_hydrogens_added(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28223:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28223 | SWIGINTERN VALUE _wrap_OBMol_set_hydrogens_added(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_corrected_for_ph(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28243:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28243 | SWIGINTERN VALUE _wrap_OBMol_set_corrected_for_ph(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_spin_multiplicity_assigned(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28263:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28263 | SWIGINTERN VALUE _wrap_OBMol_set_spin_multiplicity_assigned(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_is_pattern_structure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28284:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28284 | SWIGINTERN VALUE _wrap_OBMol_set_is_pattern_structure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_is_reaction(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28304:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28304 | SWIGINTERN VALUE _wrap_OBMol_set_is_reaction(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_set_periodic_mol(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28324:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28324 | SWIGINTERN VALUE _wrap_OBMol_set_periodic_mol(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_to_inertial_frame(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28429:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28429 | SWIGINTERN VALUE _wrap_OBMol_to_inertial_frame(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_translate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28462:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28462 | SWIGINTERN VALUE _wrap_OBMol_translate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_delete_hydrogens(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28532:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28532 | SWIGINTERN VALUE _wrap_OBMol_delete_hydrogens(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_hydrogens(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28621:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
28621 |     if (!_v) goto check_2; return _wrap_OBMol_add_hydrogens__SWIG_4(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28621:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
28621 |     if (!_v) goto check_2; return _wrap_OBMol_add_hydrogens__SWIG_4(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_add_new_hydrogens(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28680:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28680 | SWIGINTERN VALUE _wrap_OBMol_add_new_hydrogens(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_strip_salts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28707:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28707 | SWIGINTERN VALUE _wrap_OBMol_strip_salts(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_separate(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28733:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28733 | SWIGINTERN VALUE _wrap_OBMol_separate(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_copy_substructure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28885:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28885 | SWIGINTERN VALUE _wrap_OBMol_copy_substructure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_correct_for_ph(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28936:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28936 | SWIGINTERN VALUE _wrap_OBMol_correct_for_ph(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_assign_spin_multiplicity(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28959:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28959 | SWIGINTERN VALUE _wrap_OBMol_assign_spin_multiplicity(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_center(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:28986:91: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
28986 | SWIGINTERN VALUE _wrap_OBMol_center(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_find_children(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29074:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29074 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_1;
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29074:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29074 |      if (!_v) goto check_1; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_1;
      |                             ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_has_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29213:91: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
29213 | SWIGINTERN VALUE _wrap_OBMol_has_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMol_get_energy(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29451:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
29451 | SWIGINTERN VALUE _wrap_OBMol_get_energy(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs + 1;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_throw_error(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29701 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) { int _v = 0; {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29701:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29701 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) { int _v = 0; {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRing__path_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29839:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29839 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29839:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29839 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBRing(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29923:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29923 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29923:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29923 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRing_set_type__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29964:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
29964 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:29964:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
29964 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBSmartsPattern(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30281:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30281 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30281:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30281 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30280:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30280 | SWIGINTERN VALUE _wrap_new_OBSmartsPattern(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsPattern_init__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30297:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30297 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30297:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30297 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsPattern_init__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30311:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30311 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30311:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30311 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsPattern_init(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30315:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30315 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_init__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30315:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30315 |     if (!_v) goto check_1; return _wrap_OBSmartsPattern_init__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSmartsMatcher_match(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30764:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30764 | SWIGINTERN VALUE _wrap_OBSmartsMatcher_match(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBSSMatch_match(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30837:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30837 | SWIGINTERN VALUE _wrap_OBSSMatch_match(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_AliasData_set_alias__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30891:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30891 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30891:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30891 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_AliasData_set_alias(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30906:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
30906 |     if (!_v) goto check_1; return _wrap_AliasData_set_alias__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30906:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
30906 |     if (!_v) goto check_1; return _wrap_AliasData_set_alias__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_AliasData_get_alias(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:30928:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
30928 | SWIGINTERN VALUE _wrap_AliasData_get_alias(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31005:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31005 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31005:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31005 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_get_bit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31046:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31046 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31046:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31046 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_get_fingerprint(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31102:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31102 | SWIGINTERN VALUE _wrap_OBFingerprint_get_fingerprint(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_tanimoto__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31147:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31147 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31147:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31147 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1;
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31148:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31148 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31148:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31148 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_tanimoto__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31163:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31163 |   if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31163:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31163 |   if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_tanimoto(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31167:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31167 |     if (!_v) goto check_1; return _wrap_OBFingerprint_tanimoto__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31167:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31167 |     if (!_v) goto check_1; return _wrap_OBFingerprint_tanimoto__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFingerprint_find_fingerprint(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31186:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31186 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31186:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31186 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_FptIndexHeader_fpid_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31253:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
31253 |   else memset(arg1->fpid,0,15*sizeof(char)); return Qnil; fail: return Qnil; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31253:46: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
31253 |   else memset(arg1->fpid,0,15*sizeof(char)); return Qnil; fail: return Qnil; }
      |                                              ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_FptIndexHeader_datafilename_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31290:3: warning: this ‘else’ clause does not guard... [-Wmisleading-indentation]
31290 |   else memset(arg1->datafilename,0,256*sizeof(char)); return Qnil; fail: return Qnil; }
      |   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31290:55: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘else’
31290 |   else memset(arg1->datafilename,0,256*sizeof(char)); return Qnil; fail: return Qnil; }
      |                                                       ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_FastSearchIndexer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31629:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31629 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31629:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31629 |     if (!_v) goto check_2; { { int res = SWIG_AsVal_int(argv[2], NULL); _v = SWIG_CheckState(res); } }  if (!_v) goto check_2;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBDescriptor__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31680:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31680 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31680:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31680 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBDescriptor__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31699:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31699 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31699:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31699 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBDescriptor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31701:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31701 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31701:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31701 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31700:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31700 | SWIGINTERN VALUE _wrap_new_OBDescriptor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31713:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31713 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31713:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31713 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_predict(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31740:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31740 | SWIGINTERN VALUE _wrap_OBDescriptor_predict(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_predict_and_save(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31773:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31773 | SWIGINTERN VALUE _wrap_OBDescriptor_predict_and_save(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_get_string_value(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31817:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31817 | SWIGINTERN VALUE _wrap_OBDescriptor_get_string_value(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_compare(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31866:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31866 | SWIGINTERN VALUE _wrap_OBDescriptor_compare(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_display__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31892:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31892 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31892:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31892 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc3 == SWIG_NEWOBJ) delete[] buf3;
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31893:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31893 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31893:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31893 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_display__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31911:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31911 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31911:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31911 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_display(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31912:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
31912 | SWIGINTERN VALUE _wrap_OBDescriptor_display(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_order(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31949:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31949 |     if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[2], NULL); _v = SWIG_CheckState(res); } }
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31949:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31949 |     if (!_v) goto check_1; { { int res = SWIG_AsVal_double(argv[2], NULL); _v = SWIG_CheckState(res); } }
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31950:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31950 |     if (!_v) goto check_1; return _wrap_OBDescriptor_order__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31950:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31950 |     if (!_v) goto check_1; return _wrap_OBDescriptor_order__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_add_properties(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31981:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31981 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31981:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31981 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBDescriptor_delete_properties(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31994:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
31994 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:31994:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
31994 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__a_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32130:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32130 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32130:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32130 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__b_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32151:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32151 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32151:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32151 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__c_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32172:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32172 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32172:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32172 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__d_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32193:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32193 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32193:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32193 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__ipar_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32215:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32215 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32215:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32215 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBFFParameter__dpar_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32238:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
32238 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:32238:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
32238 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33366:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33366 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33366:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33366 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_find_force_field__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33391:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33391 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33391:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33391 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_find_force_field__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33400:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33400 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33400:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33400 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_setup(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33470:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33470 | SWIGINTERN VALUE _wrap_OBForceField_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_get_grid(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33659:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
33659 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33659:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
33659 |   if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return vresult; fail: if (alloc4 == SWIG_NEWOBJ) delete[] buf4; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_get_gradient(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33864:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33864 | SWIGINTERN VALUE _wrap_OBForceField_get_gradient(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_energy(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33898:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33898 | SWIGINTERN VALUE _wrap_OBForceField_energy(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_bond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33923:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33923 | SWIGINTERN VALUE _wrap_OBForceField_e_bond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33948:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33948 | SWIGINTERN VALUE _wrap_OBForceField_e_angle(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_str_bnd(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33973:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33973 | SWIGINTERN VALUE _wrap_OBForceField_e_str_bnd(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_torsion(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:33998:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
33998 | SWIGINTERN VALUE _wrap_OBForceField_e_torsion(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_oop(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34023:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34023 | SWIGINTERN VALUE _wrap_OBForceField_e_oop(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_vdw(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34048:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34048 | SWIGINTERN VALUE _wrap_OBForceField_e_vdw(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_e_electrostatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34073:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34073 | SWIGINTERN VALUE _wrap_OBForceField_e_electrostatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_obfflog(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34156:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34156 |     if (!_v) goto check_1; return _wrap_OBForceField_obfflog__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34156:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34156 |     if (!_v) goto check_1; return _wrap_OBForceField_obfflog__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_systematic_rotor_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34195:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34195 | SWIGINTERN VALUE _wrap_OBForceField_systematic_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_systematic_rotor_search_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34237:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34237 |   VALUE argv[4]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 4) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_systematic_rotor_search_next_conformer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34266:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34266 |   VALUE argv[3]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 3) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_random_rotor_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34309:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34309 | SWIGINTERN VALUE _wrap_OBForceField_random_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_random_rotor_search_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34355:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34355 |   VALUE argv[5]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 5) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_random_rotor_search_next_conformer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34384:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34384 |   VALUE argv[3]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 3) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_weighted_rotor_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34417:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34417 | SWIGINTERN VALUE _wrap_OBForceField_weighted_rotor_search(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_line_search(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34479:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
34479 |      if (!_v) goto check_1; return _wrap_OBForceField_line_search__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34479:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
34479 |      if (!_v) goto check_1; return _wrap_OBForceField_line_search__SWIG_0(nargs, args, self);}  check_1: if (argc == 3) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_steepest_descent(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34545:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34545 | SWIGINTERN VALUE _wrap_OBForceField_steepest_descent(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_steepest_descent_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34596:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34596 | SWIGINTERN VALUE _wrap_OBForceField_steepest_descent_initialize(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_conjugate_gradients(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34653:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34653 | SWIGINTERN VALUE _wrap_OBForceField_conjugate_gradients(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_conjugate_gradients_initialize(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34705:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34705 |   VALUE argv[5]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 5) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_molecular_dynamics_take_nsteps(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34783:9: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34783 |   VALUE argv[6]; int ii; argc = nargs + 1; argv[0] = self; if (argc > 6) SWIG_fail; for (ii = 1; (ii < argc); ++ii) {
      |         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_ignore_calculation(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:34880:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
34880 | SWIGINTERN VALUE _wrap_OBForceField_ignore_calculation(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_vector_angle_derivative(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35069:115: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35069 | SWIGINTERN VALUE _wrap_OBForceField_vector_angle_derivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6];
      |                                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_vector_oopderivative(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35137:112: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35137 | SWIGINTERN VALUE _wrap_OBForceField_vector_oopderivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8]; int ii;
      |                                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBForceField_vector_torsion_derivative(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35205:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35205 | SWIGINTERN VALUE _wrap_OBForceField_vector_torsion_derivative(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[8];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_build(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35437:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35437 | SWIGINTERN VALUE _wrap_OBBuilder_build(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs + 1;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_add_ring_fragment(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35474:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35474 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35474:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35474 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_get_new_bond_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35513:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35513 | SWIGINTERN VALUE _wrap_OBBuilder_get_new_bond_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_connect(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35591:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35591 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35591:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35591 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35594:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35594 |      if (!_v) goto check_2; return _wrap_OBBuilder_connect__SWIG_1(nargs, args, self);}  check_2: if (argc == 4) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35594:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35594 |      if (!_v) goto check_2; return _wrap_OBBuilder_connect__SWIG_1(nargs, args, self);}  check_2: if (argc == 4) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBBuilder_correct_stereo_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35649:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35649 | SWIGINTERN VALUE _wrap_OBBuilder_correct_stereo_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35710:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35710 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35710:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35710 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35734:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35734 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35734:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35734 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35755:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35755 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35755:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35755 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35770:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35770 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35770:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35770 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBOp_do(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35782:86: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
35782 | SWIGINTERN VALUE _wrap_OBOp_do(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs + 1;
      |                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBRotorRule(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35880:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
35880 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:35880:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
35880 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_set_dihedral_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36095:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36095 |      if (!_v) goto check_1; return _wrap_OBRotor_set_dihedral_atoms__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36095:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36095 |      if (!_v) goto check_1; return _wrap_OBRotor_set_dihedral_atoms__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_set_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36176:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36176 | SWIGINTERN VALUE _wrap_OBRotor_set_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36249:90: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36249 | SWIGINTERN VALUE _wrap_OBRotor_set(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[7]; int ii; argc = nargs + 1;
      |                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotor_get_dihedral_atoms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36300:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36300 | SWIGINTERN VALUE _wrap_OBRotor_get_dihedral_atoms(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotorList_setup(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36559:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36559 | SWIGINTERN VALUE _wrap_OBRotorList_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotorList_find_rotors(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36636:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36636 | SWIGINTERN VALUE _wrap_OBRotorList_find_rotors(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_RotorDigit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36794:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
36794 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36794:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
36794 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36793:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36793 | SWIGINTERN VALUE _wrap_new_RotorDigit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[1]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotamerList_setup(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:36973:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
36973 | SWIGINTERN VALUE _wrap_OBRotamerList_setup(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotamerList_add_rotamer(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37048:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37048 |     if (!_v) goto check_3; return _wrap_OBRotamerList_add_rotamer__SWIG_3(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37048:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37048 |     if (!_v) goto check_3; return _wrap_OBRotamerList_add_rotamer__SWIG_3(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBRotamerList_set_base_coordinate_sets(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37179:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37179 | SWIGINTERN VALUE _wrap_OBRotamerList_set_base_coordinate_sets(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAtomIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37251:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37251 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37251:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37251 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37254:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37254 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37254:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37254 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37294:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37294 | SWIGINTERN VALUE _wrap_OBMolAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37464:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37464 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37464:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37464 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37468:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
37468 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37468:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
37468 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37514:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37514 | SWIGINTERN VALUE _wrap_OBMolAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37567:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37567 | SWIGINTERN VALUE _wrap_OBMolAtomIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37588:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37588 | SWIGINTERN VALUE _wrap_OBMolAtomIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:37826:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
37826 | SWIGINTERN VALUE _wrap_OBMolAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38005:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38005 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38005:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38005 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38043:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38043 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38043:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38043 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38167:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38167 | SWIGINTERN VALUE _wrap_OBMolAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38465:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38465 | SWIGINTERN VALUE _wrap_OBMolAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38544:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38544 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38544:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38544 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38600:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38600 | SWIGINTERN VALUE _wrap_OBMolAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38630:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38630 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38630:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38630 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38642:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38642 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38642:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38642 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38657:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38657 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38657:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38657 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38659:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38659 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38659:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38659 |     if (!_v) goto check_2; return _wrap_OBMolAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38710:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38710 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38710:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38710 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38715:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38715 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38715:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38715 |     if (!_v) goto check_1; return _wrap_OBMolAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38720:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38720 |     if (!_v) goto check_3; return _wrap_OBMolAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38720:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38720 |     if (!_v) goto check_3; return _wrap_OBMolAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38769:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38769 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38769:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38769 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38781:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38781 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38781:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38781 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAtomDFSIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38900:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38900 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38900:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38900 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38903:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
38903 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomDFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38903:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
38903 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomDFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:38946:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
38946 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39119:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39119 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39119:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39119 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39123:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39123 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39123:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39123 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39170:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39170 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39224:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39224 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39246:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39246 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39484:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39484 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39663:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39663 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39663:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39663 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39701:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
39701 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39701:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
39701 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:39825:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
39825 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40123:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40123 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40202:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40202 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40202:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40202 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40258:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40258 | SWIGINTERN VALUE _wrap_OBMolAtomDFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40288:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40288 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40288:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40288 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40300:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40300 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40300:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40300 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40315:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40315 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40315:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40315 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40317:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40317 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40317:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40317 |     if (!_v) goto check_2; return _wrap_OBMolAtomDFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40368:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40368 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40368:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40368 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40373:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40373 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40373:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40373 |     if (!_v) goto check_1; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40378:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40378 |      if (!_v) goto check_3; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40378:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40378 |      if (!_v) goto check_3; return _wrap_OBMolAtomDFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40427:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40427 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40427:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40427 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomDFSIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40439:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40439 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40439:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40439 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAtomBFSIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40558:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40558 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40558:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40558 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40561:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40561 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40561:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40561 |     if (!_v) goto check_2; return _wrap_new_OBMolAtomBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40604:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40604 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40777:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40777 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40777:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40777 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40781:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
40781 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40781:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
40781 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40828:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40828 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40882:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40882 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:40904:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
40904 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41142:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41142 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41321:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41321 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41321:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41321 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41359:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41359 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41359:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41359 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41483:119: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41483 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41781:116: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41781 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41860:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41860 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41860:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41860 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41916:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
41916 | SWIGINTERN VALUE _wrap_OBMolAtomBFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41946:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41946 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41946:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41946 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41958:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41958 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41958:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41958 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41973:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41973 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41973:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41973 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41975:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
41975 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:41975:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
41975 |     if (!_v) goto check_2; return _wrap_OBMolAtomBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42026:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42026 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42026:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42026 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42031:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42031 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42031:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42031 |     if (!_v) goto check_1; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42036:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42036 |      if (!_v) goto check_3; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42036:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42036 |      if (!_v) goto check_3; return _wrap_OBMolAtomBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42085:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42085 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42085:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42085 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolAtomBFSIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42097:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42097 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42097:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42097 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolBondBFSIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42216:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42216 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42216:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42216 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42219:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42219 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42219:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42219 |     if (!_v) goto check_2; return _wrap_new_OBMolBondBFSIter__SWIG_2(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42262:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42262 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42395:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42395 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42439:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42439 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42461:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42461 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42483:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42483 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42505:113: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42505 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42527:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42527 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42549:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42549 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42621:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42621 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42645:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42645 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42743:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42743 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42908:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
42908 | SWIGINTERN VALUE _wrap_OBMolBondBFSIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42938:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42938 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42938:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42938 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42950:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42950 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42950:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42950 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42965:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42965 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42965:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42965 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42967:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
42967 |     if (!_v) goto check_2; return _wrap_OBMolBondBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:42967:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
42967 |     if (!_v) goto check_2; return _wrap_OBMolBondBFSIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43018:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43018 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43018:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43018 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43023:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43023 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43023:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43023 |     if (!_v) goto check_1; return _wrap_OBMolBondBFSIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43028:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43028 |      if (!_v) goto check_3; return _wrap_OBMolBondBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43028:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43028 |      if (!_v) goto check_3; return _wrap_OBMolBondBFSIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43077:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43077 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43077:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43077 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondBFSIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43089:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43089 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43089:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43089 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolBondIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43195:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43195 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43195:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43195 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43198:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43198 |     if (!_v) goto check_2; return _wrap_new_OBMolBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43198:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43198 |     if (!_v) goto check_2; return _wrap_new_OBMolBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43238:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43238 | SWIGINTERN VALUE _wrap_OBMolBondIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43360:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43360 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43403:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43403 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43424:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43424 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43445:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43445 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43466:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43466 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43487:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43487 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43508:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43508 | SWIGINTERN VALUE _wrap_OBMolBondIter_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43580:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43580 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43604:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43604 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43702:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43702 | SWIGINTERN VALUE _wrap_OBMolBondIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43867:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
43867 | SWIGINTERN VALUE _wrap_OBMolBondIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43897:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43897 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43897:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43897 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43909:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43909 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43909:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43909 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43924:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43924 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43924:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43924 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43926:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43926 |     if (!_v) goto check_2; return _wrap_OBMolBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43926:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43926 |     if (!_v) goto check_2; return _wrap_OBMolBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43977:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43977 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43977:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43977 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43982:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43982 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43982:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43982 |     if (!_v) goto check_1; return _wrap_OBMolBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43987:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
43987 |     if (!_v) goto check_3; return _wrap_OBMolBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:43987:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
43987 |     if (!_v) goto check_3; return _wrap_OBMolBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44036:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44036 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44036:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44036 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolBondIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44048:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44048 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44048:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44048 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBAtomAtomIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44156:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44156 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44156:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44156 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44159:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44159 |     if (!_v) goto check_2; return _wrap_new_OBAtomAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44159:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44159 |     if (!_v) goto check_2; return _wrap_new_OBAtomAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44200:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44200 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44362:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44362 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44362:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44362 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44366:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44366 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44366:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44366 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44413:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44413 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44466:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44466 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44487:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44487 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44725:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
44725 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44904:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44904 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44904:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44904 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44942:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
44942 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:44942:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
44942 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45066:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45066 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45364:114: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45364 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45443:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45443 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45443:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45443 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45499:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45499 | SWIGINTERN VALUE _wrap_OBAtomAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45529:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45529 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45529:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45529 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45541:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45541 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45541:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45541 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45556:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45556 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45556:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45556 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45558:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45558 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45558:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45558 |     if (!_v) goto check_2; return _wrap_OBAtomAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45609:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45609 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45609:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45609 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45614:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45614 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45614:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45614 |     if (!_v) goto check_1; return _wrap_OBAtomAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45619:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45619 |     if (!_v) goto check_3; return _wrap_OBAtomAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45619:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45619 |     if (!_v) goto check_3; return _wrap_OBAtomAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45668:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45668 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45668:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45668 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45680:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45680 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45680:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45680 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBAtomBondIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45788:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45788 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45788:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45788 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45791:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
45791 |     if (!_v) goto check_2; return _wrap_new_OBAtomBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45791:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
45791 |     if (!_v) goto check_2; return _wrap_new_OBAtomBondIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45832:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45832 | SWIGINTERN VALUE _wrap_OBAtomBondIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_length(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45955:104: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45955 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_length(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:45998:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
45998 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_wedge(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46019:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46019 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_wedge(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46040:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46040 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_wedge_or_hash(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46061:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46061 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_wedge_or_hash(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46082:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46082 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_set_closure(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46103:105: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46103 | SWIGINTERN VALUE _wrap_OBAtomBondIter_set_closure(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                         ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_begin_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46175:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46175 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_begin_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_end_atom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46199:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46199 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_end_atom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_is_rotor(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46297:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46297 | SWIGINTERN VALUE _wrap_OBAtomBondIter_is_rotor(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46462:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46462 | SWIGINTERN VALUE _wrap_OBAtomBondIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46492:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46492 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46492:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46492 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46504:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46504 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46504:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46504 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46519:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46519 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46519:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46519 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46521:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46521 |     if (!_v) goto check_2; return _wrap_OBAtomBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46521:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46521 |     if (!_v) goto check_2; return _wrap_OBAtomBondIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46572:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46572 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46572:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46572 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46577:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46577 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46577:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46577 |     if (!_v) goto check_1; return _wrap_OBAtomBondIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46582:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46582 |     if (!_v) goto check_3; return _wrap_OBAtomBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46582:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46582 |     if (!_v) goto check_3; return _wrap_OBAtomBondIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46631:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46631 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46631:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46631 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBAtomBondIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46643:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46643 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46643:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46643 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBResidueIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46749:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46749 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46749:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46749 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46752:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46752 |     if (!_v) goto check_2; return _wrap_new_OBResidueIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46752:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46752 |     if (!_v) goto check_2; return _wrap_new_OBResidueIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46792:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
46792 | SWIGINTERN VALUE _wrap_OBResidueIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_set_name(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46860:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46860 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46860:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46860 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_set_num(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46883:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
46883 |     if (!_v) goto check_1; return _wrap_OBResidueIter_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:46883:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
46883 |     if (!_v) goto check_1; return _wrap_OBResidueIter_set_num__SWIG_0(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_bonds(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47061:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47061 | SWIGINTERN VALUE _wrap_OBResidueIter_get_bonds(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47265:102: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47265 | SWIGINTERN VALUE _wrap_OBResidueIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                      ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47295:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47295 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47295:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47295 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47307:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47307 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47307:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47307 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47322:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47322 |     if (!_v) goto check_1; return _wrap_OBResidueIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47322:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47322 |     if (!_v) goto check_1; return _wrap_OBResidueIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47324:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47324 |     if (!_v) goto check_2; return _wrap_OBResidueIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47324:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47324 |     if (!_v) goto check_2; return _wrap_OBResidueIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47375:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47375 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47375:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47375 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47380:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47380 |     if (!_v) goto check_1; return _wrap_OBResidueIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47380:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47380 |     if (!_v) goto check_1; return _wrap_OBResidueIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47385:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47385 |     if (!_v) goto check_3; return _wrap_OBResidueIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47385:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47385 |     if (!_v) goto check_3; return _wrap_OBResidueIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47434:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47434 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47434:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47434 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47446:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47446 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47446:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47446 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBResidueAtomIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47559:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47559 |     if (!_v) goto check_2; return _wrap_new_OBResidueAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47559:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47559 |     if (!_v) goto check_2; return _wrap_new_OBResidueAtomIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47601:100: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47601 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                    ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_type__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47769:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47769 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47769:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47769 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47773:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
47773 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47773:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
47773 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47820:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47820 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_set_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_aromatic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47874:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47874 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_set_aromatic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_set_in_ring(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:47896:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
47896 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_set_in_ring(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_vector(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48134:107: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48134 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_get_vector(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                           ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_distance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48314:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48314 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48314:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48314 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_get_distance__SWIG_2(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_angle(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48352:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48352 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48352:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48352 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_get_angle__SWIG_1(nargs, args, self);}  check_1: if (argc == 3) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_explicit_hydrogen_count(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48476:120: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48476 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_explicit_hydrogen_count(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                        ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_alpha_beta_unsat(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48774:117: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48774 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_has_alpha_beta_unsat(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3];
      |                                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_matches_smarts(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48853:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48853 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48853:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48853 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_title(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48909:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
48909 | SWIGINTERN VALUE _wrap_OBResidueAtomIter_get_title(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_data__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48939:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48939 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48939:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48939 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48951:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48951 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48951:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48951 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_has_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48966:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48966 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48966:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48966 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_has_data__SWIG_2(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48968:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
48968 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:48968:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
48968 |     if (!_v) goto check_2; return _wrap_OBResidueAtomIter_has_data__SWIG_0(nargs, args, self);}  check_2: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_delete_data__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49019:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49019 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49019:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49019 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_delete_data(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49024:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49024 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49024:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49024 |     if (!_v) goto check_1; return _wrap_OBResidueAtomIter_delete_data__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49029:6: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49029 |      if (!_v) goto check_3; return _wrap_OBResidueAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |      ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49029:29: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49029 |      if (!_v) goto check_3; return _wrap_OBResidueAtomIter_delete_data__SWIG_0(nargs, args, self);}  check_3: if (argc == 2) {
      |                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_data__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49078:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49078 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49078:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49078 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBResidueAtomIter_get_data__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49090:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49090 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49090:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49090 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return vresult; fail: if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolAngleIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49198:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49198 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49198:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49198 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49201:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49201 |     if (!_v) goto check_2; return _wrap_new_OBMolAngleIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49201:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49201 |     if (!_v) goto check_2; return _wrap_new_OBMolAngleIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolTorsionIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49277:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49277 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49277:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49277 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49280:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49280 |     if (!_v) goto check_2; return _wrap_new_OBMolTorsionIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49280:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49280 |     if (!_v) goto check_2; return _wrap_new_OBMolTorsionIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolPairIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49354:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49354 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49354:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49354 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49357:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49357 |     if (!_v) goto check_2; return _wrap_new_OBMolPairIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49357:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49357 |     if (!_v) goto check_2; return _wrap_new_OBMolPairIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBMolRingIter(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49429:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49429 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49429:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49429 |   if (argc > 1) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49432:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49432 |     if (!_v) goto check_2; return _wrap_new_OBMolRingIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49432:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49432 |     if (!_v) goto check_2; return _wrap_new_OBMolRingIter__SWIG_1(nargs, args, self);}  check_2: if (argc == 1) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter_inc(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49472:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49472 | SWIGINTERN VALUE _wrap_OBMolRingIter_inc(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter__path_set(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49528:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49528 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49528:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49528 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter_set_type__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49594:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49594 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49594:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49594 |   if (alloc2 == SWIG_NEWOBJ) delete[] buf2; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBMolRingIter_set_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49611:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49611 |     if (!_v) goto check_1; return _wrap_OBMolRingIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49611:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49611 |     if (!_v) goto check_1; return _wrap_OBMolRingIter_set_type__SWIG_1(nargs, args, self);}  check_1: if (argc == 2) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBChargeModel__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49731:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49731 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49731:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49731 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBChargeModel__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49750:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49750 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return self; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49750:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49750 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return self; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBChargeModel(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49752:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49752 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49752:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49752 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49751:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49751 | SWIGINTERN VALUE _wrap_new_OBChargeModel(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBChargeModel_find_type(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49765:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49765 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49765:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49765 |   if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return vresult; fail: if (alloc1 == SWIG_NEWOBJ) delete[] buf1; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBChargeModel_compute_charges__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49796:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
49796 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49796:45: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
49796 |   if (alloc3 == SWIG_NEWOBJ) delete[] buf3; return Qnil; }
      |                                             ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBChargeModel_compute_charges(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49797:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49797 | SWIGINTERN VALUE _wrap_OBChargeModel_compute_charges(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBPhModel_correct_for_ph(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:49972:103: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
49972 | SWIGINTERN VALUE _wrap_OBPhModel_correct_for_ph(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii;
      |                                                                                                       ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBGraphSym(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50012:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50012 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50012:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50012 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50011:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50011 | SWIGINTERN VALUE _wrap_new_OBGraphSym(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_get_instance__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50068:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50068 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50068:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50068 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_get_instance(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50079:111: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50079 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_get_instance(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_first(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50128:108: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50128 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_first(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                            ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_unique(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50178:109: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50178 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_unique(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_all(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50256:106: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50256 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_all(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii;
      |                                                                                                          ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBIsomorphismMapper_map_generic(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50306:110: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50306 | SWIGINTERN VALUE _wrap_OBIsomorphismMapper_map_generic(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[5]; int ii;
      |                                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50377:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50377 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50377:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50377 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50408:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50408 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50408:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50408 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50434:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50434 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50434:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50434 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_6(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50525:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50525 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50525:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50525 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms__SWIG_7(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50546:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50546 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50546:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50546 |   if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; fail: if (SWIG_IsNewObj(res3)) delete arg3; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_automorphisms(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50548:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50548 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50548:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50548 |   if (argc > 5) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50551:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50551 |     if (!_v) goto check_2; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50551:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50551 |     if (!_v) goto check_2; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50562:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50562 |     if (!_v) goto check_5; { void *vptr = 0;
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50562:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50562 |     if (!_v) goto check_5; { void *vptr = 0;
      |                            ^
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50572:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50572 |     if (!_v) goto check_6; return _wrap_find_automorphisms__SWIG_6(nargs, args, self);}  check_6: if (argc == 4) {
      |     ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50572:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50572 |     if (!_v) goto check_6; return _wrap_find_automorphisms__SWIG_6(nargs, args, self);}  check_6: if (argc == 4) {
      |                            ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBQueryAtom(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50629:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50629 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50629:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50629 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50628:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50628 | SWIGINTERN VALUE _wrap_new_OBQueryAtom(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBQueryBond(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50741:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50741 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50741:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50741 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50740:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50740 | SWIGINTERN VALUE _wrap_new_OBQueryBond(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_molecule_query(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50914:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50914 | SWIGINTERN VALUE _wrap_compile_molecule_query(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_smiles_query__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50936:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50936 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50936:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50936 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_smiles_query__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50946:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50946 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50946:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50946 |   if (SWIG_IsNewObj(res1)) delete arg1; return vresult; fail: if (SWIG_IsNewObj(res1)) delete arg1; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_compile_smiles_query(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50948:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50948 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50948:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50948 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50947:99: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
50947 | SWIGINTERN VALUE _wrap_compile_smiles_query(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                                   ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50984:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
50984 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:50984:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
50984 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51013:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51013 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51013:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51013 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_2(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51039:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51039 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51039:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51039 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels__SWIG_3(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51060:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51060 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51060:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51060 |   if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_canonical_labels(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51062:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51062 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51062:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51062 |   if (argc > 6) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51061:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51061 | SWIGINTERN VALUE _wrap_canonical_labels(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[6]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_OBStereo_make_refs(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51111:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51111 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51111:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51111 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 3) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51110:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51110 | SWIGINTERN VALUE _wrap_OBStereo_make_refs(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBStereoUnit(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51255:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51255 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51255:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51255 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 0) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51254:95: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51254 | SWIGINTERN VALUE _wrap_new_OBStereoUnit(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                               ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_new_OBStereoFacade(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51396:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51396 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51396:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51396 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51395:97: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51395 | SWIGINTERN VALUE _wrap_new_OBStereoFacade(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                                 ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_perceive_stereo(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51545:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51545 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51545:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51545 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51544:94: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51544 | SWIGINTERN VALUE _wrap_perceive_stereo(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                              ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_stereo_from_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51587:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51587 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51587:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51587 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51586:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51586 | SWIGINTERN VALUE _wrap_stereo_from_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_stereo_from_3d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51609:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51609 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51609:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51609 |   if (argc > 2) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 1) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51608:93: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51608 | SWIGINTERN VALUE _wrap_stereo_from_3d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[2]; int ii; argc = nargs;
      |                                                                                             ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_tetrahedral_from_3d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51660:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51660 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51660:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51660 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51659:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51659 | SWIGINTERN VALUE _wrap_tetrahedral_from_3d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_tetrahedral_from_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51707:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51707 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51707:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51707 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51706:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51706 | SWIGINTERN VALUE _wrap_tetrahedral_from_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_tetrahedral_from_0d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51754:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51754 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51754:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51754 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51753:98: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51753 | SWIGINTERN VALUE _wrap_tetrahedral_from_0d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                  ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_cis_trans_from_3d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51801:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51801 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51801:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51801 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51800:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51800 | SWIGINTERN VALUE _wrap_cis_trans_from_3d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_cis_trans_from_2d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51879:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51879 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51879:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51879 |   if (argc > 4) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51878:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51878 | SWIGINTERN VALUE _wrap_cis_trans_from_2d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[4]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_cis_trans_from_0d(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51993:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
51993 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51993:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
51993 |   if (argc > 3) SWIG_fail; for (ii = 0; (ii < argc); ++ii) { argv[ii] = args[ii]; }  if (argc == 2) {
      |                            ^~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:51992:96: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
51992 | SWIGINTERN VALUE _wrap_cis_trans_from_0d(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii; argc = nargs;
      |                                                                                                ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_stereogenic_units__SWIG_0(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52017:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
52017 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52017:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
52017 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_stereogenic_units__SWIG_1(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52041:3: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation]
52041 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |   ^~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52041:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’
52041 |   if (SWIG_IsNewObj(res2)) delete arg2; return vresult; fail: if (SWIG_IsNewObj(res2)) delete arg2; return Qnil; }
      |                                         ^~~~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘VALUE _wrap_find_stereogenic_units(int, VALUE*, VALUE)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:52042:101: warning: variable ‘argv’ set but not used [-Wunused-but-set-variable]
52042 | SWIGINTERN VALUE _wrap_find_stereogenic_units(int nargs, VALUE *args, VALUE self) { int argc; VALUE argv[3]; int ii;
      |                                                                                                     ^~~~
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp: In function ‘void* _p_OpenBabel__CharPtrLessTo_p_std__binary_functionT_char_const_p_char_const_p_bool_t(void*, int*)’:
/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/ruby/openbabel-ruby.cpp:53298:27: warning: ‘template<class _Arg1, class _Arg2, class _Result> struct std::binary_function’ is deprecated [-Wdeprecated-declarations]
53298 |     return (void *)((std::binary_function< char const *,char const *,bool > *)  ((OpenBabel::CharPtrLess *) x));
      |                           ^~~~~~~~~~~~~~~
/usr/include/c++/15/bits/stl_function.h:131:12: note: declared here
  131 |     struct binary_function
      |            ^~~~~~~~~~~~~~~
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 99%] Linking CXX shared module ../lib64/OpenBabel.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/cmake -E cmake_link_script CMakeFiles/bindings_perl.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/bindings_perl.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/OpenBabel.so "CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o"  -lperl ../lib64/libopenbabel.so.7.0.0 -lpthread -lresolv -ldl -lm -lcrypt -lutil -lc -lm -ldl -lz
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make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[100%] Built target bindings_perl
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[100%] Linking CXX shared module ../lib64/openbabel.so
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts && /usr/bin/cmake -E cmake_link_script CMakeFiles/bindings_ruby.dir/link.txt --verbose=1
/usr/bin/g++ -fPIC -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -pthread -DNDEBUG -O3 -DNDEBUG -Wl,--dependency-file=CMakeFiles/bindings_ruby.dir/link.d -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -shared  -o ../lib64/openbabel.so "CMakeFiles/bindings_ruby.dir/ruby/openbabel-ruby.cpp.o"  -lruby ../lib64/libopenbabel.so.7.0.0 -lm -ldl -lz
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make[1]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[100%] Built target bindings_ruby
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make: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.kmnM3s
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ '[' /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT '!=' / ']'
+ rm -rf /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
++ dirname /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
+ mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build
+ mkdir /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd openbabel-openbabel-3-1-1
+ /usr/bin/make install DESTDIR=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT 'INSTALL=/usr/bin/install -p' -C x86_64-redhat-linux-gnu
make: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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/usr/bin/make  -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/CMakeFiles/plugin_forcefields.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_forcefields.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 17%] Built target plugin_forcefields
/usr/bin/make  -f src/CMakeFiles/plugin_ops.dir/build.make src/CMakeFiles/plugin_ops.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/CMakeFiles/plugin_ops.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_ops.dir/build.make src/CMakeFiles/plugin_ops.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_ops.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 23%] Built target plugin_ops
/usr/bin/make  -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/CMakeFiles/plugin_charges.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/CMakeFiles/plugin_charges.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Built target plugin_charges
/usr/bin/make  -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/smilesformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/smilesformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Built target smilesformat
/usr/bin/make  -f src/formats/CMakeFiles/mdlformat.dir/build.make src/formats/CMakeFiles/mdlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mdlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mdlformat.dir/build.make src/formats/CMakeFiles/mdlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mdlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Built target mdlformat
/usr/bin/make  -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mol2format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 25%] Built target mol2format
/usr/bin/make  -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pdbformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pdbformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 26%] Built target pdbformat
/usr/bin/make  -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/inchiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 27%] Built target inchiformat
/usr/bin/make  -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/asciiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/asciiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 28%] Built target asciiformat
/usr/bin/make  -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/copyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/copyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Built target copyformat
/usr/bin/make  -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/MNAformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/MNAformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Built target MNAformat
/usr/bin/make  -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/molreport.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/molreport.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 29%] Built target molreport
/usr/bin/make  -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/nulformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/nulformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 30%] Built target nulformat
/usr/bin/make  -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/painterformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/painterformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 31%] Built target painterformat
/usr/bin/make  -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/povrayformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/povrayformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Built target povrayformat
/usr/bin/make  -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/reportformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/reportformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Built target reportformat
/usr/bin/make  -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/svgformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/svgformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 32%] Built target svgformat
/usr/bin/make  -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/textformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 33%] Built target textformat
/usr/bin/make  -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/titleformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 34%] Built target titleformat
/usr/bin/make  -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/confabreport.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/confabreport.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 34%] Built target confabreport
/usr/bin/make  -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pngformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pngformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Built target pngformat
/usr/bin/make  -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/acesformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/acesformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Built target acesformat
/usr/bin/make  -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/abinitformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/abinitformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Built target abinitformat
/usr/bin/make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/adfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/adfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Built target adfformat
/usr/bin/make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/aoforceformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/aoforceformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 35%] Built target aoforceformat
/usr/bin/make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/castepformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/castepformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 36%] Built target castepformat
/usr/bin/make  -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/crystal09format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/crystal09format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 37%] Built target crystal09format
/usr/bin/make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/daltonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/daltonformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 37%] Built target daltonformat
/usr/bin/make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/dmolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/dmolformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 37%] Built target dmolformat
/usr/bin/make  -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fchkformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fchkformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 38%] Built target fchkformat
/usr/bin/make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fhiaimsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fhiaimsformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 38%] Built target fhiaimsformat
/usr/bin/make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gamessformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gamessformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 39%] Built target gamessformat
/usr/bin/make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gaussformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 40%] Built target gaussformat
/usr/bin/make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gausscubeformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 40%] Built target gausscubeformat
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gausszmatformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 40%] Built target gausszmatformat
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gulpformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gulpformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Built target gulpformat
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/hinformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Built target hinformat
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/jaguarformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Built target jaguarformat
/usr/bin/make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/molproformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 41%] Built target molproformat
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mopacformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Built target mopacformat
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/nwchemformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 42%] Built target nwchemformat
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pwscfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pwscfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 43%] Built target pwscfformat
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/qchemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/qchemformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 43%] Built target qchemformat
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/siestaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/siestaformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Built target siestaformat
/usr/bin/make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/turbomoleformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/turbomoleformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Built target turbomoleformat
/usr/bin/make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/vaspformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/vaspformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Built target vaspformat
/usr/bin/make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xsfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 44%] Built target xsfformat
/usr/bin/make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/zindoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/zindoformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target zindoformat
/usr/bin/make  -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gamessukformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gamessukformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target gamessukformat
/usr/bin/make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/orcaformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target orcaformat
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/APIInterface.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target APIInterface
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/CSRformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 45%] Built target CSRformat
/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/PQSformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/PQSformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 46%] Built target PQSformat
/usr/bin/make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/MCDLformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 47%] Built target MCDLformat
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/alchemyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 48%] Built target alchemyformat
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/acrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/acrformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Built target acrformat
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/amberformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/amberformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Built target amberformat
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/balstformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 49%] Built target balstformat
/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/bgfformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Built target bgfformat
/usr/bin/make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/boxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/boxformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Built target boxformat
/usr/bin/make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cacaoformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 50%] Built target cacaoformat
/usr/bin/make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cacheformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cacheformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target cacheformat
/usr/bin/make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/carformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/carformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target carformat
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cccformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cccformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target cccformat
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chem3dformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chem3dformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target chem3dformat
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemdrawct.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target chemdrawct
/usr/bin/make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chemtoolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemtoolformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target chemtoolformat
/usr/bin/make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cifformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cifformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target cifformat
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cofformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cofformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target cofformat
/usr/bin/make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/crkformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/crkformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target crkformat
/usr/bin/make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cssrformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 51%] Built target cssrformat
/usr/bin/make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/dlpolyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/dlpolyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 52%] Built target dlpolyformat
/usr/bin/make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/exyzformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/exyzformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Built target exyzformat
/usr/bin/make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fastsearchformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Built target fastsearchformat
/usr/bin/make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fastaformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fastaformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Built target fastaformat
/usr/bin/make  -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/featformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/featformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 53%] Built target featformat
/usr/bin/make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fhformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 54%] Built target fhformat
/usr/bin/make  -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fingerprintformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fingerprintformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 54%] Built target fingerprintformat
/usr/bin/make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/fpsformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 55%] Built target fpsformat
/usr/bin/make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/freefracformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 55%] Built target freefracformat
/usr/bin/make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/ghemicalformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 56%] Built target ghemicalformat
/usr/bin/make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/gromos96format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 56%] Built target gromos96format
/usr/bin/make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/groformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 56%] Built target groformat
/usr/bin/make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/lmpdatformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Built target lmpdatformat
/usr/bin/make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/lpmdformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 57%] Built target lpmdformat
/usr/bin/make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mdffformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mdffformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 58%] Built target mdffformat
/usr/bin/make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mmcifformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 58%] Built target mmcifformat
/usr/bin/make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mmodformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mmodformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 59%] Built target mmodformat
/usr/bin/make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/moldenformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 60%] Built target moldenformat
/usr/bin/make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mpdformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mpdformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 60%] Built target mpdformat
/usr/bin/make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/mpqcformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/mpqcformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Built target mpqcformat
/usr/bin/make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/msiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Built target msiformat
/usr/bin/make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/msmsformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/msmsformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 61%] Built target msmsformat
/usr/bin/make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/opendxformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target opendxformat
/usr/bin/make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/outformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/outformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target outformat
/usr/bin/make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pcmodelformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pcmodelformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target pcmodelformat
/usr/bin/make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pdbqtformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pdbqtformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target pdbqtformat
/usr/bin/make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pointcloudformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target pointcloudformat
/usr/bin/make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/posformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/posformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target posformat
/usr/bin/make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pqrformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pqrformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target pqrformat
/usr/bin/make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/shelxformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/shelxformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 62%] Built target shelxformat
/usr/bin/make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/smileyformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 63%] Built target smileyformat
/usr/bin/make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/stlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/stlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 63%] Built target stlformat
/usr/bin/make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/thermoformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 63%] Built target thermoformat
/usr/bin/make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/tinkerformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/tinkerformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 63%] Built target tinkerformat
/usr/bin/make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/unichemformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 64%] Built target unichemformat
/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/viewmolformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 64%] Built target viewmolformat
/usr/bin/make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/wlnformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/wlnformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 65%] Built target wlnformat
/usr/bin/make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xedformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 65%] Built target xedformat
/usr/bin/make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/xyzformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xyzformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Built target xyzformat
/usr/bin/make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/yasaraformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Built target yasaraformat
/usr/bin/make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/rxnformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 66%] Built target rxnformat
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemdrawcdx.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 67%] Built target chemdrawcdx
/usr/bin/make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chemkinformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemkinformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 68%] Built target chemkinformat
/usr/bin/make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/rinchiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/rinchiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 69%] Built target rinchiformat
/usr/bin/make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/rsmiformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/rsmiformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 70%] Built target rsmiformat
/usr/bin/make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/png2format.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 70%] Built target png2format
/usr/bin/make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cdxmlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 71%] Built target cdxmlformat
/usr/bin/make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cmlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 72%] Built target cmlformat
/usr/bin/make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pubchem.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pubchem.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 73%] Built target pubchem
/usr/bin/make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/xmlformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/xmlformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 74%] Built target xmlformat
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/cmlreactformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/cmlreactformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 75%] Built target cmlreactformat
/usr/bin/make  -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/chemdoodlejsonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/chemdoodlejsonformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 75%] Built target chemdoodlejsonformat
/usr/bin/make  -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/formats/CMakeFiles/pubchemjsonformat.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'src/formats/CMakeFiles/pubchemjsonformat.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 75%] Built target pubchemjsonformat
/usr/bin/make  -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obabel.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'tools/CMakeFiles/obabel.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 76%] Built target obabel
/usr/bin/make  -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obconformer.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'tools/CMakeFiles/obconformer.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 76%] Built target obconformer
/usr/bin/make  -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obenergy.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'tools/CMakeFiles/obenergy.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Built target obenergy
/usr/bin/make  -f tools/CMakeFiles/obfit.dir/build.make tools/CMakeFiles/obfit.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obfit.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obfit.dir/build.make tools/CMakeFiles/obfit.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'tools/CMakeFiles/obfit.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 77%] Built target obfit
/usr/bin/make  -f tools/CMakeFiles/obfitall.dir/build.make tools/CMakeFiles/obfitall.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/tools/CMakeFiles/obfitall.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
/usr/bin/make  -f tools/CMakeFiles/obfitall.dir/build.make tools/CMakeFiles/obfitall.dir/build
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
make[2]: Nothing to be done for 'tools/CMakeFiles/obfitall.dir/build'.
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
[ 78%] Built target obfitall
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make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 83%] Built target obrms
/usr/bin/make  -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/src/GUI /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/GUI /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/src/GUI/CMakeFiles/obgui.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/CMakeFiles/test_runner.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/CMakeFiles/test_inchiwrite.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 98%] Built target test_inchiwrite
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/CMakeFiles/roundtrip.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 98%] Built target roundtrip
/usr/bin/make  -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/depend
make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts/CMakeFiles/bindings_python.dir/DependInfo.cmake "--color="
make[2]: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 99%] Built target bindings_python
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts/CMakeFiles/bindings_perl.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[ 99%] Built target bindings_perl
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
cd /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1 /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/scripts/CMakeFiles/bindings_ruby.dir/DependInfo.cmake "--color="
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make[2]: Entering directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
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[100%] Built target bindings_ruby
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Install the project...
/usr/bin/cmake -P cmake_install.cmake
-- Install configuration: "Release"
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/babelconfig.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/pkgconfig/openbabel-3.pc
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/cmake/openbabel3/OpenBabel3_EXPORTS.cmake
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/cmake/openbabel3/OpenBabel3_EXPORTS-release.cmake
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/cmake/openbabel3/OpenBabel3Config.cmake
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/cmake/openbabel3/OpenBabel3ConfigVersion.cmake
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/chemdrawcdx.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/alias.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/atom.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/base.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/bitvec.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/bond.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/bondtyper.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/builder.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/canon.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/chains.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/chargemodel.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/conformersearch.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/data.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/data_utilities.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/descriptor.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/distgeom.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/dlhandler.h
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-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/fingerprint.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/forcefield.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/format.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/generic.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/graphsym.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/grid.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/griddata.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/groupcontrib.h
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-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/kekulize.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/kinetics.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/lineend.h
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-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/matrix.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/mcdlutil.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/mol.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/molchrg.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/obconversion.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/oberror.h
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-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/obmolecformat.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/obutil.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/op.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/optransform.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/parsmart.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/patty.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/phmodel.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/plugin.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/pointgroup.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/query.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/reaction.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/reactionfacade.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/residue.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/ring.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/rotamer.h
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/include/openbabel3/openbabel/rotor.h
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-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cccformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chem3dformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemdrawct.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemtoolformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cifformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cofformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/crkformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cssrformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/dlpolyformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/exyzformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fastsearchformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fastaformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/featformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fhformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fingerprintformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/fpsformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/freefracformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/ghemicalformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/gromos96format.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/groformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/lmpdatformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/lpmdformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mdffformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mmcifformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mmodformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/moldenformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mpdformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/mpqcformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/msiformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/msmsformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/opendxformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/outformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pcmodelformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pdbqtformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pointcloudformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/posformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pqrformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/shelxformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/smileyformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/stlformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/thermoformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/tinkerformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/unichemformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/viewmolformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/wlnformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/xedformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/xyzformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/yasaraformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/rxnformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemdrawcdx.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemkinformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/rinchiformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/rsmiformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/png2format.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cdxmlformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cmlformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pubchem.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/xmlformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/cmlreactformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/chemdoodlejsonformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/openbabel3/pubchemjsonformat.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obabel
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obconformer
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obenergy
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obfit
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obfitall
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obgen
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obminimize
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obmm
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obprobe
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obprop
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obrotamer
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obrotate
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obsym
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obtautomer
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obthermo
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obdistgen
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obgrep
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obspectrophore
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obrms
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/obgui
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/bin/roundtrip
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/_openbabel.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__init__.py
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/openbabel.py
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/pybel.py
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/perl5/vendor_perl/auto/Chemistry/OpenBabel/OpenBabel.so
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/perl5/vendor_perl/Chemistry/OpenBabel.pm
-- Installing: /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/ruby/vendor_ruby/openbabel.so
make: Leaving directory '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu'
+ rm -f '/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/cmake/openbabel2/*.cmake'
+ desktop-file-install --dir=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/applications /builddir/build/SOURCES/obgui.desktop
+ install -Dpm644 babel.png /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/pixmaps/babel.png
+ mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/etc/profile.d
+ cat
+ cat
+ /usr/bin/find-debuginfo -j2 --strict-build-id -m -i --build-id-seed 3.1.1-33.fc43 --unique-debug-suffix -3.1.1-33.fc43.x86_64 --unique-debug-src-base openbabel-3.1.1-33.fc43.x86_64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 110000000 -S debugsourcefiles.list /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1
find-debuginfo: starting
Extracting debug info from 151 files
DWARF-compressing 151 files
sepdebugcrcfix: Updated 151 CRC32s, 0 CRC32s did match.
Creating .debug symlinks for symlinks to ELF files
Copying sources found by 'debugedit -l' to /usr/src/debug/openbabel-3.1.1-33.fc43.x86_64
find-debuginfo: done
+ /usr/lib/rpm/check-buildroot
+ /usr/lib/rpm/redhat/brp-ldconfig
+ /usr/lib/rpm/brp-compress
+ /usr/lib/rpm/redhat/brp-strip-lto /usr/bin/strip
+ /usr/lib/rpm/brp-strip-static-archive /usr/bin/strip
+ /usr/lib/rpm/check-rpaths
+ /usr/lib/rpm/redhat/brp-mangle-shebangs
+ /usr/lib/rpm/brp-remove-la-files
+ /usr/lib/rpm/redhat/brp-python-rpm-in-distinfo
+ env /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 -j2
Bytecompiling .py files below /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13 using python3.13
Bytecompiling .py files below /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib/debug/usr/lib64/python3.13 using python3.13
+ /usr/lib/rpm/redhat/brp-python-hardlink
+ /usr/bin/add-determinism --brp -j2 /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__pycache__/__init__.cpython-313.pyc: rewriting with normalized contents
/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__pycache__/pybel.cpython-313.pyc: rewriting with normalized contents
/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages/openbabel/__pycache__/openbabel.cpython-313.pyc: rewriting with normalized contents
Scanned 92 directories and 890 files,
               processed 23 inodes,
               3 modified (0 replaced + 3 rewritten),
               0 unsupported format, 0 errors
Reading /builddir/build/BUILD/openbabel-3.1.1-build/SPECPARTS/rpm-debuginfo.specpart
Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.56Jk3R
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CFLAGS
+ CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer '
+ export CXXFLAGS
+ FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FFLAGS
+ FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules '
+ export FCFLAGS
+ VALAFLAGS=-g
+ export VALAFLAGS
+ RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn'
+ export RUSTFLAGS
+ LDFLAGS='-Wl,-z,relro -Wl,--as-needed  -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1  -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes '
+ export LDFLAGS
+ LT_SYS_LIBRARY_PATH=/usr/lib64:
+ export LT_SYS_LIBRARY_PATH
+ CC=gcc
+ export CC
+ CXX=g++
+ export CXX
+ cd openbabel-openbabel-3-1-1
+ rm -f x86_64-redhat-linux-gnu/lib64/openbabel.so
+ export CTEST_OUTPUT_ON_FAILURE=1
+ CTEST_OUTPUT_ON_FAILURE=1
+ export PYTHONPATH=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages
+ PYTHONPATH=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/lib64/python3.13/site-packages
+ /usr/bin/ctest --test-dir x86_64-redhat-linux-gnu --output-on-failure --force-new-ctest-process -j2 --test-dir x86_64-redhat-linux-gnu -VV -E 'pybindtest_bindings|pybindtest_obconv_writers|test_align_4|test_align_5'
Internal ctest changing into directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu
UpdateCTestConfiguration  from :/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/DartConfiguration.tcl
Parse Config file:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/DartConfiguration.tcl
UpdateCTestConfiguration  from :/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/DartConfiguration.tcl
Parse Config file:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/DartConfiguration.tcl
Test project /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu
Constructing a list of tests
Done constructing a list of tests
Updating test list for fixtures
Added 0 tests to meet fixture requirements
Checking test dependency graph...
Checking test dependency graph end
test 1
        Start   1: test_align_1

1: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "aligntest" "1"
1: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
1: Environment variables: 
1:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
1:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
1: Test timeout computed to be: 1500
test 2
        Start   2: test_align_2

2: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "aligntest" "2"
2: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
2: Environment variables: 
2:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
2:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
2: Test timeout computed to be: 1500
  1/223 Test   #1: test_align_1 .....................   Passed    0.01 sec
test 3
        Start   3: test_align_3

3: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "aligntest" "3"
3: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
3: Environment variables: 
3:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
3:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
3: Test timeout computed to be: 1500
  2/223 Test   #2: test_align_2 .....................   Passed    0.01 sec
test 4
        Start   4: test_alias_1

4: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "aliastest" "1"
4: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
4: Environment variables: 
4:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
4:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
4: Test timeout computed to be: 1500
  3/223 Test   #3: test_align_3 .....................   Passed    0.01 sec
test 5
        Start   5: test_automorphism_1

5: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "1"
5: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
5: Environment variables: 
5:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
5:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
5: Test timeout computed to be: 1500
5: testAutomorphisms
5: 8
4: 
  4/223 Test   #5: test_automorphism_1 ..............   Passed    0.04 sec
test 6
        Start   6: test_automorphism_2

6: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "2"
6: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
6: Environment variables: 
6:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
6:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
6: Test timeout computed to be: 1500
  5/223 Test   #4: test_alias_1 .....................   Passed    0.04 sec
test 7
        Start   7: test_automorphism_3

7: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "3"
7: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
7: Environment variables: 
7:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
7:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
7: Test timeout computed to be: 1500
6: Hao, Xu paper, fig. 2: structure 1
7: Hao, Xu paper, fig. 2: structure 2
  6/223 Test   #6: test_automorphism_2 ..............   Passed    0.04 sec
test 8
        Start   8: test_automorphism_4

8: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "4"
8: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
8: Environment variables: 
8:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
8:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
8: Test timeout computed to be: 1500
  7/223 Test   #7: test_automorphism_3 ..............   Passed    0.04 sec
test 9
        Start   9: test_automorphism_5

9: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "5"
9: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
9: Environment variables: 
9:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
9:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
9: Test timeout computed to be: 1500
8: Hao, Xu paper, fig. 2: structure 3
  8/223 Test   #8: test_automorphism_4 ..............   Passed    0.04 sec
test 10
        Start  10: test_automorphism_6

10: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "6"
10: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
10: Environment variables: 
10:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
10:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
10: Test timeout computed to be: 1500
9: Hao, Xu paper, fig. 2: structure 4
  9/223 Test   #9: test_automorphism_5 ..............   Passed    0.04 sec
test 11
        Start  11: test_automorphism_7

11: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "7"
11: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
11: Environment variables: 
11:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
11:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
11: Test timeout computed to be: 1500
10: Hao, Xu paper, fig. 2: structure 5
 10/223 Test  #10: test_automorphism_6 ..............   Passed    0.04 sec
test 12
        Start  12: test_automorphism_8

12: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "8"
12: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
12: Environment variables: 
12:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
12:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
12: Test timeout computed to be: 1500
11: Hao, Xu paper, fig. 2: structure 6
 11/223 Test  #11: test_automorphism_7 ..............   Passed    0.04 sec
test 13
        Start  13: test_automorphism_9

13: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "9"
13: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
13: Environment variables: 
13:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
13:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
13: Test timeout computed to be: 1500
12: Hao, Xu paper, fig. 2: structure 7
 12/223 Test  #12: test_automorphism_8 ..............   Passed    0.03 sec
test 14
        Start  14: test_automorphism_10

14: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "automorphismtest" "10"
14: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
14: Environment variables: 
14:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
14:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
14: Test timeout computed to be: 1500
13: Hao, Xu paper, fig. 2: structure 8
 13/223 Test  #13: test_automorphism_9 ..............   Passed    0.04 sec
test 15
        Start  15: test_builder_1

15: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "buildertest" "1"
15: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
15: Environment variables: 
15:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
15:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
15: Test timeout computed to be: 1500
15:  Starting forcefield.sdf
14: Hao, Xu paper, fig. 2: structure 9
 14/223 Test  #14: test_automorphism_10 .............   Passed    0.04 sec
test 16
        Start  16: test_builder_2

16: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "buildertest" "2"
16: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
16: Environment variables: 
16:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
16:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
16: Test timeout computed to be: 1500
16:  Starting filterset.sdf
15: 
16: 56
16: 137
15: /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
16: 135
15: /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
16: 134
15: /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
16: 133
16: 129
16: 126
16: 123
16: Ethanol
16: Dimethyl Ether
 15/223 Test  #16: test_builder_2 ...................   Passed    0.24 sec
test 17
        Start  17: test_builder_3

17: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "buildertest" "3"
17: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
17: Environment variables: 
17:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
17:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
17: Test timeout computed to be: 1500
17:  SMILES OC1=CC3=C([C@@]2([H])CC[C@@]4(C)[C@](CC[C@@H]4O)([H])[C@@]([H])2[C@H](CCCCCCCCCS(CCCC(F)(F)C(F)(F)F)=O)C3)C=C1
15: /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
 16/223 Test  #17: test_builder_3 ...................   Passed    0.08 sec
test 18
        Start  18: test_builder_4

18: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "buildertest" "4"
18: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
18: Environment variables: 
18:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
18:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
18: Test timeout computed to be: 1500
18:  SMILES O1C[C@H]2O[C@H]2c2ccc(Oc3c(O)ccc(CCC1=O)c3)cc2
 17/223 Test  #18: test_builder_4 ...................   Passed    0.09 sec
test 19
        Start  19: test_builder_5

19: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "buildertest" "5"
19: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
19: Environment variables: 
19:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
19:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
19: Test timeout computed to be: 1500
19:  SMILES N12[C@@H]([C@@H](NC([C@@H](c3ccsc3)C(=O)O)=O)C2=O)SC(C)(C)[C@@-]1C(=O)O
19: ==============================
19: *** Open Babel Warning  in ParseSmiles
19:   Ignoring stereochemistry. Not enough connections to this atom. 
 18/223 Test  #19: test_builder_5 ...................   Passed    0.09 sec
test 20
        Start  20: test_builder_6

20: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "buildertest" "6"
20: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
20: Environment variables: 
20:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
20:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
20: Test timeout computed to be: 1500
20:  SMILES OC1(C2=CN(CC3=CC=CC=C3F)N=N2)CCOC1
 19/223 Test  #20: test_builder_6 ...................   Passed    0.08 sec
test 21
        Start  21: test_canonconsistent_1

21: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "canonconsistenttest" "1"
21: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
21: Environment variables: 
21:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
21:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
21: Test timeout computed to be: 1500
21: PASSED TESTS: 18/18
 20/223 Test  #21: test_canonconsistent_1 ...........   Passed    0.16 sec
test 22
        Start  22: test_canonconsistent_2

22: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "canonconsistenttest" "2"
22: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
22: Environment variables: 
22:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
22:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
22: Test timeout computed to be: 1500
22: PASSED TESTS: 10/10
 21/223 Test  #22: test_canonconsistent_2 ...........   Passed    0.04 sec
test 23
        Start  23: test_canonconsistent_3

23: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "canonconsistenttest" "3"
23: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
23: Environment variables: 
23:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
23:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
23: Test timeout computed to be: 1500
23: PASSED TESTS: 20/20
 22/223 Test  #23: test_canonconsistent_3 ...........   Passed    0.05 sec
test 24
        Start  24: test_canonfragment_1

24: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "canonfragmenttest" "1"
24: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
24: Environment variables: 
24:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
24:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
24: Test timeout computed to be: 1500
 23/223 Test  #24: test_canonfragment_1 .............   Passed    0.03 sec
test 25
        Start  25: test_canonstable_1

25: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "canonstabletest" "1"
25: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
25: Environment variables: 
25:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
25:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
25: Test timeout computed to be: 1500
15: /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
15: /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
 24/223 Test  #15: test_builder_1 ...................   Passed    2.89 sec
test 26
        Start  26: test_carspacegroup_1

26: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "1"
26: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
26: Environment variables: 
26:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
26:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
26: Test timeout computed to be: 1500
 25/223 Test  #26: test_carspacegroup_1 .............   Passed    0.03 sec
test 27
        Start  27: test_carspacegroup_2

27: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "2"
27: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
27: Environment variables: 
27:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
27:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
27: Test timeout computed to be: 1500
 26/223 Test  #27: test_carspacegroup_2 .............   Passed    0.16 sec
test 28
        Start  28: test_carspacegroup_3

28: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "3"
28: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
28: Environment variables: 
28:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
28:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
28: Test timeout computed to be: 1500
 27/223 Test  #28: test_carspacegroup_3 .............   Passed    0.17 sec
test 29
        Start  29: test_carspacegroup_4

29: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "carspacegrouptest" "4"
29: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
29: Environment variables: 
29:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
29:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
29: Test timeout computed to be: 1500
 28/223 Test  #29: test_carspacegroup_4 .............   Passed    0.17 sec
test 30
        Start  30: test_cifspacegroup_1

30: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "1"
30: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
30: Environment variables: 
30:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
30:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
30: Test timeout computed to be: 1500
 29/223 Test  #30: test_cifspacegroup_1 .............   Passed    0.17 sec
test 31
        Start  31: test_cifspacegroup_2

31: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "2"
31: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
31: Environment variables: 
31:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
31:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
31: Test timeout computed to be: 1500
 30/223 Test  #31: test_cifspacegroup_2 .............   Passed    0.17 sec
test 32
        Start  32: test_cifspacegroup_3

32: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "3"
32: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
32: Environment variables: 
32:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
32:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
32: Test timeout computed to be: 1500
 31/223 Test  #32: test_cifspacegroup_3 .............   Passed    0.01 sec
test 33
        Start  33: test_cifspacegroup_4

33: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "4"
33: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
33: Environment variables: 
33:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
33:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
33: Test timeout computed to be: 1500
33: ==============================
33: *** Open Babel Warning  in Find
33:   Unknown space group error, please file a bug report.
33: ==============================
33: *** Open Babel Warning  in Do
33:   Converting to P 1 cell using available symmetry transformations.
 32/223 Test  #33: test_cifspacegroup_4 .............   Passed    0.18 sec
test 34
        Start  34: test_cifspacegroup_5

34: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "5"
34: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
34: Environment variables: 
34:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
34:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
34: Test timeout computed to be: 1500
 33/223 Test  #34: test_cifspacegroup_5 .............   Passed    0.17 sec
test 35
        Start  35: test_cifspacegroup_6

35: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "6"
35: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
35: Environment variables: 
35:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
35:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
35: Test timeout computed to be: 1500
 34/223 Test  #35: test_cifspacegroup_6 .............   Passed    0.17 sec
test 36
        Start  36: test_cifspacegroup_7

36: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "7"
36: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
36: Environment variables: 
36:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
36:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
36: Test timeout computed to be: 1500
 35/223 Test  #36: test_cifspacegroup_7 .............   Passed    0.17 sec
test 37
        Start  37: test_cifspacegroup_8

37: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "8"
37: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
37: Environment variables: 
37:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
37:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
37: Test timeout computed to be: 1500
 36/223 Test  #37: test_cifspacegroup_8 .............   Passed    0.18 sec
test 38
        Start  38: test_cifspacegroup_9

38: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "9"
38: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
38: Environment variables: 
38:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
38:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
38: Test timeout computed to be: 1500
 37/223 Test  #38: test_cifspacegroup_9 .............   Passed    0.17 sec
test 39
        Start  39: test_cifspacegroup_10

39: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "10"
39: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
39: Environment variables: 
39:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
39:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
39: Test timeout computed to be: 1500
 38/223 Test  #39: test_cifspacegroup_10 ............   Passed    0.16 sec
test 40
        Start  40: test_cifspacegroup_11

40: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "11"
40: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
40: Environment variables: 
40:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
40:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
40: Test timeout computed to be: 1500
 39/223 Test  #40: test_cifspacegroup_11 ............   Passed    0.17 sec
test 41
        Start  41: test_cifspacegroup_12

41: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "12"
41: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
41: Environment variables: 
41:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
41:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
41: Test timeout computed to be: 1500
 40/223 Test  #41: test_cifspacegroup_12 ............   Passed    0.17 sec
test 42
        Start  42: test_cifspacegroup_13

42: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cifspacegrouptest" "13"
42: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
42: Environment variables: 
42:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
42:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
42: Test timeout computed to be: 1500
 41/223 Test  #42: test_cifspacegroup_13 ............   Passed    0.07 sec
test 43
        Start  43: test_cistrans_1

43: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cistranstest" "1"
43: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
43: Environment variables: 
43:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
43:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
43: Test timeout computed to be: 1500
 42/223 Test  #43: test_cistrans_1 ..................   Passed    0.01 sec
test 44
        Start  44: test_cistrans_2

44: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cistranstest" "2"
44: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
44: Environment variables: 
44:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
44:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
44: Test timeout computed to be: 1500
 43/223 Test  #44: test_cistrans_2 ..................   Passed    0.01 sec
test 45
        Start  45: test_cistrans_3

45: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cistranstest" "3"
45: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
45: Environment variables: 
45:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
45:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
45: Test timeout computed to be: 1500
45: ==============================
45: *** Open Babel Error  in SetConfig
45:   OBCisTransStereo::SetConfig : double bond begin id is invalid.
45: ==============================
45: *** Open Babel Error  in SetConfig
45:   OBCisTransStereo::SetConfig : double bond end id is invalid.
45: ==============================
45: *** Open Babel Error  in SetConfig
45:   OBCisTransStereo::SetConfig : found 0 reference ids, should be 4.
 44/223 Test  #45: test_cistrans_3 ..................   Passed    0.01 sec
test 46
        Start  46: test_cistrans_4

46: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cistranstest" "4"
46: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
46: Environment variables: 
46:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
46:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
46: Test timeout computed to be: 1500
 45/223 Test  #46: test_cistrans_4 ..................   Passed    0.01 sec
test 47
        Start  47: test_cistrans_5

47: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cistranstest" "5"
47: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
47: Environment variables: 
47:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
47:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
47: Test timeout computed to be: 1500
 46/223 Test  #47: test_cistrans_5 ..................   Passed    0.01 sec
test 48
        Start  48: test_cistrans_6

48: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cistranstest" "6"
48: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
48: Environment variables: 
48:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
48:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
48: Test timeout computed to be: 1500
 47/223 Test  #48: test_cistrans_6 ..................   Passed    0.03 sec
test 49
        Start  49: test_cistrans_7

49: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cistranstest" "7"
49: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
49: Environment variables: 
49:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
49:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
49: Test timeout computed to be: 1500
 48/223 Test  #49: test_cistrans_7 ..................   Passed    0.03 sec
test 50
        Start  50: test_cistrans_8

50: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cistranstest" "8"
50: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
50: Environment variables: 
50:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
50:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
50: Test timeout computed to be: 1500
50: ==============================
50: *** Open Babel Information  in IsOnSameAtom
50:   OBCisTransStereo::IsOnSameAtom : Atoms with id1 & id2 don't exist, must be a (deleted) hydrogens.
 49/223 Test  #50: test_cistrans_8 ..................   Passed    0.03 sec
test 51
        Start  51: test_cistrans_9

51: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cistranstest" "9"
51: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
51: Environment variables: 
51:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
51:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
51: Test timeout computed to be: 1500
51: ==============================
51: *** Open Babel Information  in IsOnSameAtom
51:   OBCisTransStereo::IsOnSameAtom : Atoms with id1 & id2 don't exist, must be a (deleted) hydrogens.
 50/223 Test  #51: test_cistrans_9 ..................   Passed    0.03 sec
test 52
        Start  52: test_conversion_1

52: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "conversion" "1"
52: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
52: Environment variables: 
52:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
52:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
52: Test timeout computed to be: 1500
 51/223 Test  #25: test_canonstable_1 ...............   Passed    4.71 sec
test 53
        Start  53: test_graphsym_1

53: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "graphsymtest" "1"
53: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
53: Environment variables: 
53:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
53:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
53: Test timeout computed to be: 1500
53: Testing generic smiles <-> canonical smiles
52: ==============================
52: *** Open Babel Warning  in WriteMolecule
52:   No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D.
52: # Unit tests for OBConversion 
52: 1..9
52: ok 1
52: ok 2
52: ok 3
52: ok 4
52: ok 5
52: ok 6
52: ok 7
52: ok 8
 52/223 Test  #52: test_conversion_1 ................   Passed    0.04 sec
test 54
        Start  54: test_graphsym_2

54: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "graphsymtest" "2"
54: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
54: Environment variables: 
54:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
54:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
54: Test timeout computed to be: 1500
53: smiles: C[C@H](O)N
53: mol1.NumAtoms = 4
53: canSmiles: C[C@H](O)N	
53: mol2.NumAtoms = 4
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: Cl[C@@](CCl)(I)Br
53: mol1.NumAtoms = 6
53: canSmiles: ClC[C@](I)(Br)Cl	
53: mol2.NumAtoms = 6
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: Cl/C=C/F
53: mol1.NumAtoms = 4
53: canSmiles: F/C=C/Cl	
53: mol2.NumAtoms = 4
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CCC[C@@H](O)CC\C=C\C=C\C#CC#C\C=C\CO
53: mol1.NumAtoms = 19
53: canSmiles: CCC[C@H](CC/C=C/C=C/C#CC#C/C=C/CO)O	
53: mol2.NumAtoms = 19
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: O1C=C[C@H]([C@H]1O2)c3c2cc(OC)c4c3OC(=O)C5=C4CCC(=O)5
53: mol1.NumAtoms = 23
53: canSmiles: COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3	
53: mol2.NumAtoms = 23
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
53: mol1.NumAtoms = 12
53: canSmiles: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O	
53: mol2.NumAtoms = 12
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H]2[C@@H]1c3c(O)c(OC)c(O)cc3C(=O)O2
53: mol1.NumAtoms = 23
53: canSmiles: OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC	
53: mol2.NumAtoms = 23
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC(=O)OCCC(/C)=C\C[C@H](C(C)=C)CCC=C
53: mol1.NumAtoms = 18
53: canSmiles: C=CCC[C@@H](C(=C)C)C/C=C(\CCOC(=O)C)/C	
53: mol2.NumAtoms = 18
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC[C@H](O1)CC[C@@]12CCCO2
53: mol1.NumAtoms = 11
53: canSmiles: CC[C@H]1CC[C@]2(O1)CCCO2	
53: mol2.NumAtoms = 11
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CN1CCC[C@H]1c2cccnc2
53: mol1.NumAtoms = 12
53: canSmiles: CN1CCC[C@H]1c1cccnc1	
53: mol2.NumAtoms = 12
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: C(CS[14CH2][14C@@H]1[14C@H]([14C@H]([14CH](O1)O)O)O)[C@@H](C(=O)O)N
53: mol1.NumAtoms = 17
53: canSmiles: N[C@H](C(=O)O)CCS[14CH2][14C@H]1O[14CH]([14C@@H]([14C@@H]1O)O)O	
53: mol2.NumAtoms = 17
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)C(C)Cl
53: mol1.NumAtoms = 31
53: canSmiles: CCC[C@H]1CN([C@@H](C1)C(=O)NC([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)OP(=O)(O)O)C(Cl)C)C	
53: mol2.NumAtoms = 31
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(CCl)O
53: mol1.NumAtoms = 21
54: Testing generic smiles <-> canonical smiles
53: canSmiles: ClC[C@]1(O)CC[C@@H]([C@@H]2[C@@H]1C(=O)OCC(=C2)C(=O)O)C(C)C	
53: mol2.NumAtoms = 21
53: .
53: 
53: Testing generic smiles <-> canonical smiles
53: smiles: CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2
53: mol1.NumAtoms = 11
53: canSmiles: O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C	
53: mol2.NumAtoms = 11
53: .
53: 
 53/223 Test  #53: test_graphsym_1 ..................   Passed    0.05 sec
test 55
        Start  55: test_graphsym_3

55: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "graphsymtest" "3"
55: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
55: Environment variables: 
55:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
55:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
55: Test timeout computed to be: 1500
55: stereo/razinger_fig3.mol
54: smiles: Cc1cn(c(=O)[nH]c1=O)[C@H]1C[C@@H]([C@H](O1)CNCc1ccccc1)O
54: mol1.NumAtoms = 24
54: canSmiles: O[C@H]1C[C@@H](O[C@@H]1CNCc1ccccc1)n1cc(C)c(=O)[nH]c1=O	
54: mol2.NumAtoms = 24
54: .
54: 
 54/223 Test  #54: test_graphsym_2 ..................   Passed    0.04 sec
test 56
        Start  56: test_graphsym_4

56: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "graphsymtest" "4"
56: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
56: Environment variables: 
56:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
56:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
56: Test timeout computed to be: 1500
56: stereo/razinger_fig7_20.mol
55: 1: 1
55: 2: 1
55: 3: 1
55: 4: 1
55: 5: 2
55: 6: 2
55: 7: 2
55: 8: 2
55: 9: 3
55: 10: 3
55: 11: 3
55: 12: 3
55: 13: 4
55: 14: 4
55: stereo/razinger_fig7_1.mol
55: 1: 1
55: 2: 5
55: 3: 2
55: 4: 4
55: 5: 3
55: stereo/razinger_fig7_2.mol
55: 1: 4
55: 2: 5
55: 3: 7
55: 4: 6
55: 5: 6
55: 6: 7
55: 7: 5
55: 8: 4
55: 9: 3
55: 10: 3
55: 11: 2
55: 12: 2
55: 13: 1
55: 14: 1
55: stereo/razinger_fig7_3.mol
55: 1: 3
55: 2: 5
55: 3: 1
55: 4: 5
55: 5: 6
55: 6: 3
55: 7: 7
55: 8: 7
55: 9: 2
55: 10: 2
55: 11: 4
55: 12: 4
55: stereo/razinger_fig7_4.mol
55: 1: 7
55: 2: 5
55: 3: 6
55: 4: 6
55: 5: 3
55: 6: 4
55: 7: 1
55: 8: 2
55: 9: 4
55: 10: 3
55: stereo/razinger_fig7_5.mol
55: 1: 4
55: 2: 4
55: 3: 4
55: 4: 5
55: 5: 3
55: 6: 3
55: 7: 3
55: 8: 1
55: 9: 2
55: 10: 1
55: 11: 2
55: 12: 2
55: 13: 1
55: stereo/razinger_fig7_6.mol
55: 1: 3
55: 2: 4
55: 3: 3
55: 4: 3
55: 5: 3
55: 6: 1
55: 7: 2
55: 8: 1
55: 9: 2
55: 10: 1
55: 11: 2
55: 12: 1
55: 13: 2
55: stereo/razinger_fig7_7.mol
55: 1: 6
55: 2: 7
55: 3: 5
55: 4: 6
55: 5: 6
55: 6: 1
55: 7: 4
55: 8: 3
55: 9: 2
55: 10: 3
55: 11: 4
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_8.mol
55: 1: 6
55: 2: 7
55: 3: 5
55: 4: 6
55: 5: 5
55: 6: 1
55: 7: 2
55: 8: 1
55: 9: 2
55: 10: 3
55: 11: 4
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_9.mol
55: 1: 8
55: 2: 10
55: 3: 9
55: 4: 8
55: 5: 7
55: 6: 5
55: 7: 2
55: 8: 1
55: 9: 6
55: 10: 3
55: 11: 4
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_10.mol
55: 1: 10
55: 2: 13
55: 3: 11
55: 4: 12
55: 5: 9
55: 6: 5
55: 7: 2
55: 8: 1
55: 9: 6
55: 10: 7
55: 11: 8
55: 12: 3
55: 13: 4
55: stereo/razinger_fig7_11.mol
55: 1: 2
55: 2: 8
55: 3: 1
55: 4: 4
55: 5: 3
55: 6: 4
55: 7: 7
55: 8: 5
55: 9: 5
55: 10: 6
55: 11: 3
55: 12: 7
55: 13: 1
55: 14: 2
55: 15: 6
55: 16: 8
55: 17: 9
55: stereo/razinger_fig7_12.mol
55: 1: 6
55: 2: 16
55: 3: 5
55: 4: 4
55: 5: 7
55: 6: 8
55: 7: 13
55: 8: 11
55: 9: 9
55: 10: 12
55: 11: 3
55: 12: 15
55: 13: 1
55: 14: 2
55: 15: 10
55: 16: 14
55: 17: 17
55: stereo/razinger_fig7_13.mol
55: 1: 4
55: 2: 4
55: 3: 3
55: 4: 2
55: 5: 1
55: 6: 3
55: 7: 1
55: 8: 2
55: 9: 3
55: 10: 2
55: 11: 1
55: 12: 3
55: 13: 2
55: 14: 1
55: stereo/razinger_fig7_14.mol
55: 1: 2
55: 2: 3
55: 3: 4
55: 4: 4
55: 5: 3
55: 6: 1
55: 7: 1
55: stereo/razinger_fig7_15.mol
55: 1: 4
55: 2: 3
55: 3: 5
55: 4: 5
55: 5: 3
55: 6: 2
55: 7: 2
55: 8: 1
55: stereo/razinger_fig7_16.mol
55: 1: 2
55: 2: 3
55: 3: 4
55: 4: 4
55: 5: 3
55: 6: 2
55: 7: 1
55: 8: 1
55: stereo/razinger_fig7_17.mol
55: 1: 3
55: 2: 5
55: 3: 4
55: 4: 5
55: 5: 3
55: 6: 2
55: 7: 1
55: 8: 1
55: stereo/razinger_fig7_18.mol
55: 1: 3
55: 2: 2
55: 3: 2
55: 4: 3
55: 5: 2
55: 6: 2
55: 7: 1
55: 8: 1
55: stereo/razinger_fig7_19.mol
55: 1: 3
55: 2: 4
55: 3: 5
55: 4: 6
55: 5: 5
55: 6: 4
55: 7: 1
55: 8: 2
55: 9: 2
 55/223 Test  #55: test_graphsym_3 ..................   Passed    0.04 sec
test 57
        Start  57: test_graphsym_5

57: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "graphsymtest" "5"
57: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
57: Environment variables: 
57:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
57:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
57: Test timeout computed to be: 1500
57: stereo/razinger_fig7_48.mol
56: 1: 3
56: 2: 3
56: 3: 4
56: 4: 5
56: 5: 5
56: 6: 4
56: 7: 1
56: 8: 1
56: 9: 2
56: 10: 2
56: stereo/razinger_fig7_21.mol
56: 1: 4
56: 2: 6
56: 3: 5
56: 4: 7
56: 5: 5
56: 6: 6
56: 7: 2
56: 8: 3
56: 9: 3
56: 10: 1
56: 11: 1
56: stereo/razinger_fig7_22.mol
56: 1: 2
56: 2: 2
56: 3: 2
56: 4: 2
56: 5: 1
56: 6: 1
56: 7: 1
56: 8: 1
56: stereo/razinger_fig7_23.mol
56: 1: 4
56: 2: 3
56: 3: 4
56: 4: 3
56: 5: 1
56: 6: 2
56: 7: 1
56: 8: 2
56: stereo/razinger_fig7_24.mol
56: 1: 4
56: 2: 3
56: 3: 3
56: 4: 4
56: 5: 2
56: 6: 2
56: 7: 1
56: 8: 1
56: stereo/razinger_fig7_25.mol
56: 1: 2
56: 2: 3
56: 3: 4
56: 4: 2
56: 5: 3
56: 6: 3
56: 7: 4
56: 8: 4
56: 9: 1
56: 10: 4
56: 11: 1
56: 12: 1
56: 13: 2
56: 14: 3
56: 15: 2
56: 16: 1
56: stereo/razinger_fig7_26.mol
56: 1: 4
56: 2: 3
56: 3: 3
56: 4: 4
56: 5: 3
56: 6: 3
56: 7: 1
56: 8: 1
56: 9: 2
56: 10: 2
56: 11: 2
56: 12: 2
56: stereo/razinger_fig7_27.mol
56: 1: 6
56: 2: 4
56: 3: 5
56: 4: 8
56: 5: 5
56: 6: 4
56: 7: 7
56: 8: 2
56: 9: 3
56: 10: 1
56: stereo/razinger_fig7_28.mol
56: 1: 2
56: 2: 3
56: 3: 2
56: 4: 3
56: 5: 2
56: 6: 3
56: 7: 1
56: 8: 1
56: 9: 1
56: stereo/razinger_fig7_29.mol
56: 1: 3
56: 2: 5
56: 3: 4
56: 4: 6
56: 5: 4
56: 6: 5
56: 7: 1
56: 8: 1
56: 9: 2
 56/223 Test  #56: test_graphsym_4 ..................   Passed    0.05 sec
test 58
        Start  58: test_gzip_1

58: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "gziptest" "1"
58: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
58: Environment variables: 
58:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
58:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
58: Test timeout computed to be: 1500
58: 
58: # Testing gzip handling...  
57: 1: 2
57: 2: 3
57: 3: 3
57: 4: 2
57: 5: 1
57: 6: 1
57: 7: 2
57: 8: 1
57: 9: 1
57: 10: 2
57: stereo/razinger_fig7_49.mol
57: 1: 5
57: 2: 11
57: 3: 10
57: 4: 7
57: 5: 2
57: 6: 3
57: 7: 6
57: 8: 4
57: 9: 9
57: 10: 8
57: 11: 1
57: stereo/razinger_fig7_50.mol
57: 1: 3
57: 2: 5
57: 3: 5
57: 4: 3
57: 5: 1
57: 6: 1
57: 7: 4
57: 8: 2
57: 9: 4
57: stereo/razinger_fig7_51.mol
57: 1: 3
57: 2: 6
57: 3: 7
57: 4: 5
57: 5: 1
57: 6: 2
57: 7: 4
57: 8: 4
57: 9: 6
57: 10: 7
57: 11: 3
57: 12: 2
57: 13: 1
57: 14: 5
57: stereo/razinger_fig7_52.mol
57: 1: 2
57: 2: 4
57: 3: 4
57: 4: 2
57: 5: 1
57: 6: 1
57: 7: 3
57: 8: 4
57: 9: 4
57: 10: 3
57: 11: 2
57: 12: 1
57: 13: 1
57: 14: 2
57: stereo/razinger_fig7_58.mol
57: 1: 3
57: 2: 2
57: 3: 4
57: 4: 4
57: 5: 5
57: 6: 2
57: 7: 3
57: 8: 3
57: 9: 3
57: 10: 1
57: 11: 1
57: stereo/razinger_fig7_59.mol
57: 1: 2
57: 2: 4
57: 3: 2
57: 4: 3
57: 5: 3
57: 6: 2
57: 7: 3
57: 8: 3
57: 9: 2
57: 10: 1
57: 11: 1
57: 12: 1
57: 13: 1
57: stereo/razinger_fig7_60.mol
57: 1: 3
57: 2: 7
57: 3: 4
57: 4: 5
57: 5: 6
57: 6: 4
57: 7: 5
57: 8: 6
57: 9: 3
57: 10: 2
57: 11: 1
57: 12: 2
57: 13: 1
57: stereo/razinger_fig7_64.mol
57: 1: 4
57: 2: 7
57: 3: 6
57: 4: 8
57: 5: 3
57: 6: 2
57: 7: 4
57: 8: 2
57: 9: 3
57: 10: 8
57: 11: 5
57: 12: 5
57: 13: 1
57: 14: 1
57: stereo/razinger_fig7_69.mol
57: 1: 2
57: 2: 2
57: 3: 2
57: 4: 2
57: 5: 2
57: 6: 2
57: 7: 1
57: 8: 1
57: 9: 1
57: 10: 1
57: 11: 1
57: 12: 1
 57/223 Test  #57: test_graphsym_5 ..................   Passed    0.04 sec
test 59
        Start  59: test_addh_1

59: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "addhtest" "1"
59: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
59: Environment variables: 
59:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
59:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
59: Test timeout computed to be: 1500
59: 
59: # Testing addh handling...  
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/3o8g_uff.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/10gs_vww.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/12gs_0hh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/13gs_sas.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/19gs_bsp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a2n_tet.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a42_bzu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a4l_dcf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a4m_prh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a4q_dpc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a4r_gnh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a5h_bba.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a5v_y3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a6v_npc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a6w_nip.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a72_pad.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a7a_adc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a7x_fka.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a82_dnn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a85_0dy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a86_0zb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a8t_061.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a96_xan.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1a97_5gp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aax_bpm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ab8_fok.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ac4_tmt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ac8_tmz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aco_tra.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ad4_hh2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1adb_cnd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1add_1da.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1adg_sad.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ady_ham.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1aeb_3mt.sdf
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59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 2 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 11 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 32 N
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 58/223 Test  #58: test_gzip_1 ......................   Passed    0.23 sec
test 60
        Start  60: test_implicitH_1

60: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "implicitHtest" "1"
60: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
60: Environment variables: 
60:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
60:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
60: Test timeout computed to be: 1500
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i2z_654.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i30_826.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i32_nmd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i33_tnd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i5r_hyc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i6k_tym.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i7c_mgb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i7e_ibs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i7g_az2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i7m_cg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i80_9hx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i80_imr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i83_ntu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i8z_inl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i91_inq.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1i9p_ioe.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ia1_tq3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ia2_tq4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iay_avg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ida_0po.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1idb_0do.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ie8_kh1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iei_zes.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1if2_129.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1if7_sbr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1if9_sbb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1igb_ipo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ijr_cc0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ik3_13s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ikg_rex.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iki_dal.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iki_rey.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ikv_efz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ikx_pnu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iky_msd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1il5_ddp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1il9_mog.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1imb_lip.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1inf_st4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ing_st5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1inh_st6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1inw_axp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iop_he6.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 2 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 4 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iov_pob.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iqh_xmf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iqi_xmg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iqk_xmi.sdf
60: Mol#0, Title 2707, Original atoms vs New atoms: 10 vs 10
60: 
60: Mol#1, Title 167, Original atoms vs New atoms: 16 vs 16
60: 
60: Mol#2, Title 281, Original atoms vs New atoms: 2 vs 2
60: 
60: Mol#3, Title 1419, Original atoms vs New atoms: 54 vs 54
60: 
60: Mol#4, Title 1600, Original atoms vs New atoms: 37 vs 37
60: 
60: Mol#5, Title 5081, Original atoms vs New atoms: 38 vs 38
60: 
60: Mol#6, Title 5726, Original atoms vs New atoms: 32 vs 32
60: 
60: Mol#7, Title 9107, Original atoms vs New atoms: 36 vs 36
60: 
60: Mol#8, Title 9550, Original atoms vs New atoms: 5 vs 5
60: 
60: Mol#9, Title 9863, Original atoms vs New atoms: 2 vs 2
60: 
60: Mol#10, Title 14768, Original atoms vs New atoms: 6 vs 6
60: 
60: Mol#11, Title 14857, Original atoms vs New atoms: 18 vs 18
60: 
60: Mol#12, Title 14858, Original atoms vs New atoms: 19 vs 19
60: 
60: Mol#13, Title 19914, Original atoms vs New atoms: 15 vs 15
60: 
60: Mol#14, Title 20438, Original atoms vs New atoms: 19 vs 19
60: 
60: Mol#15, Title 20939, Original atoms vs New atoms: 12 vs 12
60: 
60: Mol#16, Title 20940, Original atoms vs New atoms: 20 vs 20
60: 
60: Mol#17, Title 21316, Original atoms vs New atoms: 19 vs 19
60: 
60: Mol#18, Title 21317, Original atoms vs New atoms: 13 vs 13
60: 
60: Mol#19, Title 21318, Original atoms vs New atoms: 17 vs 17
60: 
60: Mol#20, Title 21857, Original atoms vs New atoms: 15 vs 15
60: 
60: Mol#21, Title 23356, Original atoms vs New atoms: 22 vs 22
60: 
60: Mol#22, Title 23699, Original atoms vs New atoms: 22 vs 22
60: 
60: Mol#23, Title 24261, Original atoms vs New atoms: 3 vs 3
60: 
60: Mol#24, Title 24530, Original atoms vs New atoms: 4 vs 4
60: 
60: Mol#25, Title 24771, Original atoms vs New atoms: 10 vs 10
60: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iql_xmj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iqm_xmk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ish_enp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1isi_enq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ism_nca.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iss_mcg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1it6_cyu.sdf
 59/223 Test  #60: test_implicitH_1 .................   Passed    0.08 sec
test 61
        Start  61: test_lssr_1

61: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "lssrtest" "1"
61: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
61: Environment variables: 
61:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
61:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
61: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1itu_cil.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iut_pab.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ivc_st2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ivd_st1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ive_st3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ivp_1zk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ivq_0px.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ivr_cba.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iwh_pem.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ix1_bb2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ixn_dxp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iy7_cxa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1iyl_r64.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j01_xil.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j07_dcu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j0n_ceg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j14_ben.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j17_zen.sdf
61: Shuffling: aromatics.smi
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j1a_bhp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j20_as1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j2y_dqa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j3i_wra.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j4h_sub.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j4i_tst.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j4r_001.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1j51_tcz.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lel_bh7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lev_cli.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lf2_r37.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lf3_eh5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lgt_bp3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lhn_aon.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lhw_esm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1li4_noc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lij_rpp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ljr_gsh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1ljt_hdi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lk7_der.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lkd_bp6.sdf
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test 62
        Start  62: test_lssr_2

62: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "lssrtest" "2"
62: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
62: Environment variables: 
62:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
62:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
62: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lol_xmp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lpk_cbb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lpp_hds.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lpz_cmb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lqd_cmi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lr8_ihs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lt8_cbh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lv0_ger.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lvk_mnt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lvu_9pp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lw2_u05.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lwv_ang.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lww_brg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1lwx_azd.sdf
62: Shuffling: nci.smi
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1maq_pgu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mau_ltn.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/1mbx_ybt.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 6 N
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test 63
        Start  63: test_lssr_3

63: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "lssrtest" "3"
63: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
63: Environment variables: 
63:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
63:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
63: Test timeout computed to be: 1500
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/3nkr_nkr.sdf
63: Shuffling: attype.00.smi
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ans_vgh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4anu_em7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4anv_751.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4anw_o92.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4anx_534.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aof_7l0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aoi_4k0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aoj_v4z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aot_gw8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ap7_f47.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4app_n53.sdf
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test 64
        Start  64: test_lssr_4

64: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "lssrtest" "4"
64: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
64: Environment variables: 
64:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
64:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
64: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aq3_398.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aqc_88a.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aqk_i6p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4aql_txc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ara_c56.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4arb_c57.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ark_m3k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4as7_6lx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4as9_4qs.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4asg_814.sdf
64: Shuffling: rings/tetrahedron.mdl
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bel_b3p.sdf
64: Shuffling: rings/cubane.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bet_cdc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bfp_swy.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bge_pyw.sdf
64: Shuffling: rings/cubane2.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bgg_844.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bli_gmk.sdf
64: Shuffling: rings/octahedron.mdl
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bo2_36k.sdf
64: Shuffling: rings/bridged1.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bo3_u98.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4bo8_34x.sdf
64: Shuffling: rings/fullerene20.mdl
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4l6g_cnl.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4l7l_1va.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4l7n_1vb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4l7o_1vd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4l7p_m95.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4l7r_m00.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4l8z_rl1.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lae_1vm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lag_1vn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lah_1vo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lap_1vt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lau_w8x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4laz_1ww.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lb3_m15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lb4_1wx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lbr_4o9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lbs_4o8.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lce_kmt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lcf_1wl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lcg_1wm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lch_1wn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lcw_1vy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ldl_xqc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ldo_ale.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lek_1dn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4leq_1wk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lez_1sy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lfv_ys4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lga_a2o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lgb_1w7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lge_1y0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lgg_vgg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lgh_0jn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lgu_1yh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lh6_1x7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lh7_1x8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lhu_jls.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4li5_1wy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4li6_1xo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4li7_1xp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4li8_1xq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ljj_6ac.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lko_1wh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lkq_1xm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ll5_sk8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4llk_mew.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lm1_7ze.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lm2_8ze.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lm3_9ze.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lmn_eui.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lmt_cqd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ln7_1zq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4loi_1yc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lok_1yd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4loy_6xs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lp0_1ym.sdf
 63/223 Test  #64: test_lssr_4 ......................   Passed    0.90 sec
test 65
        Start  65: test_lssr_5

65: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "lssrtest" "5"
65: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
65: Environment variables: 
65:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
65:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
65: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lpb_1yp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lph_yl3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lqg_ctw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lrg_1xb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lrh_fol.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ls0_b3b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ls1_3x2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ls2_3xs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ls7_1x9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lsa_bld.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lsj_lsj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lsl_1yq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lsn_1yr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lts_lts.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4luf_2q5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4luo_1dz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4luz_1xt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lv9_20j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lva_20m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lvb_20n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lvd_1eb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lvf_20p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lvg_20o.sdf
65: Verify LSSR: rings/tetrahedron.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lw1_1xs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lwb_qj8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lwc_1xu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lwe_fj2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lwh_fj5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lwi_fj6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lwt_20q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lwu_20u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lwv_20w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lww_lww.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lxb_7r9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lxd_1xv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ly1_20y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ly9_1yy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lyn_1yg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lys_2sj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lyw_21q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4lzj_22h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m0e_1yl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m0f_1yk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m0r_644.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m0y_m0y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m0z_m0z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m10_icd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m11_mxm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m14_qws.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m1j_b0s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m2x_tmq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m3b_2b2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m3d_2h2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m3e_2b3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m3f_2d1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m3g_2g1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m3m_22n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m3q_24k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m49_22y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m4q_21a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m52_m52.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m5a_da2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m5g_yh1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m5h_yh2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m5i_yh6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m5k_yh3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m5l_yh4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m5n_yh7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m5o_x48.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m5u_20f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m6l_21v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m6p_20r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m6q_20t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m6u_ttn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m72_m72.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m74_m74.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m7b_28c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m7x_27q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m7y_2gh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m81_pnw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m82_ngb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m8e_29v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m8h_r4m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4m8l_5rp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ma7_p2z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4man_1y1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mb9_28f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mbc_28g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mbi_26k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mbl_26l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mbs_mrv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mc1_526.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mc6_23k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mc9_23l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mcb_21w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mcc_21x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mcd_22l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mcp_28z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mcq_29c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mcr_29d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mcv_29k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4md6_24e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mdd_29m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mdk_u94.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mdn_y30.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mdq_28w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mds_23h.sdf
65: Verify LSSR: rings/cubane.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mdt_24g.sdf
65: Verify LSSR: rings/cubane2.mdl
65: Verify LSSR: rings/octahedron.mdl
65: Verify LSSR: rings/bridged1.mdl
65: Verify LSSR: rings/fullerene20.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4med_rtx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mep_24y.sdf
65: Verify LSSR: rings/fullerene60.mdl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mes_26g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mf0_29z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mf1_29y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mf3_sxi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mfb_29t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mg7_27h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mgi_cmp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mgy_h07.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mgz_hr6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mh0_hr4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mh7_mh7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mha_4mh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mhw_0yn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mia_28l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mib_28m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mik_jil.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mjo_2c1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mjp_27o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mjq_27r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mjr_0la.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mju_27s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mjv_27v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mk0_29x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mk1_27y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mk2_28b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mk5_28a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mk7_28o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mk8_28q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mk9_28r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mka_2ay.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mkb_28v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mkc_4mk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mkt_1v6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mkt_28t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ml4_pye.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mle_vo1.sdf
 64/223 Test  #65: test_lssr_5 ......................   Passed    0.07 sec
test 66
        Start  66: test_isomorphism_1

66: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "1"
66: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
66: Environment variables: 
66:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
66:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
66: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mlh_vo2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mlp_2cx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mmm_bp7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mne_573.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mnf_29l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mns_2ax.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mnw_zbr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mnx_29n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mny_29o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mot_2b7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mpu_x2a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mpv_2a4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mpw_2aj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mpx_2av.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mq1_2c3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mq2_2c4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mq4_2d5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mq6_29w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mqa_x00.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4mqf_2bq.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n00_2ex.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n0s_dhc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n14_wr7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n1b_2fs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n1o_lsa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n1p_wm1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n1q_wm2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n1r_wm3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n1s_wm4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n1t_2gd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n1u_2ge.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n1z_n1z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n34_2f8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n3r_2gu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n4d_xx8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n4s_2h1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n4t_2gv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n4v_2gy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n4w_snt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n5g_k09.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n65_aqn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n6y_2hv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n6z_2hw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n70_2hx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n73_coh.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 5 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 24 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n7a_3ax.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n7e_2jq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n7u_2ja.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n86_gbj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n8d_2ks.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n8e_2kv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n8q_fa0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n8r_k08.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n8s_eac.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n93_6m1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n96_6ni.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n97_2hu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n98_4fc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n99_2j1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n9a_2j2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n9b_2hh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n9c_2zm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n9d_2hj.sdf
 65/223 Test  #66: test_isomorphism_1 ...............   Passed    0.06 sec
test 67
        Start  67: test_isomorphism_2

67: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "2"
67: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
67: Environment variables: 
67:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
67:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
67: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n9e_2hl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n9q_uq1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4n9s_8hx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4na7_1t5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4na8_1t6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4na9_1t7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nah_2vj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nak_pbq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nal_h70.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nan_2jm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nap_dtr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nat_2w5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nau_2w3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nb4_sh3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nc5_fsi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ncg_2kw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ncm_704.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nct_2k2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nda_niy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ne2_sh2.sdf
67: testIsomorphism2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nej_2k1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4neu_q1a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nev_2jr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nf5_2jj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nfi_jd5.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nyx_2o4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nz2_2qj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nz9_1jt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nzb_nse.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nzn_2ou.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4nzo_2ov.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4o04_2q8.sdf
67: 1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4o05_2q9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4o07_fgh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4o09_2r6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4o0a_2p9.sdf
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 66/223 Test  #67: test_isomorphism_2 ...............   Passed    0.05 sec
test 68
        Start  68: test_isomorphism_3

68: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "3"
68: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
68: Environment variables: 
68:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
68:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
68: Test timeout computed to be: 1500
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4o12_2qg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4o13_2p1.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4o1y_nla.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4o2a_2rr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4o2p_11v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4o33_tzn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4o3q_xg4.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4o4p_1c6.sdf
68: testIsomorphism3
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4o6l_2qk.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4o7b_2rj.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ojb_198.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ojq_2sx.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ojt_2wp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ok3_2sy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ok5_2t2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ok6_2t7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4okg_2sz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4oks_2t9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4old_2uz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4olh_2to.sdf
68: 2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4oli_2tt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ome_dgq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4omj_2tx.sdf
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 67/223 Test  #68: test_isomorphism_3 ...............   Passed    0.05 sec
test 69
        Start  69: test_isomorphism_4

69: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "4"
69: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
69: Environment variables: 
69:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
69:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
69: Test timeout computed to be: 1500
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4oqm_fdu.sdf
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69: testIsomorphism4
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69: 2
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4phu_2yb.sdf
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 68/223 Test  #69: test_isomorphism_4 ...............   Passed    0.05 sec
test 70
        Start  70: test_isomorphism_5

70: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "5"
70: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
70: Environment variables: 
70:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
70:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
70: Test timeout computed to be: 1500
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q2x_ggb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q4c_i8p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q4d_2yn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q4m_2yl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q4o_2ym.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q4p_2yo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q4q_saq.sdf
70: 3
70: 1
70: 2
70: 1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q4r_sqo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q4s_s98.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q5v_2ze.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q7b_2yz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q7n_2zo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q8b_sxx.sdf
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 69/223 Test  #70: test_isomorphism_5 ...............   Passed    0.05 sec
test 71
        Start  71: test_isomorphism_6

71: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "6"
71: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
71: Environment variables: 
71:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
71:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
71: Test timeout computed to be: 1500
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q8w_2yy.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q9s_30g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4q9z_pzw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4qa0_shh.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4qbj_2xq.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4qbx_30l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4qbz_d80.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4qc0_xg1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4qd3_5ae.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4qd6_30t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4qdd_30q.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4qdp_arb.sdf
71: testAutomorphismMask
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4qxs_wc1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4qye_3dl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4qyf_3dv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4qyg_3dw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4qyh_3dx.sdf
 70/223 Test  #71: test_isomorphism_6 ...............   Passed    0.06 sec
test 72
        Start  72: test_isomorphism_7

72: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "7"
72: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
72: Environment variables: 
72:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
72:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
72: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4qyy_3g7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4qzu_rtl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r06_3e7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r0i_3km.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r1q_sst.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r1v_3e8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r1y_3eh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r3c_3gf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r3m_jr9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r4c_3hs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r4i_3hv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r4o_3hw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r4q_3hz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r4t_3j0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r59_3j3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r5g_3je.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r5m_4no.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r5t_r5t.sdf
72: testAutomorphismMask2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r5v_r5v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r5x_r5x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r5y_3k3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r68_w31.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r69_w13.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r6a_hb2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r6e_3jd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r6n_mbg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r7h_p31.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r8y_3ko.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r91_3kt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r92_3ku.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r95_3kw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r9j_3lj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r9r_3kx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4r9s_3ky.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ra4_3kz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ra5_3l0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rab_3l3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rac_3l4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rak_652.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ram_pnm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ran_3l6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4raq_3l8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rbl_3o7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rc2_3o8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rc3_3oa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rc4_3ok.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rc5_pl3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rcd_3ll.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rce_3ln.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rcf_3lo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rch_3lz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rcv_de2.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4re9_3m9.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rfc_3o1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rfm_3p6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rfw_3rb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rfy_3ou.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rfz_3ov.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rg0_3p0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rg2_3oo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rgq_1gp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rhu_3qe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rhu_45t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rhx_3qf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rhy_3qg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rio_3qx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4riu_3qr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4riw_anp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rj4_3qw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rj5_3qy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rj6_3r0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rj7_3r1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rj8_3qs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rk8_3rv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rka_3ry.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rkx_3s9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rkz_3s4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rl0_3s0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rl2_3s3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rli_3sh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rll_e91.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rlo_3t3.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 21 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rlp_72b.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 1 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rls_49c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rlt_fse.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rlu_hcc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rlw_bun.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rmc_3sv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rmd_3sw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rme_3t2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rmg_3te.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rmi_3tk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rn0_l6g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rn1_l8g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rn2_l7g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rn6_15u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rnq_a4s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rpk_3ua.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rpl_3uc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rpn_pci.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rpo_t6c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rpq_3uh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rpu_3ue.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rpv_3ur.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rqk_r1s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rql_sne.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rqv_r2s.sdf
 71/223 Test  #72: test_isomorphism_7 ...............   Passed    0.05 sec
test 73
        Start  73: test_isomorphism_8

73: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "8"
73: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
73: Environment variables: 
73:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
73:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
73: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rr4_3v1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rrn_3uw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rro_3ux.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rrq_a3s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rrr_a3t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rrt_3v4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rrx_lur.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rsc_a3v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rse_a6v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rsk_u3p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rss_4mg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rt2_n6t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rt3_c6t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rt7_p30.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rv6_rpb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rv8_i13.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rvk_3xk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rvm_3x7.sdf
73: testAutomorphismPreMapping
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4rwv_piz.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4tw8_37m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4tw9_386.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4twc_37j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4twd_377.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4twn_b96.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4two_37w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4twt_38a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4tww_3a7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4tx0_384.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4tx6_38b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4txc_38g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4txe_38f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ty1_38w.sdf
73: 2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ty6_39d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ty7_39f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ty8_3av.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4tya_3ae.sdf
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 72/223 Test  #73: test_isomorphism_8 ...............   Passed    0.05 sec
test 74
        Start  74: test_isomorphism_9

74: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "isomorphismtest" "9"
74: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
74: Environment variables: 
74:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
74:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
74: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4tyd_3eo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4tyh_39g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4tyj_0li.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4tyl_39o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4tyo_39x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4tyt_s3c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4tz2_39r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4tz8_39u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4tzk_641.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4tzt_468.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u01_39w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u0j_566.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u0k_744.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u16_3c0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u2y_rzm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u2z_fmo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u31_mvp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u3b_3bw.sdf
74: testIsomorphism9
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u3d_3bx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u41_3c8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u43_3d8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u44_3d9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u45_3dc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u58_3c6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u5j_rxt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u5l_3d6.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u5o_3d5.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u8w_g10.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u8z_3fe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u91_3f7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u93_990.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4u96_lmt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uag_uag.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uai_3gg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ual_3fv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uau_xbp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uba_3g5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ubt_3g6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uc1_pp9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uc1_z0p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ucc_zkw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ucd_m81.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uce_mzs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uco_d41.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ucr_jcf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ucs_9mj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ucs_iwh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uct_5u1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ucu_8hc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ucv_i6g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ud9_fqi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ud9_tys.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4udb_cv7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4udw_n6l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uee_la9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uef_tje.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uez_lff.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uf0_mmk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ufd_s49.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ufe_3zd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uff_6v2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ufg_d6j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ufh_gif.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ufi_agk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ufj_if7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ufk_ldu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ufl_dzx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ufu_2zi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ufy_m3w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ufz_ia7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ug2_ngi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ug5_hem.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 39 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 41 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ug5_xfk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ug6_xfj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ug9_1ew.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ugc_1q6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uge_q15.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ugh_4v4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ugi_sko.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ugj_q1t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ugk_7s9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ugl_s90.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ugn_h49.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ugt_ugt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ugu_pqw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ugw_hw1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ugy_exi.sdf
 73/223 Test  #74: test_isomorphism_9 ...............   Passed    0.05 sec
test 75
        Start  75: test_multicml_1

75: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "multicmltest" "1"
75: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
75: Environment variables: 
75:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
75:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
75: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uh2_s84.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uh9_s85.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uhi_vfv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ui3_06r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ui4_rjn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ui5_bj4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ui6_ecz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ui7_vt3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ui8_iy5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uia_fh9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uib_gwx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uit_n1d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uiv_xzb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uiw_h1b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uix_tvu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uiy_5v2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uj1_nvx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uj2_nvv.sdf
75: 
75: # Testing handling of multi-molecule cml files...  
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uj9_s3n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uja_4l7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ujb_8bq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4um1_09p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ump_5qm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4umq_b5s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4umr_qbb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4umt_47w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4umu_0v0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4umx_vvs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4umz_xjo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4unn_qzz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4unp_txw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4unq_h6d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4unr_qze.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uns_qz3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4upj_u04.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4upn_7ln.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4upq_i5u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ups_6e5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uqh_25s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uqr_nrg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ur9_oan.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ura_lel.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4urk_a82.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4urm_xam.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uru_6w2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4urv_umk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4urw_dxo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4urx_fk1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4urx_hxy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4us8_hbx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4use_r09.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4usf_6ui.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4utr_gua.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4utu_lry.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4utv_fsl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4utw_rfw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4utx_3np.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4utz_0l1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uu7_jo3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uu8_woc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uub_su8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uuh_t40.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uv8_d69.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uv9_d70.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uva_d73.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvb_d51.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvc_d52.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvd_hrw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uve_ki5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvg_a0c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvh_uud.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvi_kxu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvn_cdj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvo_5ww.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvr_j5y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvu_u1t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvv_w8l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvw_nyj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvx_h2w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uvy_sgw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uw1_92r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uw3_50g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uw4_4s0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uw6_vv7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwb_jvt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwc_4y0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwf_eut.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwg_rbq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwh_jxm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwi_xmq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwj_7l5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwk_ujb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uwl_7a5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ux4_e9l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ux6_ywo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uxl_5p8.sdf
 74/223 Test  #75: test_multicml_1 ..................   Passed    0.05 sec
test 76
        Start  76: test_periodic_1

76: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "periodictest" "1"
76: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
76: Environment variables: 
76:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
76:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
76: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uxu_mlk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uy1_tjm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uye_9f9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uyg_73b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uyh_9s3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uyn_y3m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uzd_qmn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4uzh_jve.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4v0i_j82.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4v24_gyr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4v3v_s8f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4v3x_4e8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4v3y_hlw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4vgc_srd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w1o_3gj.sdf
 75/223 Test  #76: test_periodic_1 ..................   Passed    0.01 sec
test 77
        Start  77: test_periodic_2

77: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "periodictest" "2"
77: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
77: Environment variables: 
77:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
77:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
77: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w4v_3h8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w4w_3hj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w4x_3hn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w4y_3hq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w5b_3h5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w5c_3h6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w5c_3h7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w5s_3j1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w63_htb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w6e_3j5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w7p_3j7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w8d_3ja.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w8e_3jb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w93_3l9.sdf
 76/223 Test  #77: test_periodic_2 ..................   Passed    0.01 sec
test 78
        Start  78: test_periodic_3

78: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "periodictest" "3"
78: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
78: Environment variables: 
78:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
78:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
78: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w9o_3jq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w9p_3jr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w9q_3jp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w9s_3k1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w9x_3jw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4w9y_3k0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wa9_axi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wag_3k7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wbo_anw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wcu_3kq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wdt_wdt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wdu_wdu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wdw_wdw.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wrs_3u1.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ws4_5nu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ws6_wbu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ws7_5uc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ws8_tul.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wsy_3u5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wt2_3ud.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wt6_3u6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wtc_cdp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wtf_5gs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wtg_6gs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wtu_3ut.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wua_3ul.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wup_3uf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wuq_3ug.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wuy_3uj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wvd_ivm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wvl_3us.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wvo_3uz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ww8_vd9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wwn_3vc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wwo_3vd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wwp_3ve.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wxf_plg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wxg_2bo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wxh_3vl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wxi_3vm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wxr_3vz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wy3_3x5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wyo_3w2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wz8_3w7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4wzc_1uc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x0m_3wa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x1g_3wf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x1g_3wg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x1r_pl0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x1y_loc.sdf
 77/223 Test  #78: test_periodic_3 ..................   Passed    0.05 sec
test 79
        Start  79: test_periodic_4

79: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "periodictest" "4"
79: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
79: Environment variables: 
79:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
79:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
79: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x21_3wh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x2a_3wl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x2f_3wj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x2g_3wk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x2i_3x0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x2j_3wn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x2k_3wo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x2p_3py.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x2u_tod.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x36_cht.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x3c_tnh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x3j_3wr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x3o_3y0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x3p_3lx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x3r_686.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x3t_45e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x4l_3xg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x5p_3xj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x5q_3xn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x5r_3xo.sdf
 78/223 Test  #79: test_periodic_4 ..................   Passed    0.01 sec
test 80
        Start  80: test_regressions_1

80: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "1"
80: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
80: Environment variables: 
80:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
80:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
80: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x5y_3xw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x5z_3xy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x60_3xv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x6e_42h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x6f_3xu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x6h_3xt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x6i_3y1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x6m_3y3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x6n_3y5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x6o_3y4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x6p_3yu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x6t_3y6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x6x_s74.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x6y_s94.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x7h_3z2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x7i_3ys.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x7j_3z1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x7k_3z3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x7l_3z4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x7n_3z5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x7x_3zp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x86_cps.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x8c_3yz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x8e_avj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x8g_3z0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4x8s_3z7.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xkc_md9.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 15 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 28 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4xkx_43k.sdf
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test 81
        Start  81: test_regressions_221

81: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "221"
81: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
81: Environment variables: 
81:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
81:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
81: Test timeout computed to be: 1500
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4y9b_mks.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4y9e_mkt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4y9g_mku.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ya8_49w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yab_4cn.sdf
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test 82
        Start  82: test_regressions_222

82: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "222"
82: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
82: Environment variables: 
82:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
82:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
82: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yad_4a7.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ybs_4bk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4ybt_4bv.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yc9_4c1.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yps_4f6.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yq1_4fn.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yq3_4g1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yq4_4g3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yq5_4g0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yq6_4fx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yq7_4g4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yq8_4fv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yq9_4go.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yqa_4gn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yqb_4gm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yqc_efw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yqd_4gz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yqg_4gy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yqh_4f7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yqi_4gx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yqj_4gt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yqk_4gs.sdf
 81/223 Test  #82: test_regressions_222 .............   Passed    0.05 sec
test 83
        Start  83: test_regressions_223

83: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "223"
83: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
83: Environment variables: 
83:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
83:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
83: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4yql_4h4.sdf
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test 84
        Start  84: test_regressions_224

84: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "224"
84: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
84: Environment variables: 
84:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
84:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
84: Test timeout computed to be: 1500
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4zu6_oas.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4zul_un1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4zum_fks.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4zun_ss9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4zuo_xs6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4zup_5xa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4zuq_6xa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4zur_7xa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4zvi_4s4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4zvk_et.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4zvl_ao.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4zvv_gn0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4zvz_4tf.sdf
 83/223 Test  #84: test_regressions_224 .............   Passed    0.05 sec
test 85
        Start  85: test_regressions_225

85: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "225"
85: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
85: Environment variables: 
85:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
85:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
85: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/4zw1_4v1.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5a7s_s2x.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5a81_78j.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5a86_d7e.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5a8x_iuy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5a8y_vbm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5a8z_iul.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aad_5gx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aae_7hd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aaf_nl4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aag_6f2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aal_8l8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aap_vny.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aau_xbr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ab9_92o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aba_ul7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5abe_xqo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5abf_xrj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5abg_v0n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5abh_ywn.sdf
 84/223 Test  #85: test_regressions_225 .............   Passed    0.05 sec
test 86
        Start  86: test_regressions_226

86: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "226"
86: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
86: Environment variables: 
86:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
86:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
86: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5abw_wqq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5abz_z47.sdf
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86: Rep: 0
86:   0 [H] --> [H] ([H])
86:   1 [H][H] --> [H][H] ([H][H])
86:   2 [HH] --> [HH] ([HH])
86:   3 C --> C (C)
86:   4 [C] --> [C] ([C])
86:   5 [CH] --> [CH] ([CH])
86:   6 [CH3] --> [CH3] ([CH3])
86:   7 [CH4] --> C (C)
86:   8 [CH5] --> [CH5] ([CH5])
86:   9 C[H] --> C (C)
86:   10 [C][H] --> [CH] ([CH])
86:   11 [CH3][H] --> C (C)
86:   12 [CH2]([H])[H] --> C (C)
86:   13 [U][H] --> [UH] ([UH])
86:   14 [UH2] --> [UH2] ([UH2])
86:   15 [C@@H](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I)
86:   16 Br[C@@H](Cl)I --> Br[C@@H](Cl)I (Br[C@@H](Cl)I)
86:   17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I)
86:   18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I)
86:   19 [H][C@@](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I)
86:   20 C[H:1] --> C (C)
86:   21 C[2H] --> C[2H] (C[2H])
86:   22 c1ccccc1 --> c1ccccc1 (c1ccccc1)
86:   23 c1cnccc1 --> c1cnccc1 (c1cnccc1)
86:   24 c1c[nH]cc1 --> c1c[nH]cc1 (c1c[nH]cc1)
86:   25 F[I]F --> F[I]F (F[I]F)
86: Rep: 1
86:   0 [H] --> [H] ([H])
86:   1 [H][H] --> [H][H] ([H][H])
86:   2 [HH] --> [HH] ([HH])
86:   3 C --> C (C)
86:   4 [C] --> [C] ([C])
86:   5 [CH] --> [CH] ([CH])
86:   6 [CH3] --> [CH3] ([CH3])
86:   7 [CH4] --> C (C)
86:   8 [CH5] --> [CH5] ([CH5])
86:   9 C[H] --> C[H] (C[H])
86:   10 [C][H] --> [C][H] ([C][H])
86:   11 [CH3][H] --> C[H] (C[H])
86:   12 [CH2]([H])[H] --> C([H])[H] (C([H])[H])
86:   13 [U][H] --> [U][H] ([U][H])
86:   14 [UH2] --> [UH2] ([UH2])
86:   15 [C@@H](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I)
86:   16 Br[C@@H](Cl)I --> Br[C@@H](Cl)I (Br[C@@H](Cl)I)
86:   17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I)
86:   18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I)
86:   19 [H][C@@](Br)(Cl)I --> [H][C@@](Br)(Cl)I ([H][C@@](Br)(Cl)I)
86:   20 C[H:1] --> C[H] (C[H])
86:   21 C[2H] --> C[2H] (C[2H])
86:   22 c1ccccc1 --> c1ccccc1 (c1ccccc1)
86:   23 c1cnccc1 --> c1cnccc1 (c1cnccc1)
86:   24 c1c[nH]cc1 --> c1c[nH]cc1 (c1c[nH]cc1)
86:   25 F[I]F --> F[I]F (F[I]F)
86: Rep: 2
86:   0 [H] --> [H] ([H])
86:   1 [H][H] --> [H][H] ([H][H])
86:   2 [HH] --> [H][H] ([H][H])
86:   3 C --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
86:   4 [C] --> [C] ([C])
86:   5 [CH] --> [C][H] ([C][H])
86:   6 [CH3] --> [C]([H])([H])[H] ([C]([H])([H])[H])
86:   7 [CH4] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
86:   8 [CH5] --> [C]([H])([H])([H])([H])[H] ([C]([H])([H])([H])([H])[H])
86:   9 C[H] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
86:   10 [C][H] --> [C][H] ([C][H])
86:   11 [CH3][H] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
86:   12 [CH2]([H])[H] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
86:   13 [U][H] --> [U][H] ([U][H])
86:   14 [UH2] --> [U]([H])[H] ([U]([H])[H])
86:   15 [C@@H](Br)(Cl)I --> [C@](Br)(Cl)(I)[H] ([C@](Br)(Cl)(I)[H])
86:   16 Br[C@@H](Cl)I --> Br[C@@](Cl)(I)[H] (Br[C@@](Cl)(I)[H])
86:   17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I)
86:   18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I)
86:   19 [H][C@@](Br)(Cl)I --> [H][C@@](Br)(Cl)I ([H][C@@](Br)(Cl)I)
86:   20 C[H:1] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
86:   21 C[2H] --> C([2H])([H])([H])[H] (C([2H])([H])([H])[H])
86:   22 c1ccccc1 --> c1(c(c(c(c(c1[H])[H])[H])[H])[H])[H] (c1(c(c(c(c(c1[H])[H])[H])[H])[H])[H])
86:   23 c1cnccc1 --> c1(c(nc(c(c1[H])[H])[H])[H])[H] (c1(c(nc(c(c1[H])[H])[H])[H])[H])
86:   24 c1c[nH]cc1 --> c1(c(n(c(c1[H])[H])[H])[H])[H] (c1(c(n(c(c1[H])[H])[H])[H])[H])
86:   25 F[I]F --> F[I]F (F[I]F)
86: Rep: 3
86:   0 [H] --> [#1] ([#1])
86:   1 [H][H] --> [#1][#1] ([#1][#1])
86:   2 [HH] --> [#1] ([#1])
86:   3 C --> C (C)
86:   4 [C] --> C (C)
86:   5 [CH] --> C (C)
86:   6 [CH3] --> C (C)
86:   7 [CH4] --> C (C)
86:   8 [CH5] --> C (C)
86:   9 C[H] --> [C!H0] ([C!H0])
86:   10 [C][H] --> [C!H0] ([C!H0])
86:   11 [CH3][H] --> [C!H0] ([C!H0])
86:   12 [CH2]([H])[H] --> [C!H0!H1] ([C!H0!H1])
86:   13 [U][H] --> [U!H0] ([U!H0])
86:   14 [UH2] --> [U] ([U])
86:   15 [C@@H](Br)(Cl)I --> [C](Br)(Cl)I ([C](Br)(Cl)I)
86:   16 Br[C@@H](Cl)I --> Br[C](Cl)I (Br[C](Cl)I)
86:   17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I)
86:   18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I)
86:   19 [H][C@@](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I)
86:   20 C[H:1] --> [C!H0] ([C!H0])
86:   21 C[2H] --> C[2#1] (C[2#1])
86:   22 c1ccccc1 --> c1ccccc1 (c1ccccc1)
86:   23 c1cnccc1 --> c1cnccc1 (c1cnccc1)
86:   24 c1c[nH]cc1 --> c1cncc1 (c1cncc1)
86:   25 F[I]F --> FIF (FIF)
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aqg_zjb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aqh_zvo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aqj_q88.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aqn_jg8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aqp_1lq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aqq_bbw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aqr_n8y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aqs_1sq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aqu_ux0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aqv_kc7.sdf
 85/223 Test  #86: test_regressions_226 .............   Passed    0.05 sec
test 87
        Start  87: test_regressions_227

87: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "227"
87: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
87: Environment variables: 
87:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
87:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
87: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aqw_5p7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5aqz_sgv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ar0_gb8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ar4_sb2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ar5_iq7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ar7_sr8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ar8_xyw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5arf_i9h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5arg_h41.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5auy_mri.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5av0_47x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5avi_4km.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5awa_m8d.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ax9_4kt.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5b0x_hck.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5b25_4qj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5b2v_w06.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5b2y_w10.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5b5g_6fx.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bo3_7p2.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5boj_4tx.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bpy_4uq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bq0_4us.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bqg_4uj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bqh_4uk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bqi_4ul.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bqx_4ur.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5brn_4x2.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bs4_4ux.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bs8_mfx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bsk_4x7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bst_4uu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bsu_4uv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bsv_4uw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bt3_2lo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5btd_gfn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5btg_lfx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5btl_8mx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bue_4v8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bui_4v9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5buj_4vb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bv6_35g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bvd_4vf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bve_4vg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bvf_4vj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bvk_4vc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bvn_4vd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bvo_4ve.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bwb_4vv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bwz_xch.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bx0_4w5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bx1_4xa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5bya_4wz.sdf
 86/223 Test  #87: test_regressions_227 .............   Passed    0.06 sec
test 88
        Start  88: test_regressions_228

88: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "228"
88: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
88: Environment variables: 
88:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
88:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
88: Test timeout computed to be: 1500
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5cg4_6uv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5cga_kp6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5cgb_51c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5cgc_51d.sdf
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 87/223 Test  #88: test_regressions_228 .............   Passed    0.06 sec
test 89
        Start  89: test_regressions_240

89: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "240"
89: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
89: Environment variables: 
89:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
89:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
89: Test timeout computed to be: 1500
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test 90
        Start  90: test_regressions_241

90: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "241"
90: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
90: Environment variables: 
90:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
90:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
90: Test timeout computed to be: 1500
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test 91
        Start  91: test_regressions_242

91: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "242"
91: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
91: Environment variables: 
91:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
91:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
91: Test timeout computed to be: 1500
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5e7v_m7e.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5e88_5kt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5e8a_5ks.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5e8z_5l4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5e97_npo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5e9c_5kv.sdf
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 1).
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5e9c_uap.sdf
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 2).
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 3).
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 4).
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 5).
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 6).
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 7).
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 8).
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 9).
91: ==============================
91: *** Open Babel Warning  in parseAtomRecord
91:   WARNING: Problems reading a PDBQT file
91:   Problems reading a HETATM or ATOM record.
91:   According to the PDBQT specification,
91:   columns 72-76 should contain charge of the atom
91:   but OpenBabel found '      ' (atom 10).
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5e9i_f60.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5e9x_5la.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ea3_5nk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ea4_5nm.sdf
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 90/223 Test  #91: test_regressions_242 .............   Passed    0.05 sec
test 92
        Start  92: test_regressions_1794

92: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "1794"
92: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
92: Environment variables: 
92:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
92:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
92: Test timeout computed to be: 1500
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test 93
        Start  93: test_regressions_2111

93: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "regressionstest" "2111"
93: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
93: Environment variables: 
93:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
93:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
93: Test timeout computed to be: 1500
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f3c_5u8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f3d_5uk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f3e_5uo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f3f_5us.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f3g_5ul.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f3t_5uh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f3z_5v5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f41_5v6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f4n_5uy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f5a_5v0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f5c_5v3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f5i_5v1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f5z_5vy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f6d_5vj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f6r_5vo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f6u_5vk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f6w_5vl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f6y_5vm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f79_4v7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f8p_fij.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f8x_mrz.sdf
93: ==============================
93: *** Open Babel Warning  in InChI code
93:   #1 :Omitted undefined stereo
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f91_5wj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f94_3uo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f95_3up.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5f9e_5vs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fah_5vt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5faj_dcs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fbe_5w5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fbi_5wd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fbk_tcr.sdf
 92/223 Test  #93: test_regressions_2111 ............   Passed    0.06 sec
test 94
        Start  94: test_rotor_1

94: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "rotortest" "1"
94: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
94: Environment variables: 
94:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
94:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
94: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fbl_5w9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fbn_5wf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fbo_5wh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fbr_5w7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fbv_5w3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fbw_5w8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fbx_5w4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fc4_5wk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fc4_5wl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fc6_ap2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fck_5wc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fcw_5ya.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fd2_5xj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fdl_5dv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fdo_5x2.sdf
 93/223 Test  #94: test_rotor_1 .....................   Passed    0.01 sec
test 95
        Start  95: test_rotor_2

95: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "rotortest" "2"
95: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
95: Environment variables: 
95:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
95:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
95: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fdp_5wr.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fsn_6q3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fso_s76.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ftg_nbr.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 8 N
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 27 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fto_ymx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ftq_u4w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fum_sof.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fve_2ho.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fvp_wos.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fvy_w64.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fwg_gpr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fwr_3x8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fxq_gd5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fxr_8ln.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fxs_ozn.sdf
59: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 29 N
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fy8_n81.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fyb_77j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fym_2hg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fyt_wqs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fyu_by4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fyv_oaa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fyy_n6y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fyz_nyk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fz0_dj6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fz1_w77.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fz6_mn1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5fz7_wgt.sdf
 94/223 Test  #95: test_rotor_2 .....................   Passed    0.05 sec
test 96
        Start  96: test_rotor_3

96: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "rotortest" "3"
96: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
96: Environment variables: 
96:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
96:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
96: Test timeout computed to be: 1500
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5h3q_7hf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5h4i_7hq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5h4j_fkm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5h73_7l7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5h7o_7q7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5h85_5xs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5h8b_5y2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5h8e_5y3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5h8g_5y4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5h8m_lmr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5h8x_5xt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5h9p_td2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5h9r_tgz.sdf
 95/223 Test  #96: test_rotor_3 .....................   Passed    0.05 sec
test 97
        Start  97: test_rotor_4

97: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "rotortest" "4"
97: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
97: Environment variables: 
97:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
97:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
97: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ha1_rne.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ha7_wy1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hbe_5y6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hbh_5y7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hbj_5y8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hbm_nvp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hco_601.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hct_61p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hcv_60r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hcx_60b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hcy_60d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hcz_60e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hd0_60y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hdb_5yb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hdu_60w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hdv_60v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hdx_60u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5he1_zs2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5he2_f0s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5he3_ff1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5he4_60t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5he5_60s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5he7_60x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hes_032.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hex_604.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hf2_u75.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hfu_603.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hg1_62c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hh5_60m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hh6_60n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hhw_60o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hi3_63o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hi4_63p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hi5_63q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hi7_62x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hib_63m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hic_63n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hid_b1e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hin_1kl.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hiq_60q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5his_60p.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hkm_61y.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hmx_lnx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hmy_lny.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hmz_lnz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hn0_lnn.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hng_62o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hnu_65d.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ho8_63e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hoa_63k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hpb_63w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hpw_3cj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hqe_64b.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hqz_64j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hrn_65p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hrv_64c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hrw_64e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hrx_64f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hs3_ki3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hs6_j3z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hsr_63y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hss_64z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hss_650.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ht4_65j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ht5_65h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5htb_6l5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5htc_66m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5htc_66n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hti_66l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5htz_66j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hu0_66h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hu1_66f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hu9_66k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hui_65n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5huu_g6p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hvb_65o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hve_65q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hvk_sep.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hvs_65v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hvt_nvs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hvu_65r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hvy_66x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hwe_mha.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hx6_65u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hx8_66p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hy1_wdl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hyk_65w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hz5_65x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hz6_65y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hz8_65z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hz9_5m8.sdf
 96/223 Test  #97: test_rotor_4 .....................   Passed    0.06 sec
test 98
        Start  98: test_shuffle_1

98: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "shuffletest" "1"
98: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
98: Environment variables: 
98:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
98:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
98: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5hzn_66a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5i02_pk2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5i09_1ud.sdf
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98: ==================== start doRoundtrip =========================
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98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5isb_6cx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5isc_6d0.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5isd_6cz.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ise_6d2.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5isf_6d4.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ish_765.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5isk_6lz.sdf
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98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iso_992.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ita_6dc.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iu6_7hx.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iu7_6dy.sdf
98: ==================== start doRoundtrip =========================
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98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
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98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iub_6dv.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iug_729.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iui_45q.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iuq_6e1.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iut_32m.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iv0_6e9.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ivc_6e7.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ive_6e8.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ivf_6eb.sdf
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ivj_6ed.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ivq_6eh.sdf
98: ==================== end doRoundtrip =========================
98:  True Shuffling: CC(=O)O.N=C\1/C=C/C(=C(/c2ccc(N)cc2)\c2ccc(N)c(C)c2)/C=C1
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98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ivv_6en.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ivy_6eo.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iw0_6ep.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iw8_6ec.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iwc_6eq.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iwe_w81.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iwf_lqt.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iwg_iwx.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ix0_6ez.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ixk_6ew.sdf
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ixs_6ey.sdf
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ixs_txd.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ixy_gn2.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iyy_r40.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5iz0_6f1.sdf
98: ==================== end doRoundtrip =========================
98:  True Shuffling: CCNc1ccc(cc1)/C(=C/1\C=C/C(=N)/C=C1)/c1ccc(N(CC)CC)c(C)c1
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98: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j1r_6fg.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j1u_p93.sdf
98: ==================== start doRoundtrip =========================
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98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j1w_6fb.sdf
98: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j1y_p87.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j3j_hl1.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j3l_6fr.sdf
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j3z_6fq.sdf
98: ==================== start doRoundtrip =========================
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98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j47_6jj.sdf
98: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j4k_6fz.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j4v_6jh.sdf
98: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j5f_6gh.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j5g_6gf.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j5h_6gk.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j5i_6gm.sdf
98: ==================== end doRoundtrip =========================
98:  True Shuffling: C[C@H]1CCCCN1/C=C/1\C(=O)O[C@@](C)(CC)OC1=O
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98: ==================== start doRoundtrip =========================
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98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j5t_6g2.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
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98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j63_g3n.sdf
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98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j7b_6gd.sdf
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98: ==================== start doRoundtrip =========================
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98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j7f_6gg.sdf
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98: ==================== start doRoundtrip =========================
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98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j7h_6gy.sdf
98:  True Shuffling: N=C\1/C=C/C(=C(\c2ccc(N)cc2)/c2ccc(N)c(C)c2)/C=C1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j7q_6h2.sdf
98: ref = N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1
98: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j86_6gw.sdf
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98: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j8l_tgj.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j8o_6gz.sdf
98: ==================== start doRoundtrip =========================
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98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j8z_fc4.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j95_6hh.sdf
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5j9f_83a.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ja3_u06.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jal_6ho.sdf
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98: ==================== start doRoundtrip =========================
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98: ==================== end doRoundtrip =========================
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98: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jas_6hw.sdf
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98: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jau_6hu.sdf
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98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: N=C\1/C=C/C(=N\Cc2ccc(N)cc2)/C=C1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jaz_lc5.sdf
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98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jcm_isd.sdf
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98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jct_6jq.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jcu_gvx.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jd7_6jr.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jdg_mys.sdf
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jeb_6js.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jf2_sf7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jf3_sf5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jf4_6jt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jf5_7jt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jf7_6ju.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jfo_6ka.sdf
98: ==================== end doRoundtrip =========================
98:  True Shuffling: [O+]#C[Fe+]1234(C#[O+])(/C=C/CCC/C=C/[Fe+]5678(C#[O+])(C#[O+])[C@H]9C7=C6C5=C89)[C@H]5C3=C2C1=C45.F[B-](F)(F)F
98: ref = F[B-](F)(F)F.[O+]#C[Fe+]1234(C#[O+])(/C=C/CCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9C7=C6C5=C89)C5C3=C2C1=C45
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jfp_6kk.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jfr_6kp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jfs_6k0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jfv_6k1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jfw_6k2.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jfx_6k4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jg0_uc9.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jg1_6kr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jgd_6kd.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jgm_810.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jgo_6jx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jgq_6jy.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jha_6k7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jhb_6k5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jhh_ra0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jhk_6k8.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jhu_6ko.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ji6_6kn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jib_oia.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jic_n7e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jid_8pf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jix_6j7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jiz_6fw.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jjr_68e.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jjs_6l2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jkg_6lf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jlj_6l8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jm5_6lg.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jmn_ete.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jmp_lc7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jmw_l50.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jmx_dz5.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jmy_6ld.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jn9_ezl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jna_tor.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jnc_6lh.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jnl_l54.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jnw_6lj.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jo0_l56.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jo1_6lm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jo3_6lk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jog_6lt.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5joh_6m3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5joy_6lw.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jq7_t0r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jr3_4mu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jrq_6n9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jrs_6mv.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5js3_6mg.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jsg_6p9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jsj_6pd.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jsm_6nb.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jsq_6ms.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jss_6ng.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jsv_6mq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jsw_6mm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jt0_xdx.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jt2_6nc.sdf
98:  True Shuffling: [O+]#C[Fe+]1234(C#[O+])(/C=C/CCCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9=C6C7=C5[C@@H]89)C5=C3C2=C1[C@H]45.F[B-](F)(F)F
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jt5_6nk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jt6_6n1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jt7_6n2.sdf
98: ref = F[B-](F)(F)F.[O+]#C[Fe+]1234(C#[O+])(/C=C/CCCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9C7=C6C5=C89)C5C3=C2C1=C45
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jt9_7af.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jun_6nu.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jur_6ns.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5juw_6nr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5juz_yl4.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jv0_yl5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jv1_yl6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jv2_6o3.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jvd_6nl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jvi_6qc.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jwm_6on.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jxn_6nn.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jxq_6ok.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jy3_6ox.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jyp_zbs.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jyy_6py.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jz9_6or.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jzb_6ot.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jzn_gui.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5jzs_fgz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k00_6pv.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k01_6ow.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k03_6p4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k05_6p5.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k0b_6ps.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k0e_6oz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k0f_6p1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k0g_6pm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k0i_6pw.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k0j_6p2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k0k_6q1.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k0m_6pu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k0n_6p0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k0s_0ou.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k0t_415.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k0x_k0x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k13_6q7.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k14_ib1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k1i_6pt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k1v_6px.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k32_6q2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k3n_6q6.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k3y_6q4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k4i_6qb.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k4l_6qn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k51_6qd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k5e_6qs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k5n_6qh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k6e_6qp.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5k6j_6qq.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kpq_6x2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kpr_pau.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kq5_6vt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kqd_pkz.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kqg_6vx.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kql_6vy.sdf
98: ref = O1[C@@H]2[C@@H]1[C@@H]1O[C@H]1[C@H]1[C@H]([C@@H]3[C@H]2O3)O1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kr1_017.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kr7_6x9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5krh_6wn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kri_6wm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5krj_6wp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5krk_6wq.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kro_6ww.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ksx_7am.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ktp_itn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kts_ciz.sdf
98: ref = C1=C[C@H]2[C@@H]1[C@]1(N=N[C@]2(Cc2ccccc2)[C@@H]2[C@H]1C=C2)Cc1ccccc1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ktu_6xb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ktw_6xg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ktx_6xh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ku8_6xk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ku9_6xj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kuk_dmu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kup_6xl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kv8_6y6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kv9_i57.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kwh_6xt.sdf
98: ==================== end doRoundtrip =========================
98: ref = c1ccc2c(c1)O[Cu@]13[N+](=C2)CCC[O+]1[Cu@]12[O+]3CCC[N+]2=Cc2c(O1)cccc2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kww_6ya.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kx7_6yd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kx8_6ye.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kxa_6y7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kya_6y4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kyj_6y8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kyv_slu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kz0_6yl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kz7_6z2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kz8_6z5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kzd_rcj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kzi_6yn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5kzq_6ys.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l01_6z4.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l03_6zb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l0b_6zm.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l0e_6zn.sdf
98: ref = CN1C[C@@H]2CN(C[C@H](C1)[C@@]2(O)c1ccccc1)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l0k_6zo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l0n_6za.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l11_rjw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l13_6ze.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l1j_6og.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l1p_7pt.sdf
98: ==================== end doRoundtrip =========================
98: ref = C1CCC2N(C1)[C@@H]1CCCCN1[C@@H]1N2CCCC1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l1q_7df.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l1w_7pf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l2j_70e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l2k_6ul.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l2m_6zy.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l2n_6zu.sdf
98: ref = CN1[C@@H]2CC(=O)C[C@H]1[C@H]1C[C@@H]2C1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l2s_6zv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l2t_6zz.sdf
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l2y_70d.sdf
98: ref = CCCCCCCCCCCCCCCCCCSC[C@]12[C@H](COS(=O)(=O)O)[C@@H](COS(=O)(=O)O)[C@H](c3c1cccc3)c1c2cccc1.[NaH]
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l2z_70c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l30_70a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l3a_6dp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l3e_e11.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l3j_6g9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l42_6j6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l4i_6j3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l4n_6qt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l4q_lkb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l4s_6kx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l4t_6ls.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l4u_6ks.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l4v_6kw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l4w_6kh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l4x_6ku.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l4y_6k3.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l57_6n3.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l58_6mx.sdf
98: ==============================
98: *** Open Babel Warning  in ParseSmiles
98:   Failed to kekulize aromatic SMILES
98: 
98: ref = O=C(c1cc(ccc1O)S(=O)(=O)O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc(ccc1O)S(=O)(=O)O.CN1[CH]C=CC=C1.[NaH].Cl
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l6x_6sg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l72_6pf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l7e_6q0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l7g_6qe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l7h_6qg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l7i_vis.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l7p_buu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l7t_6qj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l7w_6qu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l7y_6qo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l8d_6rp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l8t_6rr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l8u_6rs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l96_6rz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l97_6rw.sdf
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l98_6ry.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l99_6s0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5l9z_gux.sdf
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lav_6sk.sdf
98:  True Shuffling: F[Po@SP1](Cl)(Br)I
98: ref = F[Po@SP1](I)(Br)Cl
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5law_6sj.sdf
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lay_6ss.sdf
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: F[Po@SP2](Br)(Cl)I
98: ref = F[Po@SP1](I)(Br)Cl
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5laz_6st.sdf
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lba_6sv.sdf
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lbq_767.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lbt_6t0.sdf
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98:  True Shuffling: F[Po@SP3](Cl)(I)Br
98: ref = F[Po@SP1](I)(Br)Cl
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
98: ==================== start doRoundtrip =========================
98: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lbw_v0l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lby_6t2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lbz_6t3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ldg_it9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lfa_dlz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lga_6vh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lge_6vn.sdf
 97/223 Test  #98: test_shuffle_1 ...................   Passed    0.32 sec
test 99
        Start  99: test_shuffle_2

99: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "shuffletest" "2"
99: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
99: Environment variables: 
99:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
99:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
99: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lgn_6w0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lgo_6vz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lgp_lpd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lgr_qvr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lgt_6w3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lgu_6w1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lh8_6wh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lhb_6wj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lhg_6x3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lhh_6x0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lhi_6x5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5li6_6xf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5li7_6xd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lia_6xn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lif_6xo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lix_mk4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5liy_dqp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lj0_6xx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lj2_6xw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ljq_anv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ljt_a6n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lkj_6yb.sdf
99:  True Shuffling: Br.CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1SC(=O)CCCCn1ccccc1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lkr_6yc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lkt_bco.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lkx_1vu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lkz_coo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ll5_6yh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lla_6yq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5llc_v26.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lle_v51.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5llh_v49.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5llo_5ef.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5llp_6z9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lls_6z8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lma_6zg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lmb_6zf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lmd_rc4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lmk_6zk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ln2_6zt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lny_70k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lnz_70z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lo1_70l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lo5_70m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lo6_70o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lp1_71h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lp6_71p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lpk_xdm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lpl_71x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lpm_71y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lpo_725.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lpq_72c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lpt_726.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lqc_542.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lqf_4sp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lqk_72m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lqn_72o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lqq_72p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lqr_72w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lr6_731.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lr7_73j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lre_ks3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lrl_73s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ls1_73z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ls6_74d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lsg_qzq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lu6_i22.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lu8_5kn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lu9_3y7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lv2_lhb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lv2_sao.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lv3_lhf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lvd_79f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lvo_78w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lvr_78y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lw9_5uj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lwb_79h.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lwd_79e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lwe_79k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lwm_79t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lwn_79r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lwr_7b2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lwt_7b3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lx3_7a1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lx5_7a0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lx5_dpo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lx6_78p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lxc_7aa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lxd_7a7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lxp_7ag.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lyd_7b0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lyf_7b6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lyh_7b8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lyi_t4f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lyj_7ba.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lyl_t5f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lyq_7be.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lyw_7bh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lyx_7bf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lyy_7bj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lz2_7bx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lz4_7bw.sdf
99: ==============================
99: *** Open Babel Warning  in ParseSmiles
99:   Failed to kekulize aromatic SMILES
99: 
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lz5_7k4.sdf
99: ref = O=C(Sc1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C)CCCCN1[CH]C=CC=C1.Br
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lz7_7bk.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lz8_7bp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lz9_7br.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lzg_7bn.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lzi_7bq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lzi_7db.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5lzj_7bt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5m05_52e.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5m0d_7c8.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5m0e_7cr.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5m0m_7cf.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5m0s_7cw.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5m12_7d0.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5m16_7d2.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5m1e_7d9.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5m23_7dc.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5m25_7du.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5m2f_uv8.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5m2v_7e5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5m44_7ey.sdf
99: ==================== end doRoundtrip =========================
99:  True Shuffling: Br.CC(=O)Nc1cccc(c1)S(=O)(=O)c1cccc(NC(=O)c2ccccc2SC(=O)CCCCn2ccccc2)c1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5m4i_7fc.sdf
99: ==============================
99: *** Open Babel Warning  in ParseSmiles
99:   Failed to kekulize aromatic SMILES
99: 
99: ref = CC(=O)Nc1cccc(c1)S(=O)(=O)c1cccc(c1)NC(=O)c1ccccc1SC(=O)CCCCN1[CH]C=CC=C1.Br
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5m51_nu6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5m53_7gj.sdf
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99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5maf_xin.sdf
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99: ==================== end doRoundtrip =========================
99:  True Shuffling: Br.COc1ccc(cc1)Cn1cccc(O)c1
99: ==============================
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99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5mam_sro.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5mat_7kj.sdf
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: Br.COc1ccc2c(c1)[C@]13CCCC[C@@H]3[C@H](N(C)CC1)[C@@]12CC1
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99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5mj5_7o0.sdf
99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5mj6_7o2.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5mja_7o3.sdf
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99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5mmg_ut0.sdf
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99: ==================== end doRoundtrip =========================
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99:  True Shuffling: C12([C@@H]3CCC[C@@H]1CCC[C@@H]2CCC3)OC(=O)C
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99:  True Shuffling: c1csc(c1)c1nnc(o1)C12C[C@@H]3C[C@@H](C[C@@H](C3)C2)C1
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99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5owr_1n1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ox5_b2e.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5oxg_b4b.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p8x_75z.sdf
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p8z_766.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p91_76b.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p94_76t.sdf
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p96_77h.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p97_77k.sdf
99:  True Shuffling: CC(=O)OC12[C@@H]3CCC[C@@H]1CCC[C@@H]2CCC3
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p98_77l.sdf
99: ref = CC(=O)OC12[C@@H]3CCC[C@@H]2CCC[C@H]1CCC3
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p99_77m.sdf
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9b_77p.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9d_77r.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9e_77s.sdf
99: ==================== end doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9i_1e8.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9l_7g9.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9n_7je.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9o_7jf.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9p_7jg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9q_7jh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9r_7jj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9s_7jk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9t_7jd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9u_7jl.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9u_sah.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9v_7jm.sdf
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9w_d1d.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9x_7jo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9y_7jp.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9y_nhe.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5p9z_7jq.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5pa0_7jr.sdf
99:  True Shuffling: CC(=O)OC12[C@@H]3CCC[C@@H]1CCC[C@@H]2CCC3
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5pa1_7js.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5pa2_7ju.sdf
99: ref = CC(=O)OC12[C@@H]3CCC[C@@H]2CCC[C@H]1CCC3
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5pa3_7jv.sdf
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5pa7_7jx.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5pab_7xd.sdf
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5pgu_8k4.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5pgv_8k7.sdf
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5pgx_8kd.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5pgz_8kg.sdf
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5pzm_8xs.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5pzn_8xp.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5pzo_8xm.sdf
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q0d_9ey.sdf
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q0g_9f7.sdf
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q0i_0x0.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q0l_9ky.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99:  True Shuffling: C/C(=N/c1ccncc1)/C(=N/c1ccncc1)/C
99: ref = C/C(=N/c1ccncc1)/C(=N/c1ccncc1)/C
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q0n_9l4.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q0o_9l7.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q0r_9lg.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: CC(=CCN[C@]12C[C@@H]3C[C@@H](C[C@@H](C3)C2)C1)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q0s_9lj.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q0u_9lp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q0v_9ls.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q0w_9lv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q0y_9ly.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q0z_9m1.sdf
99: ref = CC(=CCN[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)C
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q10_9m4.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q11_9m7.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q12_9ma.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q13_9md.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q14_9mm.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q16_9ms.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q17_9mv.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q18_9my.sdf
99: ==================== end doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q1b_9n7.sdf
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q1d_9nd.sdf
99: ==================== end doRoundtrip =========================
99:  True Shuffling: Brc1ccc(nc1)NC(=S)N[C@]12C[C@@H]3C[C@H](C[C@@H](C3)C2)C1
99: ref = S=C(N[C@]12C[C@@H]3C[C@@H](C2)C[C@@H](C1)C3)Nc1ccc(cn1)Br
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q1e_9ng.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5q1i_9o1.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qbu_b8j.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qbw_b8s.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qbx_b8v.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qby_n2a.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qbz_b8y.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qc0_bqj.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qc1_b9s.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qc2_bqp.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qc3_b9y.sdf
99:  True Shuffling: c1ccc2c(c1)[C@H]1[C@@H]3O[C@@H]3[C@@H]2c2ccccc12
99: ref = O1[C@@H]2[C@H]1[C@@H]1c3c([C@H]2c2c1cccc2)cccc3
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qc4_bc7.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qc5_baj.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qc6_bcj.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qc7_bqs.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qc8_bfv.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qc9_bg7.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qca_bgj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qcb_bhv.sdf
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qcc_bgy.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qcd_bhj.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qcf_bjd.sdf
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qcg_bjj.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: C(C/N=C\c1ccccc1)/N=C/c1ccccc1
99: ref = N(=C\c1ccccc1)\CC/N=C/c1ccccc1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qch_bjs.sdf
99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qci_bjv.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qcj_bjy.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qck_buv.sdf
99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qcl_buy.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qcm_bvj.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5qcn_bvm.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5std_unn.sdf
99: ==================== end doRoundtrip =========================
99:  True Shuffling: O=C(CCCC(=O)N/N=C(/C)\c1ccccc1)N/N=C(\C)/c1ccccc1
99: ref = O=C(N/N=C(\c1ccccc1)/C)CCCC(=O)N/N=C(/c1ccccc1)\C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5sun_70q.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5suw_70g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5sux_70h.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5svf_70p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5svr_71c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5sw3_46l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5swp_70v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5swt_71a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5sx8_71m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5sxb_soa.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5sxd_71f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5sxi_71j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5sxn_74u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5sy2_74v.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5sy3_74z.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5sym_71q.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5syz_71w.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5sz9_74y.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5szt_72j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t0l_73x.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t0t_72q.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t19_73u.sdf
99: ==================== end doRoundtrip =========================
99:  True Shuffling: C/C(=N/c1ccccc1)/C(=N/c1ccccc1)/C
99: ref = C/C(=N/c1ccccc1)/C(=N/c1ccccc1)/C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t1a_73r.sdf
99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t1a_vt5.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t1h_75e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t1s_76q.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t1t_76p.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t1z_q97.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t28_74q.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t2b_74o.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t2d_74l.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t2g_74k.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t2i_74j.sdf
99:  True Shuffling: OC[C@H](O)COP1(=O)O[Pt@]2(N[C@H]3CCCC[C@@H]3N2)O1
99: ref = OC[C@@H](COP1(=O)O[Pt@]2(O1)N[C@@H]1[C@@H](N2)CCCC1)O
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t2l_74h.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t2m_74n.sdf
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t2y_753.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t35_759.sdf
99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t4e_75l.sdf
99:  True Shuffling: n1ccc(cc1)C12C[C@H]3C[C@H](C[C@H](C3)C2)C1
99: ref = C1[C@@H]2C[C@@H]3C[C@H]1CC(C2)(C3)c1ccncc1
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t4s_pg6.sdf
99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t5t_75o.sdf
99: ==================== end doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t68_77v.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t8g_4z0.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t8i_77c.sdf
99:  True Shuffling: C12=C3C4=C5[C@H]1[Fe]16782345C2=C6C7=C1C82
99: ref = C12C3=C4[Fe]5678923(C1=C45)C1C6=C8C9=C71
99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
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99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t8j_77t.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t8o_76z.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t8p_774.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t8q_76y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t92_77w.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t97_782.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5t9c_g3p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ta4_838.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ta6_79d.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ta8_79c.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tb6_77x.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tb8_1rz.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tb9_1ry.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tbb_ppv.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tbh_78k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tbh_m2m.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tbi_78v.sdf
99: ==================== end doRoundtrip =========================
99:  True Shuffling: CC(=O)O.Oc1nc2nc3c(nc2c(N)n1)c1cccc2cccc3c12
99: ref = Oc1nc2nc3-c4cccc5c4c(-c3nc2c(n1)N)ccc5.CC(=O)O
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tbj_lhd.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tbm_79a.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tbo_78z.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tbp_7a4.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tc0_79y.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tc5_big.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tc6_7a6.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tca_j55.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tcc_j56.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tcj_79v.sdf
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5td2_7ae.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5td4_cey.sdf
99: ==================== end doRoundtrip =========================
99: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5te2_7b9.sdf
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5te8_08j.sdf
99:  True Shuffling: stereo/incorrect_canon1.mol
99: ref = CC1CCC2(CC1)CCCCC2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tei_m39.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
99:  True Shuffling: stereo/incorrect_canon2.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tel_7aj.sdf
99: ref = C1CCC2C(C1)CC1(C2)CCC1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ten_7fn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tep_7ax.sdf
99: ==================== start doRoundtrip =========================
99: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ter_7ay.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tex_7au.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tf5_7ar.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tf9_7av.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tft_p6u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tfu_p6m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tgz_zdg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tht_b3n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ti3_7cg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ti7_7cq.sdf
 98/223 Test  #99: test_shuffle_2 ...................   Passed    0.41 sec
test 100
        Start 100: test_shuffle_3

100: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "shuffletest" "3"
100: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
100: Environment variables: 
100:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
100:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
100: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tiu_7cu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tjk_bga.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tjn_bgb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tjx_gbt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tjy_pdc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tkb_7dj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tkd_7gl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tks_7dl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tkt_7ds.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tku_7dk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tld_6wv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tle_rd1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tlf_7ef.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tlh_mdn.sdf
100:  True Shuffling: O[C@H]1CC[C@@H](O)CC1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tlh_rd2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tlm_7em.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tln_ban.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tlo_7ee.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tlw_rd3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tlz_n26.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tmd_7e0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tmg_7ek.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tmk_7ej.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tmo_7m1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tmq_7m7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tmr_7fd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tms_7fg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tmw_7fp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tmz_7fq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tn1_7fr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tn3_7fs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5to8_7fm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tob_yam.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5toe_7gk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tpg_7h5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tq3_7gz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tq4_7gy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tq5_7gx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tq6_7gv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tq7_7gt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tq8_7gs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tqe_7kq.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tqf_7kr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tqg_7ks.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tqh_7j2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tr6_7kg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5trf_7hc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5trh_7hl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tri_7hm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5trj_7ho.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tvj_7lf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tvn_7ld.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5tvy_xpe.sdf
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5u3x_7u4.sdf
100:  True Shuffling: O[C@H]1C[C@@H](O)C[C@@H](O)C1
100: ref = O[C@@H]1C[C@H](O)C[C@@H](C1)O
100: ==================== start doRoundtrip =========================
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59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5u43_7ss.sdf
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100: ==================== end doRoundtrip =========================
100:  True Shuffling: [C@@H]1([C@H]([C@H]([C@H]1C)C)C)C
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100: ==================== start doRoundtrip =========================
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100:  True Shuffling: stereo/cyclobutane_D1.smi
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100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/razinger_fig7_5_spec.mol
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100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/cyclohexanediol_D1.mol
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100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/cyclohexanetriol_D1.mol
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100:  True Shuffling: stereo/cyclobutane_D1.mol
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100: ==================== end doRoundtrip =========================
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100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ufo_87j.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ufp_86d.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ufr_88j.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ufu_85v.sdf
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ug2_86j.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uga_8bm.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: [C@@H]1([C@@H]([C@H]([C@@H]1C)C)C)C
100: ref = C[C@@H]1[C@@H](C)[C@@H]([C@H]1C)C
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ugp_8cp.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ugs_xt5.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ugt_xtw.sdf
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ugu_xtv.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uhi_8a4.sdf
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uhl_8bj.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uig_8d1.sdf
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uih_8cv.sdf
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uio_8dm.sdf
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uio_lg3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uiq_8bv.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: [C@@H]1([C@@H]([C@@H]([C@H]1C)C)C)C
100: ref = C[C@@H]1[C@H](C)[C@H]([C@H]1C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uir_8by.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uis_8c1.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uit_8cd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uiu_8cg.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uj2_8b4.sdf
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uj3_ce4.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ujb_6ak.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/inositol_cis.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uk8_8dv.sdf
100: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ukf_8e1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ukj_3k6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ukk_8dj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ukl_six.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ukm_t0e.sdf
100:  True Shuffling: stereo/inositol_epi.mol
100: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@H]1C)C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ul0_vt1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ul1_8dy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ul5_8d7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ula_5mj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ulg_8e4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uli_0wd.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5um6_8ea.sdf
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5unf_8es.sdf
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/inositol_allo.mol
100: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@H]([C@H]1C)C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5unh_8em.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5unt_8j1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5unv_8j7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5unw_8f7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5unx_8f1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uo8_8ev.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uo9_8j4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uoa_8ey.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/inositol_myo.mol
100: ref = C[C@@H]1[C@H](C)[C@H](C)[C@H]([C@@H]([C@H]1C)C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uob_m4r.sdf
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uoo_8fv.sdf
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uop_8g4.sdf
100:  True Shuffling: stereo/inositol_muco.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uoq_8g1.sdf
100: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@@H]([C@@H]([C@H]1C)C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uor_8gv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uox_8gy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uoy_8hm.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5up0_8hp.sdf
100:  True Shuffling: stereo/inositol_neo.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5up3_8gs.sdf
100: ref = C[C@@H]1[C@H](C)[C@H](C)[C@H]([C@H]([C@H]1C)C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5upe_8hy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5upf_8hv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5upg_8gj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5upj_uin.sdf
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5upu_6q9.sdf
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/inositol_scyllo.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5upv_8kv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uq0_wp1.sdf
100: ref = C[C@@H]1[C@@H](C)[C@H](C)[C@H]([C@@H]([C@H]1C)C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uqv_8jm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uqx_8jp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ur1_yy9.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ur3_8oy.sdf
100:  True Shuffling: stereo/inositol_chiroD.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ur5_8kp.sdf
100: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@H]([C@@H]([C@H]1C)C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ur6_8km.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ura_8ks.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5urj_8ls.sdf
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5urk_8lp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5urv_ner.sdf
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/inositol_chiroL.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5usq_8ly.sdf
100: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@@H]([C@H]([C@H]1C)C)C
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ut2_3yt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ut3_ik1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ut4_dqx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ut5_2hb.sdf
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ut6_8my.sdf
100: ==================== end doRoundtrip =========================
100:  True Shuffling: O[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ute_8m4.sdf
100: ref = O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@H]([C@H]1O)O)O
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5utn_8ma.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uu1_7dz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uv3_8n4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uvc_8pv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uvp_8n7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uvs_8o1.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uvt_8nv.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uvu_8o4.sdf
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uvv_8ns.sdf
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uvw_8ng.sdf
100: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uvx_8nm.sdf
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uvy_8nj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uvz_8np.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uwf_8q7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uwk_8om.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uwl_8oj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uwm_8oa.sdf
 99/223 Test #100: test_shuffle_3 ...................   Passed    0.16 sec
test 101
        Start 101: test_shuffle_4

101: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "shuffletest" "4"
101: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
101: Environment variables: 
101:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
101:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
101: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uwn_8o7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5uy6_8r4.sdf
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101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: stereo/razinger_fig7_37.mol
101: ref = CCC(C(/C=C/C(C(CC)CC)C)C)CC
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wb6_9zm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wbe_63x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wbm_a4g.sdf
101: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wbn_9zv.sdf
101: ==================== end doRoundtrip =========================
101:  True Shuffling: stereo/razinger_fig7_38.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wbo_a1y.sdf
101: ref = CC(/C(=C(\C(F)C)/C(F)C)/C(F)C)F
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wbp_a2j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wbq_a3j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wbr_a3y.sdf
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wbv_9zy.sdf
101:  True Shuffling: stereo/razinger_fig7_39.mol
101: ref = CC(C(=C=C(C(F)C)C(F)C)C(F)C)F
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wbx_ajy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wbz_a4j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wc5_ajv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wcg_a4m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wdy_a6s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5we8_a7y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wey_2m4.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5whc_ajj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wiv_aqd.sdf
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wk7_cah.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wke_p50.sdf
100/223 Test #101: test_shuffle_4 ...................   Passed    0.08 sec
test 102
        Start 102: test_shuffle_5

102: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "shuffletest" "5"
102: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
102: Environment variables: 
102:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
102:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
102: Test timeout computed to be: 1500
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wkg_cuy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wkg_d21.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wki_d3d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wlw_8q1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wn8_bbj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wnx_sgt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wny_b7p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wnz_b7j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wo0_b7a.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wo4_b7v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wpb_b8p.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wqa_j20.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wqg_7mi.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wqh_7wu.sdf
102:  True Shuffling: stereo/canon1.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wqh_7wx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wqi_7x0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wr7_rch.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wre_7tl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wrq_7tx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wry_4yr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wrz_7u3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ws0_7u6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5ws1_7u9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wtc_7ul.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wuk_73k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wy9_1pg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wya_7vo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wyf_ilp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wyx_cu8.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5wyz_7vf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x0r_4wh.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x1v_7xx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x1w_7y0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x21_pum.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x24_lsn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x2x_4lm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x2z_3lm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x30_7xf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x4m_7zf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x4n_7zl.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x4p_7zo.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x4q_7z6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x5q_d16.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x67_7z9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x69_7zc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x72_p59.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x72_p69.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x74_jay.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x7d_8vs.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x7e_7zu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x7z_bha.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x8g_s0n.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x8i_sqz.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x8q_82r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x8s_6q5.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x8x_82o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x93_k87.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x9o_80r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5x9p_80l.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xaf_84f.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xdt_zi7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xdu_zi6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xe1_iuu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xgn_85x.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xhc_87u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xhk_ldr.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xi7_po7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xkm_87r.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xlt_89o.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xlz_89u.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xp7_8c6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xpr_k86.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xqx_8cc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xr8_8d0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xra_8d3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xs2_8d6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xt6_pda.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xy1_8h0.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xzb_a9y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xze_ae7.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xzg_aev.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5xzr_8j6.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5y2t_8lx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5y3n_8mf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5y3o_8m9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5y5n_8no.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5y9l_8r3.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5yar_rib.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5yas_fac.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5yjk_8vx.sdf
102: ref = C[C@H](C[C@H](O)C)C[C@@H](O)C	canon1
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/5yl4_8wr.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon2.mol
102: ref = C[C@@H](C[C@@H](O)C)C[C@@H](O)C	canon2
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6aol_vc1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6aom_p33.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon3.mol
102: ref = C[C@@H]1CC[C@H](CC1)C	canon3
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6aom_vc5.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon4.mol
102: ref = C[C@@H]1CC[C@@H](CC1)C	canon4
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6au3_bwm.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon5.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6aud_bwy.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6axn_btm.sdf
102: ref = C[C@@H]1CC[C@]2(CC1)CC[C@@H](CC2)C	canon5
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6ayw_c2v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6b0z_c81.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon6.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6b16_c7y.sdf
102: ref = C[C@@H]1C[C@H](O)C[C@@H](C1)O	canon6
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6b4l_cjy.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon7.mol
102: ref = C[C@@H]1C[C@@H](O)C[C@@H](C1)O	canon7
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6b4u_cn7.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon8.mol
102: ref = C[C@]12CCCC[C@]2(C)CCCC1	canon8
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6b4w_cq7.sdf
102: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6b8b_czj.sdf
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon9.mol
102: ref = C[C@@H]([C@@H]1CC[C@H](CC1)C)[C@@H]1CC[C@@H](CC1)C	canon9
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6b8j_65c.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6b8u_8en.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6b96_czv.sdf
102: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6b97_czy.sdf
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon10.mol
102: ref = C[C@@H]1[C@@H]([C@@H]1C)C	canon10
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6b98_d07.sdf
102: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6bab_d0s.sdf
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon11.mol
102: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C	canon11
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6bcz_d7y.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6bd5_d7m.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon12.mol
102: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C	canon12
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6bd6_80k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6bd7_d7j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6bd8_d81.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon13.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6bdh_dev.sdf
102: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C	canon13
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6bdi_dej.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6bdk_dj1.sdf
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon14.mol
102: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1O)O	canon14
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon15.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6bdm_y83.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6bk3_b2s.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6bku_dxv.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6bn5_dzj.sdf
102: ref = C[C@@H]1[C@H](O)[C@@H]([C@@H]1O)C	canon15
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6bnj_wpg.sdf
102: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6bns_xgh.sdf
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon16.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6bp0_e1d.sdf
102: ref = C[C@@H]1C[C@H](C1)C[C@](C[C@@H]1C[C@@H](C1)C)(C[C@@H]1CC[C@H](CC1)C)C[C@@H]1CC[C@@H](CC1)C	canon16
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6bql_bi9.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6brc_e5j.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6bru_e5m.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6btw_e8d.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6bu6_e8v.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6cha_pba.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6cpa_zaf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6egu_43y.sdf
102: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6eim_b6e.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6eks_g39.sdf
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon17.mol
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6en5_bj2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6enc_bgw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6end_bgk.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6enx_bjw.sdf
102: ref = C[C@@H]1CC[C@H](CC1)C1CC[C@H](CC1)C[C@H](C[C@@H]1CC[C@@H](CC1)[C@@H]1CC[C@H](CC1)C)C[C@@H]1CC[C@@H](CC1)[C@@H]1CC[C@@H](CC1)C	canon17
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6eo0_bvt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6eo9_2oj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6eqp_buw.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6eqq_h19.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6equ_bve.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6esy_tfx.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6euv_21g.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6eux_byb.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6eva_4mj.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6evd_byn.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6evf_4lu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6ezq_c7k.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6std_ms2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/6upj_niu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/7cpa_fvf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/7enl_2pg.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/7gch_lpf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/7std_crp.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/7upj_inu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/830c_rs1.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8a3h_idc.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8acn_nic.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8cho_p4c.sdf
102: ==================== start doRoundtrip =========================
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8cpa_agf.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8cpp_tcm.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8ico_azt.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/8mht_du.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/966c_rs2.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/9rsa_adu.sdf
59: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/../pdb_ligands_sdf/9xim_xls.sdf
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon18.mol
102: ref = CC[C@@](C[C@@H]1C[C@H](C1)C)(C[C@@H]1C[C@@H](C1)C)C	canon18
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon19.mol
102: ref = CC[C@](C[C@@H]1CC[C@H](CC1)C)(C[C@@H]1CC[C@@H](CC1)C)C	canon19
101/223 Test  #59: test_addh_1 ......................   Passed    6.96 sec
test 103
        Start 103: test_smiles_1

103: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "smilestest" "1"
103: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
103: Environment variables: 
103:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
103:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
103: Test timeout computed to be: 1500
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon19.mol
102: ref = CC[C@](C[C@@H]1CC[C@H](CC1)C)(C[C@@H]1CC[C@@H](CC1)C)C	canon19
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon20.mol
102: ref = C[C@H](C[C@](C[C@H](Cl)C)(C[C@@H](Cl)C)C[C@@H](O)C)O	canon20
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon21.mol
102: ref = O[C@H](C[C@](C[C@H](C[C@H](O)C)O)(C[C@@H](C[C@H](O)C)O)C[C@@H](C[C@@H](O)C)O)C[C@@H](O)C	canon21
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon22.mol
102: ref = C[C@@H]1[C@@H]([C@@H]1C)C	canon22
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon23.mol
102: ref = C[C@@H]1[C@H]([C@@H]1C)C	canon23
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon24.mol
102: ref = C[C@]12CCCC[C@@]2(C)CC2(C1)CCC2
102: ==================== start doRoundtrip =========================
103: testTetrahedralStereo1()
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans1.mol
102: ref = C/C=C\C[C@H](C/C=C/C)C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans2.mol
102: ref = C/C=C/C[C@H](C/C=C/C)C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans3.mol
102: ref = C/C=C/1\CC/C(=C\C)/CC1
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans4.mol
102: ref = C/C=C/1\CC/C(=C/C)/CC1
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans5.mol
102: ref = C/C=C/1\CC[C@]2(CC1)CC/C(=C\C)/CC2
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans6.mol
102: ref = C/C=C/1\C/C(=C/O)/C/C(=C\O)/C1
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans7.mol
102: ref = C/C=C/1\C/C(=C\O)/C/C(=C\O)/C1
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans8.mol
102: ref = C/C=C/1\CC[C@H](CC1)[C@H]([C@@H]1CC/C(=C\C)/CC1)C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans9.mol
102: ref = C/C=C/1\C(=C\C)\C1=C/C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans15.mol
102: ref = C/C=C\C=C\C[C@@](C/C=C\C=C\C)(C/C=C\C=C/C)C/C=C/C=C/C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/canon_cistrans16.mol
102: ref = C/C=C(/[C@@H]1CC[C@H](CC1)C)\[C@@H]1CC[C@@H](CC1)C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102/223 Test #102: test_shuffle_5 ...................   Passed    0.14 sec
test 104
        Start 104: test_smiles_2

104: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "smilestest" "2"
104: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
104: Environment variables: 
104:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
104:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
104: Test timeout computed to be: 1500
104: Testing generic smiles <-> canonical smiles
103: smiles: C[C@H](O)N
103: OBTetrahedralStereo(center = 1, viewFrom = 0, refs = H 3 2 , clockwise)
103: 
103: Testing generic smiles <-> canonical smiles
103: smiles: C[C@H](O)N
103: mol.NumAtoms = 4
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
103: canSmiles: C[C@H](O)N	
103: mol.NumAtoms = 4
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
103: .
103: 
103: Testing generic smiles <-> canonical smiles
103: smiles: Cl[C@@](CCl)(I)Br
103: mol.NumAtoms = 6
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 6, refs = 2 4 5 , clockwise)
103: canSmiles: ClC[C@](I)(Br)Cl	
103: mol.NumAtoms = 6
103: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 4 6 5 , clockwise)
103: .
103: 
103: Testing generic smiles <-> canonical smiles
103: smiles: Cl/C=C/F
103: mol.NumAtoms = 4
103: Config with symmetry ids: OBCisTransStereo::Config(begin = 3, end = 2, refs = 4 H 1 H , shape = U)
103: canSmiles: F/C=C/Cl	
103: mol.NumAtoms = 4
103: Config with symmetry ids: OBCisTransStereo::Config(begin = 2, end = 3, refs = 1 H 4 H , shape = U)
103: .
103: 
103/223 Test #103: test_smiles_1 ....................   Passed    0.05 sec
test 105
        Start 105: test_smiles_3

105: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "smilestest" "3"
105: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
105: Environment variables: 
105:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
105:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
105: Test timeout computed to be: 1500
105: Testing generic smiles <-> canonical smiles
104: smiles: F[Po@SP1](Cl)(Br)I
104: mol.NumAtoms = 5
104: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U)
104: canSmiles: F[Po@SP1](I)(Br)Cl	
104: mol.NumAtoms = 5
104: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U)
104: .
104: 
104: Testing generic smiles <-> canonical smiles
104: smiles: F[Po@SP2](Br)(Cl)I
104: mol.NumAtoms = 5
104: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U)
104: canSmiles: F[Po@SP1](I)(Br)Cl	
104: mol.NumAtoms = 5
104: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U)
104: .
104: 
104: Testing generic smiles <-> canonical smiles
104: smiles: F[Po@SP3](Cl)(I)Br
104: mol.NumAtoms = 5
104: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U)
104: canSmiles: F[Po@SP1](I)(Br)Cl	
104: mol.NumAtoms = 5
104: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U)
104: .
104: 
104/223 Test #104: test_smiles_2 ....................   Passed    0.04 sec
test 106
        Start 106: test_spectrophore_1

106: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "1"
106: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
106: Environment variables: 
106:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
106:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
106: Test timeout computed to be: 1500
105: smiles: CCC[C@@H](O)CC\C=C\C=C\C#CC#C\C=C\CO
105: mol.NumAtoms = 19
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 6 5 , clockwise)
105: Config with symmetry ids: OBCisTransStereo::Config(begin = 8, end = 9, refs = 7 H 10 H , shape = U)
105: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 9 H 12 H , shape = U)
105: Config with symmetry ids: OBCisTransStereo::Config(begin = 16, end = 17, refs = 15 H 18 H , shape = U)
105: canSmiles: CCC[C@H](CC/C=C/C=C/C#CC#C/C=C/CO)O	
105: mol.NumAtoms = 19
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 6 5 , clockwise)
105: Config with symmetry ids: OBCisTransStereo::Config(begin = 8, end = 9, refs = 7 H 10 H , shape = U)
105: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 9 H 12 H , shape = U)
105: Config with symmetry ids: OBCisTransStereo::Config(begin = 16, end = 17, refs = 15 H 18 H , shape = U)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
105: mol.NumAtoms = 12
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
105: canSmiles: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O	
105: mol.NumAtoms = 12
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H]2[C@@H]1c3c(O)c(OC)c(O)cc3C(=O)O2
105: mol.NumAtoms = 23
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: canSmiles: OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC	
105: mol.NumAtoms = 23
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: CC(=O)OCCC(/C)=C\C[C@H](C(C)=C)CCC=C
105: mol.NumAtoms = 18
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 7, refs = H 4 6 , clockwise)
105: Config with symmetry ids: OBCisTransStereo::Config(begin = 11, end = 10, refs = 13 12 7 H , shape = U)
105: canSmiles: C=CCC[C@@H](C(=C)C)C/C=C(\CCOC(=O)C)/C	
105: mol.NumAtoms = 18
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 4, refs = H 6 7 , clockwise)
105: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 7 H 13 12 , shape = U)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: CC[C@H](O1)CC[C@@]12CCCO2
105: mol.NumAtoms = 11
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 5 9 8 , clockwise)
105: canSmiles: CC[C@H]1CC[C@]2(O1)CCCO2	
105: mol.NumAtoms = 11
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 9 8 5 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 9 8 5 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 5 9 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: CN1CCC[C@H]1c2cccnc2
105: mol.NumAtoms = 12
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 6, refs = H 7 2 , clockwise)
105: canSmiles: CN1CCC[C@H]1c1cccnc1	
105: mol.NumAtoms = 12
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 6, refs = H 7 2 , clockwise)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2
105: mol.NumAtoms = 11
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise)
105: canSmiles: O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C	
105: mol.NumAtoms = 11
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(CCl)O
105: mol.NumAtoms = 21
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
105: canSmiles: ClC[C@]1(O)CC[C@@H]([C@@H]2[C@@H]1C(=O)OCC(=C2)C(=O)O)C(C)C	
105: mol.NumAtoms = 21
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: C(CS[14CH2][14C@@H]1[14C@H]([14C@H]([14CH](O1)O)O)O)[C@@H](C(=O)O)N
105: mol.NumAtoms = 17
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
105: canSmiles: N[C@H](C(=O)O)CCS[14CH2][14C@H]1O[14CH]([14C@@H]([14C@@H]1O)O)O	
105: mol.NumAtoms = 17
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)C(C)Cl
105: mol.NumAtoms = 31
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
105: canSmiles: CCC[C@H]1CN([C@@H](C1)C(=O)NC([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)OP(=O)(O)O)C(Cl)C)C	
105: mol.NumAtoms = 31
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
105: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
105: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
105: .
105: 
105/223 Test #105: test_smiles_3 ....................   Passed    0.06 sec
test 107
        Start 107: test_spectrophore_2

107: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "2"
107: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
107: Environment variables: 
107:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
107:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
107: Test timeout computed to be: 1500
106/223 Test #107: test_spectrophore_2 ..............   Passed    0.03 sec
test 108
        Start 108: test_spectrophore_3

108: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "3"
108: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
108: Environment variables: 
108:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
108:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
108: Test timeout computed to be: 1500
107/223 Test #108: test_spectrophore_3 ..............   Passed    0.02 sec
test 109
        Start 109: test_spectrophore_4

109: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "4"
109: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
109: Environment variables: 
109:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
109:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
109: Test timeout computed to be: 1500
108/223 Test #109: test_spectrophore_4 ..............   Passed    0.02 sec
test 110
        Start 110: test_spectrophore_5

110: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "spectrophoretest" "5"
110: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
110: Environment variables: 
110:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
110:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
110: Test timeout computed to be: 1500
109/223 Test #110: test_spectrophore_5 ..............   Passed    0.02 sec
test 111
        Start 111: test_squareplanar_1

111: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "squareplanartest" "1"
111: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
111: Environment variables: 
111:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
111:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
111: Test timeout computed to be: 1500
111: end
110/223 Test #111: test_squareplanar_1 ..............   Passed    0.01 sec
test 112
        Start 112: test_squareplanar_2

112: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "squareplanartest" "2"
112: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
112: Environment variables: 
112:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
112:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
112: Test timeout computed to be: 1500
112: end
111/223 Test #112: test_squareplanar_2 ..............   Passed    0.01 sec
test 113
        Start 113: test_squareplanar_3

113: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "squareplanartest" "3"
113: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
113: Environment variables: 
113:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
113:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
113: Test timeout computed to be: 1500
113: This error can be ignored
113: ==============================
113: *** Open Babel Error  in SetConfig
113:   OBSquarePlanarStereo::SetConfig : found 0 reference ids, should be 4.
113: end
112/223 Test #113: test_squareplanar_3 ..............   Passed    0.01 sec
test 114
        Start 114: test_squareplanar_4

114: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "squareplanartest" "4"
114: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
114: Environment variables: 
114:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
114:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
114: Test timeout computed to be: 1500
114: end
113/223 Test #114: test_squareplanar_4 ..............   Passed    0.01 sec
test 115
        Start 115: test_squareplanar_5

115: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "squareplanartest" "5"
115: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
115: Environment variables: 
115:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
115:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
115: Test timeout computed to be: 1500
115: end
114/223 Test #115: test_squareplanar_5 ..............   Passed    0.01 sec
test 116
        Start 116: test_stereo_1

116: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereotest" "1"
116: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
116: Environment variables: 
116:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
116:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
116: Test timeout computed to be: 1500
115/223 Test #116: test_stereo_1 ....................   Passed    0.01 sec
test 117
        Start 117: test_stereo_2

117: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereotest" "2"
117: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
117: Environment variables: 
117:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
117:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
117: Test timeout computed to be: 1500
116/223 Test #117: test_stereo_2 ....................   Passed    0.01 sec
test 118
        Start 118: test_stereo_3

118: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereotest" "3"
118: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
118: Environment variables: 
118:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
118:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
118: Test timeout computed to be: 1500
117/223 Test #118: test_stereo_3 ....................   Passed    0.01 sec
test 119
        Start 119: test_stereo_4

119: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereotest" "4"
119: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
119: Environment variables: 
119:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
119:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
119: Test timeout computed to be: 1500
118/223 Test #119: test_stereo_4 ....................   Passed    0.01 sec
test 120
        Start 120: test_stereo_5

120: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereotest" "5"
120: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
120: Environment variables: 
120:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
120:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
120: Test timeout computed to be: 1500
119/223 Test #120: test_stereo_5 ....................   Passed    0.01 sec
test 121
        Start 121: test_stereo_6

121: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereotest" "6"
121: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
121: Environment variables: 
121:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
121:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
121: Test timeout computed to be: 1500
121: structure perception1
121: structure perception2
121: structure perception3
121: structure perception4
121: structure perception5
121: structure perception6
121: structure perception7
121: structure perception8
121: structure perception9
121: structure perception10
121: structure perception11
121: structure perception12
121: structure perception13
121: structure perception14
121: structure perception15
121: structure perception16
121: structure perception17
121: structure perception18
121: structure perception19
121: structure perception20
121: Razinger paper, fig. 1: structure a
121: Razinger paper, fig. 1: structure b
121: Razinger paper, fig. 1: structure c
121: Razinger paper, fig. 1: structure d
121: Razinger paper, fig. 1: structure e
121: Razinger paper, fig. 1: structure f
121: Razinger paper, fig. 1: structure g
121: Razinger paper, fig. 1: structure h
121: Razinger paper, fig. 1: structure i
121: Razinger paper, fig. 1: structure j
121: Razinger paper, fig. 1: structure k
121: Razinger paper, fig. 1: structure l
121: Razinger paper, fig. 1: structure m
120/223 Test #106: test_spectrophore_1 ..............   Passed    0.25 sec
test 122
        Start 122: test_stereoperception_1

122: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "1"
122: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
122: Environment variables: 
122:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
122:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
122: Test timeout computed to be: 1500
122: N[C@H](F)O	
122: 
121/223 Test #122: test_stereoperception_1 ..........   Passed    0.04 sec
test 123
        Start 123: test_stereoperception_2

123: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "2"
123: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
123: Environment variables: 
123:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
123:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
123: Test timeout computed to be: 1500
121: Razinger paper, fig. 1: structure n
121: Razinger paper, fig. 1: structure o
121: Razinger paper, fig. 1: structure p
122/223 Test #121: test_stereo_6 ....................   Passed    0.12 sec
test 124
        Start 124: test_stereoperception_3

124: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "3"
124: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
124: Environment variables: 
124:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
124:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
124: Test timeout computed to be: 1500
123: F/C=C/F	
123: 
123/223 Test #123: test_stereoperception_2 ..........   Passed    0.04 sec
test 125
        Start 125: test_stereoperception_4

125: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "stereoperceptiontest" "4"
125: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
125: Environment variables: 
125:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
125:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
125: Test timeout computed to be: 1500
124: F[C@@](I)(Br)Cl	
124: 
124: F[C@H](Br)Cl	
124: 
124: FC(Br)Cl	
124: 
124: FC(Br)Cl	
124: 
124/223 Test #124: test_stereoperception_3 ..........   Passed    0.04 sec
test 126
        Start 126: test_tautomer_1

126: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "1"
126: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
126: Environment variables: 
126:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
126:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
126: Test timeout computed to be: 1500
125/223 Test #125: test_stereoperception_4 ..........   Passed    0.04 sec
test 127
        Start 127: test_tautomer_2

127: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "2"
127: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
127: Environment variables: 
127:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
127:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
127: Test timeout computed to be: 1500
126/223 Test #126: test_tautomer_1 ..................   Passed    0.04 sec
test 128
        Start 128: test_tautomer_3

128: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "3"
128: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
128: Environment variables: 
128:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
128:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
128: Test timeout computed to be: 1500
127/223 Test #127: test_tautomer_2 ..................   Passed    0.05 sec
test 129
        Start 129: test_tautomer_4

129: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "4"
129: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
129: Environment variables: 
129:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
129:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
129: Test timeout computed to be: 1500
128/223 Test #129: test_tautomer_4 ..................   Passed    0.04 sec
test 130
        Start 130: test_tautomer_5

130: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "5"
130: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
130: Environment variables: 
130:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
130:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
130: Test timeout computed to be: 1500
129/223 Test #128: test_tautomer_3 ..................   Passed    0.07 sec
test 131
        Start 131: test_tautomer_6

131: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "6"
131: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
131: Environment variables: 
131:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
131:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
131: Test timeout computed to be: 1500
130/223 Test #130: test_tautomer_5 ..................   Passed    0.04 sec
test 132
        Start 132: test_tautomer_7

132: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "7"
132: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
132: Environment variables: 
132:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
132:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
132: Test timeout computed to be: 1500
131/223 Test #131: test_tautomer_6 ..................   Passed    0.04 sec
test 133
        Start 133: test_tautomer_8

133: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "8"
133: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
133: Environment variables: 
133:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
133:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
133: Test timeout computed to be: 1500
132/223 Test #132: test_tautomer_7 ..................   Passed    0.04 sec
test 134
        Start 134: test_tautomer_9

134: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "9"
134: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
134: Environment variables: 
134:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
134:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
134: Test timeout computed to be: 1500
133/223 Test #133: test_tautomer_8 ..................   Passed    0.04 sec
test 135
        Start 135: test_tautomer_10

135: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "10"
135: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
135: Environment variables: 
135:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
135:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
135: Test timeout computed to be: 1500
134/223 Test #134: test_tautomer_9 ..................   Passed    0.03 sec
test 136
        Start 136: test_tautomer_11

136: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "11"
136: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
136: Environment variables: 
136:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
136:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
136: Test timeout computed to be: 1500
135/223 Test #135: test_tautomer_10 .................   Passed    0.04 sec
test 137
        Start 137: test_tautomer_12

137: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "12"
137: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
137: Environment variables: 
137:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
137:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
137: Test timeout computed to be: 1500
136/223 Test #136: test_tautomer_11 .................   Passed    0.04 sec
test 138
        Start 138: test_tautomer_13

138: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "13"
138: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
138: Environment variables: 
138:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
138:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
138: Test timeout computed to be: 1500
137/223 Test #137: test_tautomer_12 .................   Passed    0.04 sec
test 139
        Start 139: test_tautomer_14

139: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "14"
139: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
139: Environment variables: 
139:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
139:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
139: Test timeout computed to be: 1500
138/223 Test #138: test_tautomer_13 .................   Passed    0.04 sec
test 140
        Start 140: test_tautomer_15

140: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "15"
140: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
140: Environment variables: 
140:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
140:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
140: Test timeout computed to be: 1500
139/223 Test #139: test_tautomer_14 .................   Passed    0.04 sec
test 141
        Start 141: test_tautomer_16

141: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "16"
141: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
141: Environment variables: 
141:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
141:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
141: Test timeout computed to be: 1500
140/223 Test #140: test_tautomer_15 .................   Passed    0.04 sec
test 142
        Start 142: test_tautomer_17

142: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "17"
142: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
142: Environment variables: 
142:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
142:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
142: Test timeout computed to be: 1500
141/223 Test #141: test_tautomer_16 .................   Passed    0.04 sec
test 143
        Start 143: test_tautomer_18

143: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "18"
143: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
143: Environment variables: 
143:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
143:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
143: Test timeout computed to be: 1500
142/223 Test #142: test_tautomer_17 .................   Passed    0.04 sec
test 144
        Start 144: test_tautomer_19

144: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "19"
144: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
144: Environment variables: 
144:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
144:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
144: Test timeout computed to be: 1500
143/223 Test #143: test_tautomer_18 .................   Passed    0.04 sec
test 145
        Start 145: test_tautomer_20

145: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "20"
145: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
145: Environment variables: 
145:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
145:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
145: Test timeout computed to be: 1500
144/223 Test #144: test_tautomer_19 .................   Passed    0.04 sec
test 146
        Start 146: test_tautomer_21

146: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "21"
146: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
146: Environment variables: 
146:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
146:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
146: Test timeout computed to be: 1500
145/223 Test #145: test_tautomer_20 .................   Passed    0.04 sec
test 147
        Start 147: test_tautomer_22

147: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "22"
147: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
147: Environment variables: 
147:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
147:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
147: Test timeout computed to be: 1500
146/223 Test #146: test_tautomer_21 .................   Passed    0.04 sec
test 148
        Start 148: test_tautomer_23

148: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "23"
148: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
148: Environment variables: 
148:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
148:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
148: Test timeout computed to be: 1500
147/223 Test #147: test_tautomer_22 .................   Passed    0.04 sec
test 149
        Start 149: test_tautomer_24

149: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "24"
149: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
149: Environment variables: 
149:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
149:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
149: Test timeout computed to be: 1500
148/223 Test #148: test_tautomer_23 .................   Passed    0.04 sec
test 150
        Start 150: test_tautomer_25

150: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "25"
150: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
150: Environment variables: 
150:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
150:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
150: Test timeout computed to be: 1500
149/223 Test #149: test_tautomer_24 .................   Passed    0.04 sec
test 151
        Start 151: test_tautomer_26

151: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "26"
151: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
151: Environment variables: 
151:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
151:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
151: Test timeout computed to be: 1500
150/223 Test #150: test_tautomer_25 .................   Passed    0.04 sec
test 152
        Start 152: test_tautomer_27

152: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "27"
152: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
152: Environment variables: 
152:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
152:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
152: Test timeout computed to be: 1500
151/223 Test #151: test_tautomer_26 .................   Passed    0.04 sec
test 153
        Start 153: test_tautomer_28

153: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tautomertest" "28"
153: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
153: Environment variables: 
153:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
153:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
153: Test timeout computed to be: 1500
152/223 Test #152: test_tautomer_27 .................   Passed    0.04 sec
test 154
        Start 154: test_tetrahedral_1

154: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "1"
154: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
154: Environment variables: 
154:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
154:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
154: Test timeout computed to be: 1500
153/223 Test #154: test_tetrahedral_1 ...............   Passed    0.01 sec
test 155
        Start 155: test_tetrahedral_2

155: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "2"
155: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
155: Environment variables: 
155:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
155:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
155: Test timeout computed to be: 1500
154/223 Test #153: test_tautomer_28 .................   Passed    0.04 sec
test 156
        Start 156: test_tetrahedral_3

156: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "3"
156: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
156: Environment variables: 
156:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
156:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
156: Test timeout computed to be: 1500
155: ==============================
155: *** Open Babel Error  in SetConfig
155:   OBTetrahedralStereo::SetConfig : center atom id is invalid.
155: ==============================
155: *** Open Babel Error  in SetConfig
155:   OBTetrahedralStereo::SetConfig : from/towards atom id is invalid.
155: ==============================
155: *** Open Babel Error  in SetConfig
155:   OBTetrahedralStereo::SetConfig : found 0 reference ids, should be 3.
155/223 Test #155: test_tetrahedral_2 ...............   Passed    0.01 sec
test 157
        Start 157: test_tetrahedral_4

157: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "4"
157: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
157: Environment variables: 
157:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
157:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
157: Test timeout computed to be: 1500
156/223 Test #156: test_tetrahedral_3 ...............   Passed    0.01 sec
test 158
        Start 158: test_tetrahedral_5

158: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tetrahedraltest" "5"
158: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
158: Environment variables: 
158:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
158:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
158: Test timeout computed to be: 1500
157/223 Test #157: test_tetrahedral_4 ...............   Passed    0.01 sec
test 159
        Start 159: test_tetranonplanar_1

159: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tetranonplanartest" "1"
159: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
159: Environment variables: 
159:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
159:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
159: Test timeout computed to be: 1500
158: ==============================
158: *** Open Babel Error  in ToConfig
158:   OBTetraNonPlanarStereo::ToConfig : Invalid from in ConfigType struct.
158/223 Test #158: test_tetrahedral_5 ...............   Passed    0.01 sec
test 160
        Start 160: test_tetraplanar_1

160: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "tetraplanartest" "1"
160: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
160: Environment variables: 
160:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
160:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
160: Test timeout computed to be: 1500
159/223 Test #159: test_tetranonplanar_1 ............   Passed    0.01 sec
test 161
        Start 161: test_uniqueid_1

161: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "uniqueidtest" "1"
161: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
161: Environment variables: 
161:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
161:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
161: Test timeout computed to be: 1500
160/223 Test #160: test_tetraplanar_1 ...............   Passed    0.01 sec
test 162
        Start 162: test_uniqueid_2

162: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "uniqueidtest" "2"
162: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
162: Environment variables: 
162:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
162:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
162: Test timeout computed to be: 1500
161/223 Test #161: test_uniqueid_1 ..................   Passed    0.01 sec
test 163
        Start 163: test_aromatest_1

163: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "aromatest" "1"
163: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
163: Environment variables: 
163:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
163:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
163: Test timeout computed to be: 1500
163: 
163: # Testing aromaticity perception...  
162/223 Test #162: test_uniqueid_2 ..................   Passed    0.01 sec
test 164
        Start 164: test_atom_1

164: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "atom" "1"
164: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
164: Environment variables: 
164:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
164:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
164: Test timeout computed to be: 1500
164: # Unit tests for OBAtom 
163/223 Test #164: test_atom_1 ......................   Passed    0.01 sec
test 165
        Start 165: test_atom_2

165: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "atom" "2"
165: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
165: Environment variables: 
165:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
165:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
165: Test timeout computed to be: 1500
165: # Unit tests for OBAtom 
165: 0
165: 4294967295
165: ok 3
164/223 Test #165: test_atom_2 ......................   Passed    0.01 sec
test 166
        Start 166: test_atom_3

166: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "atom" "3"
166: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
166: Environment variables: 
166:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
166:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
166: Test timeout computed to be: 1500
166: # Unit tests for OBAtom 
166: 0
166: 255
166: 200
166: 44
166: ok 4
165/223 Test #166: test_atom_3 ......................   Passed    0.01 sec
test 167
        Start 167: test_atom_4

167: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "atom" "4"
167: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
167: Environment variables: 
167:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
167:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
167: Test timeout computed to be: 1500
167: # Unit tests for OBAtom 
167: ok 5
167: ok 6
166/223 Test #167: test_atom_4 ......................   Passed    0.01 sec
test 168
        Start 168: test_bond_1

168: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "bond" "1"
168: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
168: Environment variables: 
168:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
168:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
168: Test timeout computed to be: 1500
168: # Unit tests for OBBond 
168: ok 3
167/223 Test #168: test_bond_1 ......................   Passed    0.01 sec
test 169
        Start 169: test_cansmi_1

169: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cansmi" "1"
169: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
169: Environment variables: 
169:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
169:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
169: Test timeout computed to be: 1500
163: ok 1
163: ok 2
163: ok 3
163: ok 4
163: ok 5
163: ok 6
163: ok 7
163: ok 8
163: ok 9
163: ok 10
163: ok 11
163: ok 12
163: ok 13
163: ok 14
163: ok 15
163: ok 16
163: ok 17
163: ok 18
163: ok 19
163: ok 20
163: ok 21
163: ok 22
163: ok 23
163: ok 24
163: ok 25
163: ok 26
163: ok 27
163: ok 28
163: ok 29
163: ok 30
163: ok 31
163: ok 32
163: ok 33
163: ok 34
163: ok 35
163: ok 36
163: ok 37
163: ok 38
163: ok 39
163: ok 40
163: ok 41
163: ok 42
163: ok 43
163: ok 44
163: ok 45
163: ok 46
163: ok 47
163: ok 48
163: ok 49
163: ok 50
163: ok 51
163: ok 52
163: ok 53
163: ok 54
163: ok 55
163: ok 56
163: ok 57
163: ok 58
163: ok 59
163: ok 60
163: ok 61
163: ok 62
163: ok 63
163: ok 64
163: ok 65
163: ok 66
163: ok 67
163: ok 68
163: ok 69
163: ok 70
163: ok 71
163: ok 72
163: ok 73
163: ok 74
163: ok 75
163: ok 76
163: ok 77
163: ok 78
163: ok 79
163: ok 80
163: ok 81
163: ok 82
163: ok 83
163: ok 84
163: ok 85
163: ok 86
163: ok 87
163: ok 88
163: ok 89
163: ok 90
163: ok 91
163: ok 92
163: ok 93
163: ok 94
163: ok 95
163: ok 96
163: ok 97
163: ok 98
163: ok 99
163: ok 100
163: ok 101
163: ok 102
163: ok 103
163: ok 104
163: ok 105
163: ok 106
163: ok 107
163: ok 108
163: ok 109
163: ok 110
163: ok 111
163: ok 112
163: ok 113
163: ok 114
163: ok 115
163: ok 116
163: ok 117
163: ok 118
163: ok 119
163: ok 120
163: ok 121
163: ok 122
163: ok 123
163: ok 124
163: ok 125
163: ok 126
163: ok 127
163: ok 128
163: ok 129
163: ok 130
163: ok 131
163: ok 132
163: ok 133
163: ok 134
163: ok 135
163: ok 136
163: ok 137
163: ok 138
163: ok 139
163: ok 140
163: ok 141
163: ok 142
163: ok 143
163: ok 144
163: ok 145
163: ok 146
163: ok 147
163: ok 148
163: ok 149
163: ok 150
163: ok 151
163: ok 152
163: ok 153
163: ok 154
163: ok 155
163: ok 156
163: ok 157
163: ok 158
163: ok 159
163: ok 160
163: ok 161
163: ok 162
163: ok 163
163: ok 164
163: ok 165
163: ok 166
163: ok 167
163: ok 168
163: ok 169
163: ok 170
163: ok 171
163: ok 172
163: ok 173
163: ok 174
163: ok 175
163: ok 176
163: ok 177
163: ok 178
163: ok 179
163: ok 180
163: ok 181
163: ok 182
163: ok 183
163: ok 184
163: ok 185
163: ok 186
163: ok 187
163: ok 188
163: ok 189
163: ok 190
163: ok 191
163: ok 192
163: ok 193
163: ok 194
163: ok 195
163: ok 196
163: ok 197
163: ok 198
163: ok 199
163: ok 200
163: ok 201
163: ok 202
163: ok 203
163: ok 204
163: ok 205
163: ok 206
163: ok 207
163: ok 208
163: ok 209
163: ok 210
163: ok 211
163: ok 212
163: ok 213
163: ok 214
163: ok 215
163: ok 216
163: ok 217
163: ok 218
163: ok 219
163: ok 220
163: ok 221
163: ok 222
163: ok 223
163: ok 224
163: ok 225
163: ok 226
163: ok 227
163: ok 228
163: ok 229
163: ok 230
163: ok 231
163: ok 232
163: ok 233
163: ok 234
163: ok 235
163: ok 236
163: ok 237
163: ok 238
163: ok 239
163: ok 240
163: ok 241
163: ok 242
163: ok 243
163: ok 244
163: ok 245
163: ok 246
163: ok 247
163: ok 248
163: ok 249
163: ok 250
163: ok 251
163: ok 252
163: ok 253
163: ok 254
163: ok 255
163: ok 256
163: ok 257
163: ok 258
163: ok 259
163: ok 260
163: ok 261
163: ok 262
163: ok 263
163: ok 264
163: ok 265
163: ok 266
163: ok 267
163: ok 268
163: ok 269
163: ok 270
163: ok 271
163: ok 272
163: ok 273
163: ok 274
163: ok 275
163: ok 276
163: ok 277
163: ok 278
163: ok 279
163: ok 280
163: ok 281
163: ok 282
163: ok 283
163: ok 284
163: ok 285
163: ok 286
163: ok 287
163: ok 288
163: ok 289
163: ok 290
163: ok 291
163: ok 292
163: ok 293
163: ok 294
163: ok 295
163: ok 296
163: ok 297
163: ok 298
163: ok 299
163: ok 300
163: ok 301
163: ok 302
163: ok 303
163: ok 304
163: ok 305
163: ok 306
163: ok 307
163: ok 308
163: ok 309
163: ok 310
163: ok 311
163: ok 312
163: ok 313
163: ok 314
163: ok 315
163: ok 316
163: ok 317
163: ok 318
163: ok 319
163: ok 320
163: ok 321
163: ok 322
163: ok 323
163: ok 324
163: ok 325
163: ok 326
163: ok 327
163: ok 328
163: ok 329
163: ok 330
163: ok 331
163: ok 332
163: ok 333
163: ok 334
163: ok 335
163: ok 336
163: ok 337
163: ok 338
163: ok 339
163: ok 340
163: ok 341
163: ok 342
163: ok 343
163: ok 344
163: ok 345
163: ok 346
163: ok 347
163: ok 348
163: ok 349
163: ok 350
163: ok 351
163: ok 352
163: ok 353
163: ok 354
163: ok 355
163: ok 356
163: ok 357
163: ok 358
163: ok 359
163: ok 360
163: ok 361
163: ok 362
163: ok 363
163: ok 364
163: ok 365
163: ok 366
163: ok 367
163: ok 368
163: ok 369
163: ok 370
163: ok 371
163: ok 372
163: ok 373
163: ok 374
163: ok 375
163: ok 376
163: ok 377
163: ok 378
163: ok 379
163: ok 380
163: ok 381
163: ok 382
163: ok 383
163: ok 384
163: ok 385
163: ok 386
163: ok 387
163: ok 388
163: ok 389
163: ok 390
163: ok 391
163: ok 392
163: ok 393
163: ok 394
163: ok 395
163: ok 396
163: ok 397
163: ok 398
163: ok 399
163: ok 400
163: ok 401
163: ok 402
163: ok 403
163: ok 404
163: ok 405
163: ok 406
163: ok 407
163: ok 408
163: ok 409
163: ok 410
163: ok 411
163: ok 412
163: ok 413
163: ok 414
163: ok 415
163: ok 416
163: ok 417
163: ok 418
163: ok 419
163: ok 420
163: ok 421
163: ok 422
163: ok 423
163: ok 424
163: ok 425
163: ok 426
163: ok 427
163: ok 428
163: ok 429
163: ok 430
163: ok 431
163: ok 432
163: ok 433
163: ok 434
163: ok 435
163: ok 436
163: ok 437
163: ok 438
163: ok 439
163: ok 440
163: ok 441
163: ok 442
163: ok 443
163: ok 444
163: ok 445
163: ok 446
163: ok 447
163: ok 448
163: ok 449
163: ok 450
163: ok 451
163: ok 452
163: ok 453
163: ok 454
163: ok 455
163: ok 456
163: ok 457
163: ok 458
163: ok 459
163: ok 460
163: ok 461
163: ok 462
163: ok 463
163: ok 464
163: ok 465
163: ok 466
163: ok 467
163: ok 468
163: ok 469
163: ok 470
163: ok 471
163: ok 472
163: ok 473
163: ok 474
163: ok 475
163: ok 476
163: ok 477
163: ok 478
163: ok 479
163: ok 480
163: ok 481
163: ok 482
163: ok 483
163: ok 484
163: ok 485
163: ok 486
163: ok 487
163: ok 488
163: ok 489
163: ok 490
163: ok 491
163: ok 492
163: ok 493
163: ok 494
163: ok 495
163: ok 496
163: ok 497
163: ok 498
163: ok 499
163: ok 500
163: ok 501
163: ok 502
163: ok 503
163: ok 504
163: ok 505
163: ok 506
163: ok 507
163: ok 508
163: ok 509
163: ok 510
163: ok 511
163: ok 512
163: ok 513
163: ok 514
163: ok 515
163: ok 516
163: ok 517
163: ok 518
163: ok 519
163: ok 520
163: ok 521
163: ok 522
163: ok 523
163: ok 524
163: ok 525
163: ok 526
163: ok 527
163: ok 528
163: ok 529
163: ok 530
163: ok 531
163: ok 532
163: ok 533
163: ok 534
163: ok 535
163: ok 536
163: ok 537
163: ok 538
163: ok 539
163: ok 540
163: ok 541
163: ok 542
163: ok 543
163: ok 544
163: ok 545
163: ok 546
163: ok 547
163: ok 548
163: ok 549
163: ok 550
163: ok 551
163: ok 552
163: ok 553
163: ok 554
163: ok 555
163: ok 556
163: ok 557
163: ok 558
163: ok 559
163: ok 560
163: ok 561
163: ok 562
163: ok 563
163: ok 564
163: ok 565
163: ok 566
163: ok 567
163: ok 568
163: ok 569
163: ok 570
163: ok 571
163: ok 572
163: ok 573
163: ok 574
163: ok 575
163: ok 576
163: ok 577
163: ok 578
163: ok 579
163: ok 580
163: ok 581
163: ok 582
163: ok 583
163: ok 584
163: ok 585
163: ok 586
163: ok 587
163: ok 588
163: ok 589
163: ok 590
163: ok 591
163: ok 592
163: ok 593
163: ok 594
163: ok 595
163: ok 596
163: ok 597
163: ok 598
163: ok 599
163: ok 600
163: ok 601
163: ok 602
163: ok 603
163: ok 604
163: ok 605
163: ok 606
163: ok 607
163: ok 608
163: ok 609
163: ok 610
163: ok 611
163: ok 612
163: ok 613
163: ok 614
163: ok 615
163: ok 616
163: ok 617
163: ok 618
163: ok 619
163: ok 620
163: ok 621
163: ok 622
163: ok 623
163: ok 624
163: ok 625
163: ok 626
163: ok 627
163: ok 628
163: ok 629
163: ok 630
163: ok 631
163: ok 632
163: ok 633
163: ok 634
163: ok 635
163: ok 636
163: ok 637
163: ok 638
163: ok 639
163: ok 640
163: ok 641
163: ok 642
163: ok 643
163: ok 644
163: ok 645
163: ok 646
163: ok 647
163: ok 648
163: ok 649
163: ok 650
163: ok 651
163: ok 652
163: ok 653
163: ok 654
163: ok 655
163: ok 656
163: ok 657
163: ok 658
163: ok 659
163: ok 660
163: ok 661
163: ok 662
163: ok 663
163: ok 664
163: ok 665
163: ok 666
163: ok 667
163: ok 668
163: ok 669
163: ok 670
163: ok 671
163: ok 672
163: ok 673
163: ok 674
163: ok 675
163: ok 676
163: ok 677
163: ok 678
163: ok 679
163: ok 680
163: ok 681
163: ok 682
163: ok 683
163: ok 684
163: ok 685
163: ok 686
163: ok 687
163: ok 688
163: ok 689
163: ok 690
163: ok 691
163: ok 692
163: ok 693
163: ok 694
163: ok 695
163: ok 696
163: ok 697
163: ok 698
163: ok 699
163: ok 700
163: ok 701
163: ok 702
163: ok 703
163: ok 704
163: ok 705
163: ok 706
163: ok 707
163: ok 708
163: ok 709
163: ok 710
168/223 Test #163: test_aromatest_1 .................   Passed    0.05 sec
test 170
        Start 170: test_charge_mmff94_1

170: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "charge_mmff94" "1"
170: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
170: Environment variables: 
170:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
170:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
170: Test timeout computed to be: 1500
169: 
170: # Testing MMFF94 Charge Model...
169: # Testing Canonical SMILES Generation ...  
169: ok 1 # number of heavy atoms match
169: ok 2 # number of heavy atoms match
169: ok 3 # number of heavy atoms match
169: ok 4 # number of heavy atoms match
169: ok 5 # number of heavy atoms match
169: ok 6 # number of heavy atoms match
169: ok 7 # number of heavy atoms match
169: ok 8 # number of heavy atoms match
169: ok 9 # number of heavy atoms match
169: ok 10 # number of heavy atoms match
169: ok 11 # number of heavy atoms match
169: ok 12 # number of heavy atoms match
169: ok 13 # number of heavy atoms match
169: ok 14 # number of heavy atoms match
169: ok 15 # number of heavy atoms match
169: ok 16 # number of heavy atoms match
169: ok 17 # number of heavy atoms match
169: ok 18 # number of heavy atoms match
169: ok 19 # number of heavy atoms match
169: ok 20 # number of heavy atoms match
169: ok 21 # number of heavy atoms match
169: ok 22 # number of heavy atoms match
169: ok 23 # number of heavy atoms match
169: ok 24 # number of heavy atoms match
169: ok 25 # number of heavy atoms match
169: ok 26 # number of heavy atoms match
169: ok 27 # number of heavy atoms match
169: ok 28 # number of heavy atoms match
169: ok 29 # number of heavy atoms match
169: ok 30 # number of heavy atoms match
169: ok 31 # number of heavy atoms match
169: ok 32 # number of heavy atoms match
169: ok 33 # number of heavy atoms match
169: ok 34 # number of heavy atoms match
169: ok 35 # number of heavy atoms match
169: ok 36 # number of heavy atoms match
169: ok 37 # number of heavy atoms match
169: ok 38 # number of heavy atoms match
169: ok 39 # number of heavy atoms match
169: ok 40 # number of heavy atoms match
169: ok 41 # number of heavy atoms match
169: ok 42 # number of heavy atoms match
169: ok 43 # number of heavy atoms match
169: ok 44 # number of heavy atoms match
169: ok 45 # number of heavy atoms match
169: ok 46 # number of heavy atoms match
169: ok 47 # number of heavy atoms match
169: ok 48 # number of heavy atoms match
169: ok 49 # number of heavy atoms match
169: ok 50 # number of heavy atoms match
169: ok 51 # number of heavy atoms match
169: ok 52 # number of heavy atoms match
169: ok 53 # number of heavy atoms match
169: ok 54 # number of heavy atoms match
169: ok 55 # number of heavy atoms match
169: ok 56 # number of heavy atoms match
169: ok 57 # number of heavy atoms match
169: ok 58 # number of heavy atoms match
169: ok 59 # number of heavy atoms match
169: ok 60 # number of heavy atoms match
169: ok 61 # number of heavy atoms match
169: ok 62 # number of heavy atoms match
169: ok 63 # number of heavy atoms match
169: ok 64 # number of heavy atoms match
169: ok 65 # number of heavy atoms match
169: ok 66 # number of heavy atoms match
169: ok 67 # number of heavy atoms match
169: ok 68 # number of heavy atoms match
169: ok 69 # number of heavy atoms match
169: ok 70 # number of heavy atoms match
169: ok 71 # number of heavy atoms match
169: ok 72 # number of heavy atoms match
169: ok 73 # number of heavy atoms match
169: ok 74 # number of heavy atoms match
169: ok 75 # number of heavy atoms match
169: ok 76 # number of heavy atoms match
169: ok 77 # number of heavy atoms match
169: ok 78 # number of heavy atoms match
169: ok 79 # number of heavy atoms match
169: ok 80 # number of heavy atoms match
169: ok 81 # number of heavy atoms match
169: ok 82 # number of heavy atoms match
169: ok 83 # number of heavy atoms match
169: ok 84 # number of heavy atoms match
169: ok 85 # number of heavy atoms match
169: ok 86 # number of heavy atoms match
169: ok 87 # number of heavy atoms match
169: ok 88 # number of heavy atoms match
169: ok 89 # number of heavy atoms match
169: ok 90 # number of heavy atoms match
169: ok 91 # number of heavy atoms match
169: ok 92 # number of heavy atoms match
169: ok 93 # number of heavy atoms match
169: ok 94 # number of heavy atoms match
169: ok 95 # number of heavy atoms match
169: ok 96 # number of heavy atoms match
169: ok 97 # number of heavy atoms match
169: ok 98 # number of heavy atoms match
169: ok 99 # number of heavy atoms match
169: ok 100 # number of heavy atoms match
169: ok 101 # number of heavy atoms match
169: ok 102 # number of heavy atoms match
169: ok 103 # number of heavy atoms match
169: ok 104 # number of heavy atoms match
169: ok 105 # number of heavy atoms match
169: ok 106 # number of heavy atoms match
169: ok 107 # number of heavy atoms match
169: ok 108 # number of heavy atoms match
169: ok 109 # number of heavy atoms match
169: ok 110 # number of heavy atoms match
169: ok 111 # number of heavy atoms match
169: ok 112 # number of heavy atoms match
169: ok 113 # number of heavy atoms match
169: ok 114 # number of heavy atoms match
169: ok 115 # number of heavy atoms match
169: ok 116 # number of heavy atoms match
169: ok 117 # number of heavy atoms match
169: ok 118 # number of heavy atoms match
169: ok 119 # number of heavy atoms match
169: ok 120 # number of heavy atoms match
169: ok 121 # number of heavy atoms match
169: ok 122 # number of heavy atoms match
169: ok 123 # number of heavy atoms match
169: ok 124 # number of heavy atoms match
169: ok 125 # number of heavy atoms match
169: ok 126 # number of heavy atoms match
169: ok 127 # number of heavy atoms match
169: ok 128 # number of heavy atoms match
169: ok 129 # number of heavy atoms match
169: ok 130 # number of heavy atoms match
169: ok 131 # number of heavy atoms match
169: ok 132 # number of heavy atoms match
169: ok 133 # number of heavy atoms match
169: ok 134 # number of heavy atoms match
169: ok 135 # number of heavy atoms match
169: ok 136 # number of heavy atoms match
169: ok 137 # number of heavy atoms match
169: ok 138 # number of heavy atoms match
169: ok 139 # number of heavy atoms match
169: ok 140 # number of heavy atoms match
169: ok 141 # number of heavy atoms match
169: ok 142 # number of heavy atoms match
169: ok 143 # number of heavy atoms match
169: ok 144 # number of heavy atoms match
169: ok 145 # number of heavy atoms match
169: ok 146 # number of heavy atoms match
169: ok 147 # number of heavy atoms match
169: ok 148 # number of heavy atoms match
169: ok 149 # number of heavy atoms match
169: ok 150 # number of heavy atoms match
169: ok 151 # number of heavy atoms match
169: ok 152 # number of heavy atoms match
169: ok 153 # number of heavy atoms match
169: ok 154 # number of heavy atoms match
169: ok 155 # number of heavy atoms match
169: ok 156 # number of heavy atoms match
169: ok 157 # number of heavy atoms match
169: ok 158 # number of heavy atoms match
169: ok 159 # number of heavy atoms match
169: ok 160 # number of heavy atoms match
169: ok 161 # number of heavy atoms match
169: ok 162 # number of heavy atoms match
169: ok 163 # number of heavy atoms match
169: ok 164 # number of heavy atoms match
169: ok 165 # number of heavy atoms match
169: ok 166 # number of heavy atoms match
169: ok 167 # number of heavy atoms match
169: ok 168 # number of heavy atoms match
169: ok 169 # number of heavy atoms match
169: ok 170 # number of heavy atoms match
169: ok 171 # number of heavy atoms match
169: ok 172 # number of heavy atoms match
169: ok 173 # number of heavy atoms match
169: ok 174 # number of heavy atoms match
169: ok 175 # number of heavy atoms match
169: ok 176 # number of heavy atoms match
169: ok 177 # number of heavy atoms match
169: ok 178 # number of heavy atoms match
169: ok 179 # number of heavy atoms match
169: ok 180 # number of heavy atoms match
169: ok 181 # number of heavy atoms match
169: ok 182 # number of heavy atoms match
169: ok 183 # number of heavy atoms match
169: ok 184 # number of heavy atoms match
169: ok 185 # number of heavy atoms match
169: ok 186 # number of heavy atoms match
169: ok 187 # number of heavy atoms match
169: ok 188 # number of heavy atoms match
169: ok 189 # number of heavy atoms match
169: ok 190 # number of heavy atoms match
169: ok 191 # number of heavy atoms match
169: ok 192 # number of heavy atoms match
169: ok 193 # number of heavy atoms match
169: ok 194 # number of heavy atoms match
169: ok 195 # number of heavy atoms match
169: ok 196 # number of heavy atoms match
169: ok 197 # number of heavy atoms match
169: ok 198 # number of heavy atoms match
169: ok 199 # number of heavy atoms match
169: ok 200 # number of heavy atoms match
169: ok 201 # number of heavy atoms match
169: ok 202 # number of heavy atoms match
169: ok 203 # number of heavy atoms match
169: ok 204 # number of heavy atoms match
169: ok 205 # number of heavy atoms match
169: ok 206 # number of heavy atoms match
169: ok 207 # number of heavy atoms match
169: ok 208 # number of heavy atoms match
169: ok 209 # number of heavy atoms match
169: ok 210 # number of heavy atoms match
169: ok 211 # number of heavy atoms match
169: ok 212 # number of heavy atoms match
169: ok 213 # number of heavy atoms match
169: ok 214 # number of heavy atoms match
169: ok 215 # number of heavy atoms match
169: ok 216 # number of heavy atoms match
169: ok 217 # number of heavy atoms match
169: ok 218 # number of heavy atoms match
169: ok 219 # number of heavy atoms match
169: ok 220 # number of heavy atoms match
169: ok 221 # number of heavy atoms match
169: ok 222 # number of heavy atoms match
169: ok 223 # number of heavy atoms match
169: ok 224 # number of heavy atoms match
169: ok 225 # number of heavy atoms match
169: ok 226 # number of heavy atoms match
169: ok 227 # number of heavy atoms match
169: ok 228 # number of heavy atoms match
169: ok 229 # number of heavy atoms match
169: ok 230 # number of heavy atoms match
169: ok 231 # number of heavy atoms match
169: ok 232 # number of heavy atoms match
169: ok 233 # number of heavy atoms match
169: ok 234 # number of heavy atoms match
169: ok 235 # number of heavy atoms match
169: ok 236 # number of heavy atoms match
169: ok 237 # number of heavy atoms match
169: ok 238 # number of heavy atoms match
169: ok 239 # number of heavy atoms match
169: ok 240 # number of heavy atoms match
169: ok 241 # number of heavy atoms match
169: ok 242 # number of heavy atoms match
169: ok 243 # number of heavy atoms match
169: ok 244 # number of heavy atoms match
169: ok 245 # number of heavy atoms match
169: ok 246 # number of heavy atoms match
169: ok 247 # number of heavy atoms match
169: ok 248 # number of heavy atoms match
169: ok 249 # number of heavy atoms match
169: ok 250 # number of heavy atoms match
169: ok 251 # number of heavy atoms match
169: ok 252 # number of heavy atoms match
169: ok 253 # number of heavy atoms match
169: ok 254 # number of heavy atoms match
169: ok 255 # number of heavy atoms match
169: ok 256 # number of heavy atoms match
169: ok 257 # number of heavy atoms match
169: ok 258 # number of heavy atoms match
169: ok 259 # number of heavy atoms match
169: ok 260 # number of heavy atoms match
169: ok 261 # number of heavy atoms match
169: ok 262 # number of heavy atoms match
169: ok 263 # number of heavy atoms match
169: ok 264 # number of heavy atoms match
169: ok 265 # number of heavy atoms match
169: ok 266 # number of heavy atoms match
169: ok 267 # number of heavy atoms match
169: ok 268 # number of heavy atoms match
169: ok 269 # number of heavy atoms match
169: ok 270 # number of heavy atoms match
169: ok 271 # number of heavy atoms match
169: ok 272 # number of heavy atoms match
169: ok 273 # number of heavy atoms match
169: ok 274 # number of heavy atoms match
169: ok 275 # number of heavy atoms match
169: ok 276 # number of heavy atoms match
169: ok 277 # number of heavy atoms match
169: ok 278 # number of heavy atoms match
169: ok 279 # number of heavy atoms match
169: ok 280 # number of heavy atoms match
169: ok 281 # number of heavy atoms match
169: ok 282 # number of heavy atoms match
169: ok 283 # number of heavy atoms match
169: ok 284 # number of heavy atoms match
169: ok 285 # number of heavy atoms match
169: ok 286 # number of heavy atoms match
169: ok 287 # number of heavy atoms match
169: ok 288 # number of heavy atoms match
169: ok 289 # number of heavy atoms match
169: ok 290 # number of heavy atoms match
169: ok 291 # number of heavy atoms match
169: ok 292 # number of heavy atoms match
169: ok 293 # number of heavy atoms match
169: ok 294 # number of heavy atoms match
169: ok 295 # number of heavy atoms match
169: ok 296 # number of heavy atoms match
169: ok 297 # number of heavy atoms match
169: ok 298 # number of heavy atoms match
169: ok 299 # number of heavy atoms match
169: ok 300 # number of heavy atoms match
169: ok 301 # number of heavy atoms match
169: ok 302 # number of heavy atoms match
169: ok 303 # number of heavy atoms match
169: ok 304 # number of heavy atoms match
169: ok 305 # number of heavy atoms match
169: ok 306 # number of heavy atoms match
169: ok 307 # number of heavy atoms match
169: ok 308 # number of heavy atoms match
169: ok 309 # number of heavy atoms match
169: ok 310 # number of heavy atoms match
169: ok 311 # number of heavy atoms match
169: ok 312 # number of heavy atoms match
169: ok 313 # number of heavy atoms match
169: ok 314 # number of heavy atoms match
169: ok 315 # number of heavy atoms match
169: ok 316 # number of heavy atoms match
169: ok 317 # number of heavy atoms match
169: ok 318 # number of heavy atoms match
169: ok 319 # number of heavy atoms match
169: ok 320 # number of heavy atoms match
169: ok 321 # number of heavy atoms match
169: ok 322 # number of heavy atoms match
169: ok 323 # number of heavy atoms match
169: ok 324 # number of heavy atoms match
169: ok 325 # number of heavy atoms match
169: ok 326 # number of heavy atoms match
169: ok 327 # number of heavy atoms match
169: ok 328 # number of heavy atoms match
169: ok 329 # number of heavy atoms match
169: ok 330 # number of heavy atoms match
169: ok 331 # number of heavy atoms match
169: ok 332 # number of heavy atoms match
169: ok 333 # number of heavy atoms match
169: ok 334 # number of heavy atoms match
169: ok 335 # number of heavy atoms match
169: ok 336 # number of heavy atoms match
169: ok 337 # number of heavy atoms match
169: ok 338 # number of heavy atoms match
169: ok 339 # number of heavy atoms match
169: ok 340 # number of heavy atoms match
169: ok 341 # number of heavy atoms match
169: ok 342 # number of heavy atoms match
169: ok 343 # number of heavy atoms match
169: ok 344 # number of heavy atoms match
169: ok 345 # number of heavy atoms match
169: ok 346 # number of heavy atoms match
169: ok 347 # number of heavy atoms match
169: ok 348 # number of heavy atoms match
169: ok 349 # number of heavy atoms match
169: ok 350 # number of heavy atoms match
169: ok 351 # number of heavy atoms match
169: ok 352 # number of heavy atoms match
169: ok 353 # number of heavy atoms match
169: ok 354 # number of heavy atoms match
169: ok 355 # number of heavy atoms match
169: ok 356 # number of heavy atoms match
169: ok 357 # number of heavy atoms match
169: ok 358 # number of heavy atoms match
169: ok 359 # number of heavy atoms match
169: ok 360 # number of heavy atoms match
169: ok 361 # number of heavy atoms match
169: ok 362 # number of heavy atoms match
169: ok 363 # number of heavy atoms match
169: ok 364 # number of heavy atoms match
169: ok 365 # number of heavy atoms match
169: ok 366 # number of heavy atoms match
169: ok 367 # number of heavy atoms match
169: ok 368 # number of heavy atoms match
169: ok 369 # number of heavy atoms match
169: ok 370 # number of heavy atoms match
169: ok 371 # number of heavy atoms match
169: ok 372 # number of heavy atoms match
169: ok 373 # number of heavy atoms match
169: ok 374 # number of heavy atoms match
169: ok 375 # number of heavy atoms match
169: ok 376 # number of heavy atoms match
169: ok 377 # number of heavy atoms match
169: ok 378 # number of heavy atoms match
169: ok 379 # number of heavy atoms match
169: ok 380 # number of heavy atoms match
169: ok 381 # number of heavy atoms match
169: ok 382 # number of heavy atoms match
169: ok 383 # number of heavy atoms match
169: ok 384 # number of heavy atoms match
169: ok 385 # number of heavy atoms match
169: ok 386 # number of heavy atoms match
169: ok 387 # number of heavy atoms match
169: ok 388 # number of heavy atoms match
169: ok 389 # number of heavy atoms match
169: ok 390 # number of heavy atoms match
169: ok 391 # number of heavy atoms match
169: ok 392 # number of heavy atoms match
169: ok 393 # number of heavy atoms match
169: ok 394 # number of heavy atoms match
169: ok 395 # number of heavy atoms match
169: ok 396 # number of heavy atoms match
169: ok 397 # number of heavy atoms match
169: ok 398 # number of heavy atoms match
169: ok 399 # number of heavy atoms match
169: ok 400 # number of heavy atoms match
169: ok 401 # number of heavy atoms match
169: ok 402 # number of heavy atoms match
169: ok 403 # number of heavy atoms match
169: ok 404 # number of heavy atoms match
169: ok 405 # number of heavy atoms match
169: ok 406 # number of heavy atoms match
169: ok 407 # number of heavy atoms match
169: ok 408 # number of heavy atoms match
169: ok 409 # number of heavy atoms match
169: ok 410 # number of heavy atoms match
169: ok 411 # number of heavy atoms match
169: ok 412 # number of heavy atoms match
169: ok 413 # number of heavy atoms match
169: ok 414 # number of heavy atoms match
169: ok 415 # number of heavy atoms match
169: ok 416 # number of heavy atoms match
169: ok 417 # number of heavy atoms match
169: ok 418 # number of heavy atoms match
169: ok 419 # number of heavy atoms match
169: ok 420 # number of heavy atoms match
169: ok 421 # number of heavy atoms match
169: ok 422 # number of heavy atoms match
169: ok 423 # number of heavy atoms match
169: ok 424 # number of heavy atoms match
169: ok 425 # number of heavy atoms match
169: ok 426 # number of heavy atoms match
169: ok 427 # number of heavy atoms match
169: ok 428 # number of heavy atoms match
169: ok 429 # number of heavy atoms match
169: ok 430 # number of heavy atoms match
169: ok 431 # number of heavy atoms match
169: ok 432 # number of heavy atoms match
169: ok 433 # number of heavy atoms match
169: ok 434 # number of heavy atoms match
169: ok 435 # number of heavy atoms match
169: ok 436 # number of heavy atoms match
169: ok 437 # number of heavy atoms match
169: ok 438 # number of heavy atoms match
169: ok 439 # number of heavy atoms match
169: ok 440 # number of heavy atoms match
169: ok 441 # number of heavy atoms match
169: ok 442 # number of heavy atoms match
169: ok 443 # number of heavy atoms match
169: ok 444 # number of heavy atoms match
170: ok 1 # dipole
170: ok 2 # charge
170: ok 3 # charge
170: ok 4 # charge
170: ok 5 # charge
170: ok 6 # charge
170: ok 7 # charge
170: ok 8 # charge
170: ok 9 # charge
170: ok 10 # charge
170: ok 11 # charge
170: ok 12 # charge
170: ok 13 # charge
170: ok 14 # charge
170: ok 15 # charge
170: ok 16 # charge
170: ok 17 # charge
170: ok 18 # charge
170: ok 19 # charge
170: ok 20 # charge
170: ok 21 # charge
170: ok 22 # charge
170: ok 23 # charge
170: ok 24 # charge
170: ok 25 # charge
170: ok 26 # charge
170: ok 27 # charge
170: ok 28 # charge
170: ok 29 # charge
170: ok 30 # charge
170: ok 31 # charge
170: ok 32 # charge
170: ok 33 # charge
170: ok 34 # charge
170: ok 35 # charge
170: ok 36 # charge
170: ok 37 # charge
170: ok 38 # charge
170: ok 39 # charge
170: ok 40 # charge
170: ok 41 # dipole
170: ok 42 # charge
170: ok 43 # charge
170: ok 44 # charge
170: ok 45 # charge
170: ok 46 # charge
170: ok 47 # charge
170: ok 48 # charge
170: ok 49 # dipole
170: ok 50 # charge
170: ok 51 # charge
170: ok 52 # charge
170: ok 53 # charge
170: ok 54 # charge
170: ok 55 # charge
170: ok 56 # charge
170: ok 57 # charge
170: ok 58 # charge
170: ok 59 # dipole
170: ok 60 # charge
170: ok 61 # charge
170: ok 62 # charge
170: ok 63 # charge
170: ok 64 # charge
170: ok 65 # charge
170: ok 66 # charge
170: ok 67 # charge
170: ok 68 # dipole
170: ok 69 # charge
170: ok 70 # charge
170: ok 71 # charge
170: ok 72 # charge
170: ok 73 # charge
170: ok 74 # charge
170: ok 75 # charge
170: ok 76 # charge
170: ok 77 # charge
170: ok 78 # charge
170: ok 79 # charge
170: ok 80 # charge
170: ok 81 # charge
170: ok 82 # dipole
170: ok 83 # charge
170: ok 84 # charge
170: ok 85 # charge
170: ok 86 # charge
170: ok 87 # charge
170: ok 88 # charge
170: ok 89 # charge
170: ok 90 # charge
170: ok 91 # charge
170: ok 92 # charge
170: ok 93 # charge
170: ok 94 # charge
170: ok 95 # charge
170: ok 96 # dipole
170: ok 97 # charge
170: ok 98 # charge
170: ok 99 # charge
170: ok 100 # charge
170: ok 101 # charge
170: ok 102 # charge
170: ok 103 # charge
170: ok 104 # charge
170: ok 105 # charge
170: ok 106 # charge
170: ok 107 # charge
170: ok 108 # charge
170: ok 109 # charge
170: ok 110 # charge
170: ok 111 # charge
170: ok 112 # charge
170: ok 113 # charge
170: ok 114 # charge
170: ok 115 # charge
170: ok 116 # charge
170: ok 117 # charge
170: ok 118 # charge
170: ok 119 # charge
170: ok 120 # charge
170: ok 121 # charge
170: ok 122 # charge
170: ok 123 # charge
170: ok 124 # charge
170: ok 125 # charge
170: ok 126 # charge
170: ok 127 # charge
170: ok 128 # charge
170: ok 129 # charge
170: ok 130 # charge
170: ok 131 # charge
170: ok 132 # charge
170: ok 133 # charge
170: ok 134 # charge
170: ok 135 # charge
170: ok 136 # charge
170: ok 137 # charge
170: ok 138 # charge
170: ok 139 # charge
170: ok 140 # charge
170: ok 141 # charge
170: ok 142 # charge
170: ok 143 # charge
170: ok 144 # charge
170: ok 145 # charge
170: ok 146 # charge
170: ok 147 # charge
170: ok 148 # charge
170: ok 149 # charge
170: ok 150 # charge
170: ok 151 # charge
170: ok 152 # charge
170: ok 153 # charge
170: ok 154 # charge
170: ok 155 # charge
170: ok 156 # charge
170: ok 157 # charge
170: ok 158 # charge
170: ok 159 # charge
170: ok 160 # charge
170: ok 161 # charge
170: ok 162 # dipole
170: ok 163 # charge
170: ok 164 # charge
170: ok 165 # charge
170: ok 166 # charge
170: ok 167 # charge
170: ok 168 # charge
170: ok 169 # charge
170: ok 170 # charge
170: ok 171 # charge
170: ok 172 # charge
170: ok 173 # charge
170: ok 174 # charge
170: ok 175 # charge
170: ok 176 # charge
170: ok 177 # charge
170: ok 178 # charge
170: ok 179 # charge
170: ok 180 # charge
170: ok 181 # charge
170: ok 182 # charge
170: ok 183 # charge
170: ok 184 # charge
170: ok 185 # charge
170: ok 186 # charge
170: ok 187 # dipole
170: ok 188 # charge
170: ok 189 # charge
170: ok 190 # charge
170: ok 191 # charge
170: ok 192 # charge
170: ok 193 # charge
170: ok 194 # charge
170: ok 195 # charge
170: ok 196 # charge
170: ok 197 # charge
170: ok 198 # charge
170: ok 199 # charge
170: ok 200 # charge
170: ok 201 # charge
170: ok 202 # charge
170: ok 203 # charge
170: ok 204 # charge
170: ok 205 # charge
170: ok 206 # charge
170: ok 207 # charge
170: ok 208 # charge
170: ok 209 # charge
170: ok 210 # charge
170: ok 211 # charge
170: ok 212 # charge
170: ok 213 # charge
170: ok 214 # charge
170: ok 215 # charge
170: ok 216 # charge
170: ok 217 # charge
170: ok 218 # charge
170: ok 219 # charge
170: ok 220 # charge
170: ok 221 # charge
170: ok 222 # charge
170: ok 223 # charge
170: ok 224 # charge
170: ok 225 # charge
170: ok 226 # charge
170: ok 227 # charge
170: ok 228 # charge
170: ok 229 # charge
170: ok 230 # charge
170: ok 231 # charge
170: ok 232 # charge
170: ok 233 # charge
170: ok 234 # charge
170: ok 235 # charge
170: ok 236 # charge
170: ok 237 # charge
170: ok 238 # charge
170: ok 239 # charge
170: ok 240 # charge
170: ok 241 # charge
170: ok 242 # charge
170: ok 243 # charge
170: ok 244 # charge
170: ok 245 # charge
170: ok 246 # charge
170: ok 247 # charge
170: ok 248 # dipole
170: ok 249 # charge
170: ok 250 # charge
170: ok 251 # charge
170: ok 252 # charge
170: ok 253 # charge
170: ok 254 # charge
170: ok 255 # charge
170: ok 256 # charge
170: ok 257 # charge
170: ok 258 # charge
170: ok 259 # charge
170: ok 260 # charge
170: ok 261 # charge
170: ok 262 # charge
169: ok 445 # number of heavy atoms match
169: ok 446 # number of heavy atoms match
169: ok 447 # number of heavy atoms match
169: ok 448 # number of heavy atoms match
169: ok 449 # number of heavy atoms match
169: ok 450 # number of heavy atoms match
169: ok 451 # number of heavy atoms match
169: ok 452 # number of heavy atoms match
169: ok 453 # number of heavy atoms match
169: ok 454 # number of heavy atoms match
169: ok 455 # number of heavy atoms match
169: ok 456 # number of heavy atoms match
169: ok 457 # number of heavy atoms match
169: ok 458 # number of heavy atoms match
169: ok 459 # number of heavy atoms match
169: ok 460 # number of heavy atoms match
169: ok 461 # number of heavy atoms match
169: ok 462 # number of heavy atoms match
169: ok 463 # number of heavy atoms match
169: ok 464 # number of heavy atoms match
169: ok 465 # number of heavy atoms match
169: ok 466 # number of heavy atoms match
169: ok 467 # number of heavy atoms match
169: ok 468 # number of heavy atoms match
169: ok 469 # number of heavy atoms match
169: ok 470 # number of heavy atoms match
169: ok 471 # number of heavy atoms match
169: ok 472 # number of heavy atoms match
169: ok 473 # number of heavy atoms match
169: ok 474 # number of heavy atoms match
169: ok 475 # number of heavy atoms match
169: ok 476 # number of heavy atoms match
169: ok 477 # number of heavy atoms match
169: ok 478 # number of heavy atoms match
169: ok 479 # number of heavy atoms match
169: ok 480 # number of heavy atoms match
169: ok 481 # number of heavy atoms match
169: ok 482 # number of heavy atoms match
169: ok 483 # number of heavy atoms match
169: ok 484 # number of heavy atoms match
169: ok 485 # number of heavy atoms match
169: ok 486 # number of heavy atoms match
169: ok 487 # number of heavy atoms match
169: ok 488 # number of heavy atoms match
169: ok 489 # number of heavy atoms match
169: ok 490 # number of heavy atoms match
169: ok 491 # number of heavy atoms match
169: ok 492 # number of heavy atoms match
169: ok 493 # number of heavy atoms match
169: ok 494 # number of heavy atoms match
169: ok 495 # number of heavy atoms match
169: ok 496 # number of heavy atoms match
169: ok 497 # number of heavy atoms match
169: ok 498 # number of heavy atoms match
169: ok 499 # number of heavy atoms match
169: ok 500 # number of heavy atoms match
169: ok 501 # number of heavy atoms match
169: ok 502 # number of heavy atoms match
169: ok 503 # number of heavy atoms match
169: ok 504 # number of heavy atoms match
169: ok 505 # number of heavy atoms match
169: ok 506 # number of heavy atoms match
169: ok 507 # number of heavy atoms match
169: ok 508 # number of heavy atoms match
169: ok 509 # number of heavy atoms match
169: ok 510 # number of heavy atoms match
169: ok 511 # number of heavy atoms match
169: ok 512 # number of heavy atoms match
169: ok 513 # number of heavy atoms match
169: ok 514 # number of heavy atoms match
169: ok 515 # number of heavy atoms match
169: ok 516 # number of heavy atoms match
169: ok 517 # number of heavy atoms match
169: ok 518 # number of heavy atoms match
169: ok 519 # number of heavy atoms match
169: ok 520 # number of heavy atoms match
169: ok 521 # number of heavy atoms match
169: ok 522 # number of heavy atoms match
169: ok 523 # number of heavy atoms match
169: ok 524 # number of heavy atoms match
169: ok 525 # number of heavy atoms match
169: ok 526 # number of heavy atoms match
169: ok 527 # number of heavy atoms match
169: ok 528 # number of heavy atoms match
169: ok 529 # number of heavy atoms match
169: ok 530 # number of heavy atoms match
169: ok 531 # number of heavy atoms match
169: ok 532 # number of heavy atoms match
169: ok 533 # number of heavy atoms match
169: ok 534 # number of heavy atoms match
169: ok 535 # number of heavy atoms match
169: ok 536 # number of heavy atoms match
169: ok 537 # number of heavy atoms match
169: ok 538 # number of heavy atoms match
169: ok 539 # number of heavy atoms match
169: ok 540 # number of heavy atoms match
169: ok 541 # number of heavy atoms match
169: ok 542 # number of heavy atoms match
169: ok 543 # number of heavy atoms match
169: ok 544 # number of heavy atoms match
169: ok 545 # number of heavy atoms match
169: ok 546 # number of heavy atoms match
169: ok 547 # number of heavy atoms match
169: ok 548 # number of heavy atoms match
169: ok 549 # number of heavy atoms match
169: ok 550 # number of heavy atoms match
169: ok 551 # number of heavy atoms match
169: ok 552 # number of heavy atoms match
169: ok 553 # number of heavy atoms match
169: ok 554 # number of heavy atoms match
169: ok 555 # number of heavy atoms match
169: ok 556 # number of heavy atoms match
169: ok 557 # number of heavy atoms match
169: ok 558 # number of heavy atoms match
169: ok 559 # number of heavy atoms match
169: ok 560 # number of heavy atoms match
169: ok 561 # number of heavy atoms match
169: ok 562 # number of heavy atoms match
169: ok 563 # number of heavy atoms match
169: ok 564 # number of heavy atoms match
169: ok 565 # number of heavy atoms match
169: ok 566 # number of heavy atoms match
169: ok 567 # number of heavy atoms match
169: ok 568 # number of heavy atoms match
169: ok 569 # number of heavy atoms match
169: ok 570 # number of heavy atoms match
169: ok 571 # number of heavy atoms match
169: ok 572 # number of heavy atoms match
169: ok 573 # number of heavy atoms match
169: ok 574 # number of heavy atoms match
169: ok 575 # number of heavy atoms match
169: ok 576 # number of heavy atoms match
169: ok 577 # number of heavy atoms match
169: ok 578 # number of heavy atoms match
169: ok 579 # number of heavy atoms match
169: ok 580 # number of heavy atoms match
169: ok 581 # number of heavy atoms match
169: ok 582 # number of heavy atoms match
169: ok 583 # number of heavy atoms match
169: ok 584 # number of heavy atoms match
169: ok 585 # number of heavy atoms match
169: ok 586 # number of heavy atoms match
169: ok 587 # number of heavy atoms match
169: ok 588 # number of heavy atoms match
169: ok 589 # number of heavy atoms match
169: ok 590 # number of heavy atoms match
169: ok 591 # number of heavy atoms match
169: ok 592 # number of heavy atoms match
169: ok 593 # number of heavy atoms match
169: ok 594 # number of heavy atoms match
169: ok 595 # number of heavy atoms match
169: ok 596 # number of heavy atoms match
169: ok 597 # number of heavy atoms match
169: ok 598 # number of heavy atoms match
169: ok 599 # number of heavy atoms match
169: ok 600 # number of heavy atoms match
169: ok 601 # number of heavy atoms match
169: ok 602 # number of heavy atoms match
169: ok 603 # number of heavy atoms match
169: ok 604 # number of heavy atoms match
169: ok 605 # number of heavy atoms match
169: ok 606 # number of heavy atoms match
169: ok 607 # number of heavy atoms match
169: ok 608 # number of heavy atoms match
169: ok 609 # number of heavy atoms match
169: ok 610 # number of heavy atoms match
169: ok 611 # number of heavy atoms match
169: ok 612 # number of heavy atoms match
169: ok 613 # number of heavy atoms match
169: ok 614 # number of heavy atoms match
169: ok 615 # number of heavy atoms match
169: ok 616 # number of heavy atoms match
169: ok 617 # number of heavy atoms match
169: ok 618 # number of heavy atoms match
169: ok 619 # number of heavy atoms match
169: ok 620 # number of heavy atoms match
169: ok 621 # number of heavy atoms match
169: ok 622 # number of heavy atoms match
169: ok 623 # number of heavy atoms match
169: ok 624 # number of heavy atoms match
169: ok 625 # number of heavy atoms match
169: ok 626 # number of heavy atoms match
169: ok 627 # number of heavy atoms match
169: ok 628 # number of heavy atoms match
169: ok 629 # number of heavy atoms match
169: ok 630 # number of heavy atoms match
169: ok 631 # number of heavy atoms match
169: ok 632 # number of heavy atoms match
169: ok 633 # number of heavy atoms match
169: ok 634 # number of heavy atoms match
169: ok 635 # number of heavy atoms match
169: ok 636 # number of heavy atoms match
169: ok 637 # number of heavy atoms match
169: ok 638 # number of heavy atoms match
169: ok 639 # number of heavy atoms match
169: ok 640 # number of heavy atoms match
169: ok 641 # number of heavy atoms match
169: ok 642 # number of heavy atoms match
169: ok 643 # number of heavy atoms match
169: ok 644 # number of heavy atoms match
169: ok 645 # number of heavy atoms match
169: ok 646 # number of heavy atoms match
169: ok 647 # number of heavy atoms match
169: ok 648 # number of heavy atoms match
169: ok 649 # number of heavy atoms match
169: ok 650 # number of heavy atoms match
169: ok 651 # number of heavy atoms match
169: ok 652 # number of heavy atoms match
169: ok 653 # number of heavy atoms match
169: ok 654 # number of heavy atoms match
169: ok 655 # number of heavy atoms match
169: ok 656 # number of heavy atoms match
169: ok 657 # number of heavy atoms match
169: ok 658 # number of heavy atoms match
169: ok 659 # number of heavy atoms match
169: ok 660 # number of heavy atoms match
169: ok 661 # number of heavy atoms match
169: ok 662 # number of heavy atoms match
169: ok 663 # number of heavy atoms match
169: ok 664 # number of heavy atoms match
169: ok 665 # number of heavy atoms match
170: ok 263 # charge
170: ok 264 # charge
170: ok 265 # charge
170: ok 266 # charge
170: ok 267 # charge
170: ok 268 # charge
170: ok 269 # charge
170: ok 270 # charge
170: ok 271 # charge
170: ok 272 # charge
170: ok 273 # dipole
170: ok 274 # charge
170: ok 275 # charge
170: ok 276 # charge
170: ok 277 # charge
170: ok 278 # charge
170: ok 279 # charge
170: ok 280 # charge
170: ok 281 # charge
170: ok 282 # charge
170: ok 283 # charge
170: ok 284 # charge
170: ok 285 # charge
170: ok 286 # charge
170: ok 287 # charge
170: ok 288 # charge
170: ok 289 # charge
170: ok 290 # charge
170: ok 291 # charge
170: ok 292 # charge
170: ok 293 # charge
170: ok 294 # charge
170: ok 295 # charge
170: ok 296 # charge
170: ok 297 # charge
170: ok 298 # charge
170: ok 299 # charge
170: ok 300 # charge
170: ok 301 # charge
170: ok 302 # charge
170: ok 303 # charge
170: ok 304 # charge
170: ok 305 # charge
170: ok 306 # charge
170: ok 307 # charge
170: ok 308 # charge
170: ok 309 # charge
170: ok 310 # charge
170: ok 311 # charge
170: ok 312 # charge
170: ok 313 # charge
170: ok 314 # charge
170: ok 315 # charge
170: ok 316 # charge
170: ok 317 # charge
170: ok 318 # charge
170: ok 319 # charge
170: ok 320 # charge
170: ok 321 # charge
170: ok 322 # charge
170: ok 323 # charge
170: ok 324 # charge
170: ok 325 # charge
170: ok 326 # charge
170: ok 327 # charge
170: ok 328 # charge
170: ok 329 # charge
170: ok 330 # charge
170: ok 331 # charge
170: ok 332 # charge
170: ok 333 # charge
170: ok 334 # charge
170: ok 335 # charge
170: ok 336 # charge
170: ok 337 # charge
170: ok 338 # charge
170: ok 339 # charge
170: ok 340 # charge
170: ok 341 # charge
170: ok 342 # charge
170: ok 343 # charge
170: ok 344 # charge
170: ok 345 # charge
170: ok 346 # charge
170: ok 347 # charge
170: ok 348 # dipole
170: ok 349 # charge
170: ok 350 # charge
170: ok 351 # charge
170: ok 352 # charge
170: ok 353 # charge
170: ok 354 # charge
170: ok 355 # charge
170: ok 356 # charge
170: ok 357 # charge
170: ok 358 # charge
170: ok 359 # charge
170: ok 360 # charge
170: ok 361 # charge
170: ok 362 # charge
170: ok 363 # charge
170: ok 364 # charge
170: ok 365 # charge
170: ok 366 # charge
170: ok 367 # charge
170: ok 368 # charge
170: ok 369 # charge
170: ok 370 # charge
170: ok 371 # charge
170: ok 372 # charge
170: ok 373 # charge
170: ok 374 # charge
170: ok 375 # charge
170: ok 376 # charge
170: ok 377 # charge
170: ok 378 # charge
170: ok 379 # charge
170: ok 380 # charge
170: ok 381 # charge
170: ok 382 # charge
170: ok 383 # charge
170: ok 384 # charge
170: ok 385 # charge
170: ok 386 # charge
170: ok 387 # charge
170: ok 388 # charge
170: ok 389 # charge
170: ok 390 # charge
170: ok 391 # dipole
170: ok 392 # charge
170: ok 393 # charge
170: ok 394 # charge
170: ok 395 # charge
170: ok 396 # charge
170: ok 397 # charge
170: ok 398 # charge
170: ok 399 # charge
170: ok 400 # charge
170: ok 401 # charge
170: ok 402 # charge
170: ok 403 # charge
170: ok 404 # charge
170: ok 405 # charge
170: ok 406 # charge
170: ok 407 # charge
170: ok 408 # charge
170: ok 409 # charge
170: ok 410 # charge
170: ok 411 # charge
170: ok 412 # charge
170: ok 413 # charge
170: ok 414 # charge
170: ok 415 # charge
170: ok 416 # charge
170: ok 417 # charge
170: ok 418 # charge
170: ok 419 # charge
170: ok 420 # charge
170: ok 421 # charge
170: ok 422 # charge
170: ok 423 # charge
170: ok 424 # charge
170: ok 425 # charge
170: ok 426 # charge
170: ok 427 # charge
170: ok 428 # charge
170: ok 429 # dipole
170: ok 430 # charge
170: ok 431 # charge
170: ok 432 # charge
170: ok 433 # charge
170: ok 434 # charge
170: ok 435 # charge
170: ok 436 # charge
170: ok 437 # charge
170: ok 438 # charge
170: ok 439 # charge
170: ok 440 # charge
170: ok 441 # charge
170: ok 442 # charge
170: ok 443 # charge
170: ok 444 # charge
170: ok 445 # charge
170: ok 446 # charge
170: ok 447 # charge
170: ok 448 # charge
170: ok 449 # charge
170: ok 450 # charge
170: ok 451 # charge
170: ok 452 # charge
170: ok 453 # charge
170: ok 454 # charge
170: ok 455 # charge
170: ok 456 # charge
170: ok 457 # charge
170: ok 458 # charge
170: ok 459 # charge
170: ok 460 # charge
170: ok 461 # charge
170: ok 462 # charge
170: ok 463 # charge
170: ok 464 # charge
170: ok 465 # charge
170: ok 466 # charge
170: ok 467 # charge
170: ok 468 # charge
170: ok 469 # dipole
170: ok 470 # charge
170: ok 471 # charge
170: ok 472 # charge
170: ok 473 # charge
170: ok 474 # charge
170: ok 475 # charge
170: ok 476 # charge
170: ok 477 # charge
170: ok 478 # charge
170: ok 479 # charge
170: ok 480 # charge
170: ok 481 # charge
170: ok 482 # charge
170: ok 483 # charge
170: ok 484 # charge
170: ok 485 # charge
170: ok 486 # charge
170: ok 487 # charge
170: ok 488 # charge
170: ok 489 # charge
170: ok 490 # charge
170: ok 491 # charge
170: ok 492 # charge
170: ok 493 # charge
170: ok 494 # charge
170: ok 495 # charge
170: ok 496 # charge
170: ok 497 # charge
170: ok 498 # charge
170: ok 499 # charge
170: ok 500 # charge
170: ok 501 # charge
170: ok 502 # charge
170: ok 503 # dipole
170: ok 504 # charge
170: ok 505 # charge
170: ok 506 # charge
170: ok 507 # charge
170: ok 508 # charge
170: ok 509 # charge
170: ok 510 # charge
170: ok 511 # charge
170: ok 512 # charge
170: ok 513 # charge
170: ok 514 # charge
170: ok 515 # charge
170: ok 516 # charge
170: ok 517 # charge
170: ok 518 # charge
170: ok 519 # charge
170: ok 520 # charge
170: ok 521 # charge
170: ok 522 # charge
170: ok 523 # charge
170: ok 524 # charge
170: ok 525 # charge
170: ok 526 # charge
170: ok 527 # charge
170: ok 528 # charge
170: ok 529 # charge
170: ok 530 # charge
170: ok 531 # charge
170: ok 532 # charge
170: ok 533 # charge
170: ok 534 # charge
170: ok 535 # dipole
170: ok 536 # charge
170: ok 537 # charge
170: ok 538 # charge
170: ok 539 # charge
170: ok 540 # charge
170: ok 541 # charge
170: ok 542 # charge
170: ok 543 # charge
170: ok 544 # charge
170: ok 545 # charge
170: ok 546 # charge
170: ok 547 # charge
170: ok 548 # charge
170: ok 549 # charge
170: ok 550 # charge
170: ok 551 # charge
170: ok 552 # charge
170: ok 553 # charge
170: ok 554 # charge
170: ok 555 # charge
170: ok 556 # charge
170: ok 557 # charge
170: ok 558 # charge
170: ok 559 # charge
170: ok 560 # charge
170: ok 561 # charge
170: ok 562 # charge
170: ok 563 # dipole
170: ok 564 # charge
170: ok 565 # charge
170: ok 566 # charge
170: ok 567 # charge
170: ok 568 # charge
170: ok 569 # charge
170: ok 570 # charge
170: ok 571 # charge
170: ok 572 # charge
170: ok 573 # charge
170: ok 574 # charge
170: ok 575 # charge
170: ok 576 # charge
170: ok 577 # charge
170: ok 578 # charge
170: ok 579 # charge
170: ok 580 # charge
170: ok 581 # charge
170: ok 582 # charge
170: ok 583 # charge
170: ok 584 # charge
170: ok 585 # charge
170: ok 586 # charge
170: ok 587 # charge
170: ok 588 # charge
170: ok 589 # charge
170: ok 590 # charge
170: ok 591 # charge
170: ok 592 # charge
170: ok 593 # charge
170: ok 594 # charge
170: ok 595 # charge
170: ok 596 # charge
170: ok 597 # charge
170: ok 598 # charge
170: ok 599 # charge
170: ok 600 # charge
170: ok 601 # charge
170: ok 602 # charge
170: ok 603 # charge
170: ok 604 # charge
170: ok 605 # charge
170: ok 606 # charge
170: ok 607 # charge
170: ok 608 # charge
170: ok 609 # charge
170: ok 610 # charge
170: ok 611 # charge
170: ok 612 # charge
170: ok 613 # charge
170: ok 614 # charge
170: ok 615 # charge
170: ok 616 # charge
170: ok 617 # charge
170: ok 618 # charge
170: ok 619 # charge
170: ok 620 # charge
170: ok 621 # charge
170: ok 622 # charge
170: ok 623 # charge
170: ok 624 # charge
170: ok 625 # charge
170: ok 626 # charge
170: 1..626
169/223 Test #170: test_charge_mmff94_1 .............   Passed    0.19 sec
test 171
        Start 171: test_charge_gasteiger_1

171: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "charge_gasteiger" "1"
171: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
171: Environment variables: 
171:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
171:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
171: Test timeout computed to be: 1500
169: ok 666 # number of heavy atoms match
169: ok 667 # number of heavy atoms match
169: ok 668 # number of heavy atoms match
169: ok 669 # number of heavy atoms match
169: ok 670 # number of heavy atoms match
169: ok 671 # number of heavy atoms match
169: ok 672 # number of heavy atoms match
169: ok 673 # number of heavy atoms match
169: ok 674 # number of heavy atoms match
169: ok 675 # number of heavy atoms match
169: ok 676 # number of heavy atoms match
169: ok 677 # number of heavy atoms match
169: ok 678 # number of heavy atoms match
169: ok 679 # number of heavy atoms match
169: ok 680 # number of heavy atoms match
169: ok 681 # number of heavy atoms match
169: ok 682 # number of heavy atoms match
169: ok 683 # number of heavy atoms match
169: ok 684 # number of heavy atoms match
169: ok 685 # number of heavy atoms match
169: ok 686 # number of heavy atoms match
169: ok 687 # number of heavy atoms match
169: ok 688 # number of heavy atoms match
169: ok 689 # number of heavy atoms match
169: ok 690 # number of heavy atoms match
169: ok 691 # number of heavy atoms match
169: ok 692 # number of heavy atoms match
169: ok 693 # number of heavy atoms match
169: ok 694 # number of heavy atoms match
169: ok 695 # number of heavy atoms match
169: ok 696 # number of heavy atoms match
169: ok 697 # number of heavy atoms match
169: ok 698 # number of heavy atoms match
169: ok 699 # number of heavy atoms match
169: ok 700 # number of heavy atoms match
169: ok 701 # number of heavy atoms match
169: ok 702 # number of heavy atoms match
169: ok 703 # number of heavy atoms match
169: ok 704 # number of heavy atoms match
169: ok 705 # number of heavy atoms match
169: ok 706 # number of heavy atoms match
169: ok 707 # number of heavy atoms match
169: ok 708 # number of heavy atoms match
169: ok 709 # number of heavy atoms match
169: ok 710 # number of heavy atoms match
169: ok 711 # number of heavy atoms match
169: ok 712 # number of heavy atoms match
169: ok 713 # number of heavy atoms match
169: ok 714 # number of heavy atoms match
169: ok 715 # number of heavy atoms match
169: ok 716 # number of heavy atoms match
169: ok 717 # number of heavy atoms match
169: ok 718 # number of heavy atoms match
169: ok 719 # number of heavy atoms match
169: ok 720 # number of heavy atoms match
169: ok 721 # number of heavy atoms match
169: ok 722 # number of heavy atoms match
169: ok 723 # number of heavy atoms match
169: ok 724 # number of heavy atoms match
169: ok 725 # number of heavy atoms match
169: ok 726 # number of heavy atoms match
169: ok 727 # number of heavy atoms match
169: ok 728 # number of heavy atoms match
169: ok 729 # number of heavy atoms match
169: ok 730 # number of heavy atoms match
169: ok 731 # number of heavy atoms match
169: ok 732 # number of heavy atoms match
169: ok 733 # number of heavy atoms match
169: ok 734 # number of heavy atoms match
169: ok 735 # number of heavy atoms match
169: ok 736 # number of heavy atoms match
169: ok 737 # number of heavy atoms match
169: ok 738 # number of heavy atoms match
169: ok 739 # number of heavy atoms match
169: ok 740 # number of heavy atoms match
169: ok 741 # number of heavy atoms match
169: ok 742 # number of heavy atoms match
169: ok 743 # number of heavy atoms match
169: ok 744 # number of heavy atoms match
169: ok 745 # number of heavy atoms match
169: ok 746 # number of heavy atoms match
169: ok 747 # number of heavy atoms match
169: ok 748 # number of heavy atoms match
169: ok 749 # number of heavy atoms match
169: ok 750 # number of heavy atoms match
169: ok 751 # number of heavy atoms match
169: ok 752 # number of heavy atoms match
169: ok 753 # number of heavy atoms match
169: ok 754 # number of heavy atoms match
169: ok 755 # number of heavy atoms match
169: ok 756 # number of heavy atoms match
169: ok 757 # number of heavy atoms match
169: ok 758 # number of heavy atoms match
169: ok 759 # number of heavy atoms match
169: ok 760 # number of heavy atoms match
169: ok 761 # number of heavy atoms match
169: ok 762 # number of heavy atoms match
169: ok 763 # number of heavy atoms match
169: ok 764 # number of heavy atoms match
169: ok 765 # number of heavy atoms match
169: ok 766 # number of heavy atoms match
169: ok 767 # number of heavy atoms match
169: ok 768 # number of heavy atoms match
169: ok 769 # number of heavy atoms match
169: ok 770 # number of heavy atoms match
169: ok 771 # number of heavy atoms match
169: ok 772 # number of heavy atoms match
169: ok 773 # number of heavy atoms match
169: ok 774 # number of heavy atoms match
169: ok 775 # number of heavy atoms match
169: ok 776 # number of heavy atoms match
171: # Testing GASTEIGER Charge Model...
169: ok 777 # number of heavy atoms match
169: ok 778 # number of heavy atoms match
169: ok 779 # number of heavy atoms match
169: ok 780 # number of heavy atoms match
169: ok 781 # number of heavy atoms match
169: ok 782 # number of heavy atoms match
169: ok 783 # number of heavy atoms match
169: ok 784 # number of heavy atoms match
169: ok 785 # number of heavy atoms match
169: ok 786 # number of heavy atoms match
169: ok 787 # number of heavy atoms match
169: ok 788 # number of heavy atoms match
169: ok 789 # number of heavy atoms match
169: ok 790 # number of heavy atoms match
169: ok 791 # number of heavy atoms match
169: ok 792 # number of heavy atoms match
169: ok 793 # number of heavy atoms match
169: ok 794 # number of heavy atoms match
169: ok 795 # number of heavy atoms match
169: ok 796 # number of heavy atoms match
169: ok 797 # number of heavy atoms match
169: ok 798 # number of heavy atoms match
169: ok 799 # number of heavy atoms match
169: ok 800 # number of heavy atoms match
169: ok 801 # number of heavy atoms match
169: ok 802 # number of heavy atoms match
169: ok 803 # number of heavy atoms match
169: ok 804 # number of heavy atoms match
169: ok 805 # number of heavy atoms match
169: ok 806 # number of heavy atoms match
169: ok 807 # number of heavy atoms match
169: ok 808 # number of heavy atoms match
169: ok 809 # number of heavy atoms match
169: ok 810 # number of heavy atoms match
169: ok 811 # number of heavy atoms match
169: ok 812 # number of heavy atoms match
169: ok 813 # number of heavy atoms match
169: ok 814 # number of heavy atoms match
169: ok 815 # number of heavy atoms match
169: ok 816 # number of heavy atoms match
169: ok 817 # number of heavy atoms match
169: ok 818 # number of heavy atoms match
169: ok 819 # number of heavy atoms match
169: ok 820 # number of heavy atoms match
169: ok 821 # number of heavy atoms match
169: ok 822 # number of heavy atoms match
169: ok 823 # number of heavy atoms match
169: ok 824 # number of heavy atoms match
169: ok 825 # number of heavy atoms match
169: ok 826 # number of heavy atoms match
169: ok 827 # number of heavy atoms match
169: ok 828 # number of heavy atoms match
169: ok 829 # number of heavy atoms match
169: ok 830 # number of heavy atoms match
169: ok 831 # number of heavy atoms match
169: ok 832 # number of heavy atoms match
169: ok 833 # number of heavy atoms match
169: ok 834 # number of heavy atoms match
169: ok 835 # number of heavy atoms match
169: ok 836 # number of heavy atoms match
169: ok 837 # number of heavy atoms match
169: ok 838 # number of heavy atoms match
169: ok 839 # number of heavy atoms match
169: ok 840 # number of heavy atoms match
169: ok 841 # number of heavy atoms match
169: ok 842 # number of heavy atoms match
169: ok 843 # number of heavy atoms match
169: ok 844 # number of heavy atoms match
169: ok 845 # number of heavy atoms match
169: ok 846 # number of heavy atoms match
169: ok 847 # number of heavy atoms match
169: ok 848 # number of heavy atoms match
169: ok 849 # number of heavy atoms match
169: ok 850 # number of heavy atoms match
169: ok 851 # number of heavy atoms match
169: ok 852 # number of heavy atoms match
169: ok 853 # number of heavy atoms match
169: ok 854 # number of heavy atoms match
169: ok 855 # number of heavy atoms match
169: ok 856 # number of heavy atoms match
169: ok 857 # number of heavy atoms match
169: ok 858 # number of heavy atoms match
169: ok 859 # number of heavy atoms match
169: ok 860 # number of heavy atoms match
169: ok 861 # number of heavy atoms match
169: ok 862 # number of heavy atoms match
169: ok 863 # number of heavy atoms match
169: ok 864 # number of heavy atoms match
169: ok 865 # number of heavy atoms match
169: ok 866 # number of heavy atoms match
169: ok 867 # number of heavy atoms match
169: ok 868 # number of heavy atoms match
169: ok 869 # number of heavy atoms match
169: ok 870 # number of heavy atoms match
169: ok 871 # number of heavy atoms match
169: ok 872 # number of heavy atoms match
169: ok 873 # number of heavy atoms match
169: ok 874 # number of heavy atoms match
169: ok 875 # number of heavy atoms match
169: ok 876 # number of heavy atoms match
169: ok 877 # number of heavy atoms match
169: ok 878 # number of heavy atoms match
169: ok 879 # number of heavy atoms match
169: ok 880 # number of heavy atoms match
169: ok 881 # number of heavy atoms match
169: ok 882 # number of heavy atoms match
169: ok 883 # number of heavy atoms match
169: ok 884 # number of heavy atoms match
169: ok 885 # number of heavy atoms match
169: ok 886 # number of heavy atoms match
169: ok 887 # number of heavy atoms match
169: ok 888 # number of heavy atoms match
169: ok 889 # number of heavy atoms match
169: ok 890 # number of heavy atoms match
169: ok 891 # number of heavy atoms match
169: ok 892 # number of heavy atoms match
169: ok 893 # number of heavy atoms match
169: ok 894 # number of heavy atoms match
169: ok 895 # number of heavy atoms match
169: ok 896 # number of heavy atoms match
169: ok 897 # number of heavy atoms match
169: ok 898 # number of heavy atoms match
169: ok 899 # number of heavy atoms match
169: ok 900 # number of heavy atoms match
169: ok 901 # number of heavy atoms match
169: ok 902 # number of heavy atoms match
169: ok 903 # number of heavy atoms match
169: ok 904 # number of heavy atoms match
169: ok 905 # number of heavy atoms match
169: ok 906 # number of heavy atoms match
169: ok 907 # number of heavy atoms match
169: ok 908 # number of heavy atoms match
169: ok 909 # number of heavy atoms match
169: ok 910 # number of heavy atoms match
169: ok 911 # number of heavy atoms match
169: ok 912 # number of heavy atoms match
169: ok 913 # number of heavy atoms match
169: ok 914 # number of heavy atoms match
169: ok 915 # number of heavy atoms match
169: ok 916 # number of heavy atoms match
169: ok 917 # number of heavy atoms match
169: ok 918 # number of heavy atoms match
169: ok 919 # number of heavy atoms match
169: ok 920 # number of heavy atoms match
169: ok 921 # number of heavy atoms match
169: ok 922 # number of heavy atoms match
169: ok 923 # number of heavy atoms match
169: ok 924 # number of heavy atoms match
169: ok 925 # number of heavy atoms match
169: ok 926 # number of heavy atoms match
169: ok 927 # number of heavy atoms match
169: ok 928 # number of heavy atoms match
169: ok 929 # number of heavy atoms match
169: ok 930 # number of heavy atoms match
169: ok 931 # number of heavy atoms match
169: ok 932 # number of heavy atoms match
169: ok 933 # number of heavy atoms match
169: ok 934 # number of heavy atoms match
169: ok 935 # number of heavy atoms match
169: ok 936 # number of heavy atoms match
169: ok 937 # number of heavy atoms match
169: ok 938 # number of heavy atoms match
169: ok 939 # number of heavy atoms match
169: ok 940 # number of heavy atoms match
169: ok 941 # number of heavy atoms match
169: ok 942 # number of heavy atoms match
169: ok 943 # number of heavy atoms match
169: ok 944 # number of heavy atoms match
169: ok 945 # number of heavy atoms match
169: ok 946 # number of heavy atoms match
169: ok 947 # number of heavy atoms match
169: ok 948 # number of heavy atoms match
169: ok 949 # number of heavy atoms match
169: ok 950 # number of heavy atoms match
169: ok 951 # number of heavy atoms match
169: ok 952 # number of heavy atoms match
169: ok 953 # number of heavy atoms match
169: ok 954 # number of heavy atoms match
169: ok 955 # number of heavy atoms match
169: ok 956 # number of heavy atoms match
169: ok 957 # number of heavy atoms match
169: ok 958 # number of heavy atoms match
169: ok 959 # number of heavy atoms match
169: ok 960 # number of heavy atoms match
169: ok 961 # number of heavy atoms match
169: ok 962 # number of heavy atoms match
169: ok 963 # number of heavy atoms match
169: ok 964 # number of heavy atoms match
169: ok 965 # number of heavy atoms match
169: ok 966 # number of heavy atoms match
169: ok 967 # number of heavy atoms match
169: ok 968 # number of heavy atoms match
169: ok 969 # number of heavy atoms match
169: ok 970 # number of heavy atoms match
169: ok 971 # number of heavy atoms match
169: ok 972 # number of heavy atoms match
169: ok 973 # number of heavy atoms match
169: ok 974 # number of heavy atoms match
169: ok 975 # number of heavy atoms match
169: ok 976 # number of heavy atoms match
169: ok 977 # number of heavy atoms match
169: ok 978 # number of heavy atoms match
169: ok 979 # number of heavy atoms match
169: ok 980 # number of heavy atoms match
169: ok 981 # number of heavy atoms match
169: ok 982 # number of heavy atoms match
169: ok 983 # number of heavy atoms match
169: ok 984 # number of heavy atoms match
169: ok 985 # number of heavy atoms match
169: ok 986 # number of heavy atoms match
169: ok 987 # number of heavy atoms match
169: ok 988 # number of heavy atoms match
169: ok 989 # number of heavy atoms match
169: ok 990 # number of heavy atoms match
169: ok 991 # number of heavy atoms match
169: ok 992 # number of heavy atoms match
169: ok 993 # number of heavy atoms match
169: ok 994 # number of heavy atoms match
169: ok 995 # number of heavy atoms match
169: ok 996 # number of heavy atoms match
169: ok 997 # number of heavy atoms match
169: ok 998 # number of heavy atoms match
171: ok 1 # dipole
171: ok 2 # charge
171: ok 3 # charge
171: ok 4 # charge
171: ok 5 # charge
171: ok 6 # charge
171: ok 7 # charge
171: ok 8 # charge
171: ok 9 # charge
171: ok 10 # charge
171: ok 11 # charge
171: ok 12 # charge
171: ok 13 # charge
171: ok 14 # charge
171: ok 15 # charge
171: ok 16 # charge
171: ok 17 # charge
171: ok 18 # charge
171: ok 19 # charge
171: ok 20 # charge
171: ok 21 # charge
171: ok 22 # charge
171: ok 23 # charge
171: ok 24 # charge
171: ok 25 # charge
171: ok 26 # charge
171: ok 27 # charge
171: ok 28 # charge
171: ok 29 # charge
171: ok 30 # charge
171: ok 31 # charge
171: ok 32 # charge
171: ok 33 # charge
171: ok 34 # charge
171: ok 35 # charge
171: ok 36 # charge
171: ok 37 # charge
171: ok 38 # charge
171: ok 39 # charge
171: ok 40 # charge
171: ok 41 # dipole
171: ok 42 # charge
171: ok 43 # charge
171: ok 44 # charge
171: ok 45 # charge
171: ok 46 # charge
171: ok 47 # charge
171: ok 48 # charge
171: ok 49 # dipole
171: ok 50 # charge
171: ok 51 # charge
171: ok 52 # charge
171: ok 53 # charge
171: ok 54 # charge
171: ok 55 # charge
171: ok 56 # charge
171: ok 57 # charge
171: ok 58 # charge
171: ok 59 # dipole
171: ok 60 # charge
171: ok 61 # charge
171: ok 62 # charge
171: ok 63 # charge
171: ok 64 # charge
171: ok 65 # charge
171: ok 66 # charge
171: ok 67 # charge
171: ok 68 # dipole
171: ok 69 # charge
171: ok 70 # charge
171: ok 71 # charge
171: ok 72 # charge
171: ok 73 # charge
171: ok 74 # charge
171: ok 75 # charge
171: ok 76 # charge
171: ok 77 # charge
171: ok 78 # charge
171: ok 79 # charge
171: ok 80 # charge
171: ok 81 # charge
171: ok 82 # dipole
171: ok 83 # charge
171: ok 84 # charge
171: ok 85 # charge
171: ok 86 # charge
171: ok 87 # charge
171: ok 88 # charge
171: ok 89 # charge
171: ok 90 # charge
171: ok 91 # charge
171: ok 92 # charge
171: ok 93 # charge
171: ok 94 # charge
171: ok 95 # charge
171: ok 96 # dipole
171: ok 97 # charge
171: ok 98 # charge
171: ok 99 # charge
171: ok 100 # charge
171: ok 101 # charge
171: ok 102 # charge
171: ok 103 # charge
171: ok 104 # charge
171: ok 105 # charge
171: ok 106 # charge
171: ok 107 # charge
171: ok 108 # charge
171: ok 109 # charge
171: ok 110 # charge
171: ok 111 # charge
171: ok 112 # charge
171: ok 113 # charge
171: ok 114 # charge
171: ok 115 # charge
171: ok 116 # charge
171: ok 117 # charge
171: ok 118 # charge
171: ok 119 # charge
171: ok 120 # charge
171: ok 121 # charge
171: ok 122 # charge
171: ok 123 # charge
171: ok 124 # charge
171: ok 125 # charge
171: ok 126 # charge
171: ok 127 # charge
171: ok 128 # charge
171: ok 129 # charge
171: ok 130 # charge
171: ok 131 # charge
171: ok 132 # charge
171: ok 133 # charge
171: ok 134 # charge
171: ok 135 # charge
171: ok 136 # charge
171: ok 137 # charge
171: ok 138 # charge
171: ok 139 # charge
171: ok 140 # charge
171: ok 141 # charge
171: ok 142 # charge
171: ok 143 # charge
171: ok 144 # charge
171: ok 145 # charge
171: ok 146 # charge
171: ok 147 # charge
171: ok 148 # charge
171: ok 149 # charge
171: ok 150 # charge
171: ok 151 # charge
171: ok 152 # charge
171: ok 153 # charge
171: ok 154 # charge
171: ok 155 # charge
171: ok 156 # charge
171: ok 157 # charge
171: ok 158 # charge
171: ok 159 # charge
171: ok 160 # charge
171: ok 161 # charge
171: ok 162 # dipole
171: ok 163 # charge
171: ok 164 # charge
171: ok 165 # charge
171: ok 166 # charge
171: ok 167 # charge
171: ok 168 # charge
171: ok 169 # charge
171: ok 170 # charge
171: ok 171 # charge
171: ok 172 # charge
171: ok 173 # charge
171: ok 174 # charge
171: ok 175 # charge
171: ok 176 # charge
171: ok 177 # charge
171: ok 178 # charge
171: ok 179 # charge
171: ok 180 # charge
171: ok 181 # charge
171: ok 182 # charge
171: ok 183 # charge
171: ok 184 # charge
171: ok 185 # charge
171: ok 186 # charge
171: ok 187 # dipole
171: ok 188 # charge
171: ok 189 # charge
171: ok 190 # charge
171: ok 191 # charge
171: ok 192 # charge
171: ok 193 # charge
171: ok 194 # charge
171: ok 195 # charge
171: ok 196 # charge
171: ok 197 # charge
171: ok 198 # charge
171: ok 199 # charge
171: ok 200 # charge
171: ok 201 # charge
171: ok 202 # charge
171: ok 203 # charge
171: ok 204 # charge
171: ok 205 # charge
171: ok 206 # charge
171: ok 207 # charge
171: ok 208 # charge
171: ok 209 # charge
171: ok 210 # charge
171: ok 211 # charge
171: ok 212 # charge
171: ok 213 # charge
171: ok 214 # charge
171: ok 215 # charge
171: ok 216 # charge
171: ok 217 # charge
171: ok 218 # charge
171: ok 219 # charge
171: ok 220 # charge
171: ok 221 # charge
171: ok 222 # charge
171: ok 223 # charge
171: ok 224 # charge
171: ok 225 # charge
171: ok 226 # charge
171: ok 227 # charge
171: ok 228 # charge
171: ok 229 # charge
171: ok 230 # charge
171: ok 231 # charge
171: ok 232 # charge
171: ok 233 # charge
171: ok 234 # charge
171: ok 235 # charge
171: ok 236 # charge
171: ok 237 # charge
171: ok 238 # charge
171: ok 239 # charge
171: ok 240 # charge
171: ok 241 # charge
171: ok 242 # charge
171: ok 243 # charge
171: ok 244 # charge
171: ok 245 # charge
171: ok 246 # charge
171: ok 247 # charge
171: ok 248 # dipole
171: ok 249 # charge
171: ok 250 # charge
171: ok 251 # charge
171: ok 252 # charge
171: ok 253 # charge
171: ok 254 # charge
171: ok 255 # charge
171: ok 256 # charge
171: ok 257 # charge
171: ok 258 # charge
171: ok 259 # charge
171: ok 260 # charge
171: ok 261 # charge
171: ok 262 # charge
171: ok 263 # charge
171: ok 264 # charge
171: ok 265 # charge
171: ok 266 # charge
171: ok 267 # charge
171: ok 268 # charge
171: ok 269 # charge
171: ok 270 # charge
171: ok 271 # charge
171: ok 272 # charge
171: ok 273 # dipole
171: ok 274 # charge
171: ok 275 # charge
171: ok 276 # charge
171: ok 277 # charge
171: ok 278 # charge
171: ok 279 # charge
171: ok 280 # charge
171: ok 281 # charge
171: ok 282 # charge
171: ok 283 # charge
171: ok 284 # charge
171: ok 285 # charge
171: ok 286 # charge
171: ok 287 # charge
171: ok 288 # charge
171: ok 289 # charge
171: ok 290 # charge
171: ok 291 # charge
171: ok 292 # charge
171: ok 293 # charge
171: ok 294 # charge
171: ok 295 # charge
171: ok 296 # charge
171: ok 297 # charge
171: ok 298 # charge
171: ok 299 # charge
171: ok 300 # charge
171: ok 301 # charge
171: ok 302 # charge
171: ok 303 # charge
171: ok 304 # charge
171: ok 305 # charge
171: ok 306 # charge
171: ok 307 # charge
171: ok 308 # charge
171: ok 309 # charge
171: ok 310 # charge
171: ok 311 # charge
171: ok 312 # charge
171: ok 313 # charge
171: ok 314 # charge
171: ok 315 # charge
171: ok 316 # charge
171: ok 317 # charge
171: ok 318 # charge
171: ok 319 # charge
171: ok 320 # charge
171: ok 321 # charge
171: ok 322 # charge
171: ok 323 # charge
171: ok 324 # charge
171: ok 325 # charge
171: ok 326 # charge
171: ok 327 # charge
171: ok 328 # charge
171: ok 329 # charge
171: ok 330 # charge
171: ok 331 # charge
171: ok 332 # charge
171: ok 333 # charge
171: ok 334 # charge
171: ok 335 # charge
171: ok 336 # charge
171: ok 337 # charge
171: ok 338 # charge
171: ok 339 # charge
171: ok 340 # charge
171: ok 341 # charge
171: ok 342 # charge
171: ok 343 # charge
171: ok 344 # charge
171: ok 345 # charge
171: ok 346 # charge
171: ok 347 # charge
171: ok 348 # dipole
171: ok 349 # charge
171: ok 350 # charge
171: ok 351 # charge
171: ok 352 # charge
171: ok 353 # charge
171: ok 354 # charge
171: ok 355 # charge
171: ok 356 # charge
171: ok 357 # charge
171: ok 358 # charge
171: ok 359 # charge
171: ok 360 # charge
171: ok 361 # charge
171: ok 362 # charge
171: ok 363 # charge
171: ok 364 # charge
171: ok 365 # charge
171: ok 366 # charge
171: ok 367 # charge
171: ok 368 # charge
171: ok 369 # charge
171: ok 370 # charge
171: ok 371 # charge
171: ok 372 # charge
171: ok 373 # charge
171: ok 374 # charge
171: ok 375 # charge
171: ok 376 # charge
171: ok 377 # charge
171: ok 378 # charge
171: ok 379 # charge
171: ok 380 # charge
171: ok 381 # charge
171: ok 382 # charge
171: ok 383 # charge
171: ok 384 # charge
171: ok 385 # charge
171: ok 386 # charge
171: ok 387 # charge
171: ok 388 # charge
171: ok 389 # charge
171: ok 390 # charge
171: ok 391 # dipole
171: ok 392 # charge
171: ok 393 # charge
171: ok 394 # charge
171: ok 395 # charge
171: ok 396 # charge
171: ok 397 # charge
171: ok 398 # charge
171: ok 399 # charge
171: ok 400 # charge
171: ok 401 # charge
171: ok 402 # charge
171: ok 403 # charge
171: ok 404 # charge
171: ok 405 # charge
171: ok 406 # charge
171: ok 407 # charge
171: ok 408 # charge
171: ok 409 # charge
171: ok 410 # charge
171: ok 411 # charge
171: ok 412 # charge
171: ok 413 # charge
171: ok 414 # charge
171: ok 415 # charge
171: ok 416 # charge
171: ok 417 # charge
171: ok 418 # charge
171: ok 419 # charge
171: ok 420 # charge
171: ok 421 # charge
171: ok 422 # charge
171: ok 423 # charge
171: ok 424 # charge
171: ok 425 # charge
171: ok 426 # charge
171: ok 427 # charge
171: ok 428 # charge
171: ok 429 # dipole
171: ok 430 # charge
171: ok 431 # charge
171: ok 432 # charge
171: ok 433 # charge
171: ok 434 # charge
171: ok 435 # charge
171: ok 436 # charge
171: ok 437 # charge
171: ok 438 # charge
171: ok 439 # charge
171: ok 440 # charge
171: ok 441 # charge
171: ok 442 # charge
171: ok 443 # charge
171: ok 444 # charge
171: ok 445 # charge
171: ok 446 # charge
171: ok 447 # charge
171: ok 448 # charge
171: ok 449 # charge
171: ok 450 # charge
171: ok 451 # charge
171: ok 452 # charge
171: ok 453 # charge
171: ok 454 # charge
171: ok 455 # charge
171: ok 456 # charge
171: ok 457 # charge
171: ok 458 # charge
171: ok 459 # charge
171: ok 460 # charge
171: ok 461 # charge
171: ok 462 # charge
171: ok 463 # charge
171: ok 464 # charge
171: ok 465 # charge
171: ok 466 # charge
171: ok 467 # charge
171: ok 468 # charge
171: ok 469 # dipole
171: ok 470 # charge
171: ok 471 # charge
171: ok 472 # charge
171: ok 473 # charge
171: ok 474 # charge
171: ok 475 # charge
171: ok 476 # charge
171: ok 477 # charge
171: ok 478 # charge
171: ok 479 # charge
171: ok 480 # charge
171: ok 481 # charge
171: ok 482 # charge
171: ok 483 # charge
171: ok 484 # charge
171: ok 485 # charge
171: ok 486 # charge
171: ok 487 # charge
171: ok 488 # charge
171: ok 489 # charge
171: ok 490 # charge
171: ok 491 # charge
171: ok 492 # charge
171: ok 493 # charge
171: ok 494 # charge
171: ok 495 # charge
171: ok 496 # charge
171: ok 497 # charge
171: ok 498 # charge
171: ok 499 # charge
171: ok 500 # charge
171: ok 501 # charge
171: ok 502 # charge
171: ok 503 # dipole
171: ok 504 # charge
171: ok 505 # charge
171: ok 506 # charge
171: ok 507 # charge
171: ok 508 # charge
171: ok 509 # charge
171: ok 510 # charge
171: ok 511 # charge
171: ok 512 # charge
171: ok 513 # charge
171: ok 514 # charge
171: ok 515 # charge
171: ok 516 # charge
171: ok 517 # charge
171: ok 518 # charge
171: ok 519 # charge
171: ok 520 # charge
171: ok 521 # charge
171: ok 522 # charge
171: ok 523 # charge
171: ok 524 # charge
171: ok 525 # charge
171: ok 526 # charge
171: ok 527 # charge
171: ok 528 # charge
171: ok 529 # charge
171: ok 530 # charge
171: ok 531 # charge
171: ok 532 # charge
171: ok 533 # charge
171: ok 534 # charge
171: ok 535 # dipole
171: ok 536 # charge
171: ok 537 # charge
171: ok 538 # charge
171: ok 539 # charge
171: ok 540 # charge
171: ok 541 # charge
171: ok 542 # charge
171: ok 543 # charge
171: ok 544 # charge
171: ok 545 # charge
171: ok 546 # charge
171: ok 547 # charge
171: ok 548 # charge
171: ok 549 # charge
171: ok 550 # charge
171: ok 551 # charge
171: ok 552 # charge
171: ok 553 # charge
171: ok 554 # charge
171: ok 555 # charge
171: ok 556 # charge
171: ok 557 # charge
171: ok 558 # charge
171: ok 559 # charge
171: ok 560 # charge
171: ok 561 # charge
171: ok 562 # charge
171: ok 563 # dipole
171: ok 564 # charge
171: ok 565 # charge
171: ok 566 # charge
171: ok 567 # charge
171: ok 568 # charge
171: ok 569 # charge
171: ok 570 # charge
171: ok 571 # charge
171: ok 572 # charge
171: ok 573 # charge
171: ok 574 # charge
171: ok 575 # charge
171: ok 576 # charge
171: ok 577 # charge
171: ok 578 # charge
171: ok 579 # charge
171: ok 580 # charge
171: ok 581 # charge
171: ok 582 # charge
171: ok 583 # charge
171: ok 584 # charge
171: ok 585 # charge
171: ok 586 # charge
171: ok 587 # charge
171: ok 588 # charge
171: ok 589 # charge
171: ok 590 # charge
171: ok 591 # charge
171: ok 592 # charge
171: ok 593 # charge
171: ok 594 # charge
171: ok 595 # charge
171: ok 596 # charge
171: ok 597 # charge
171: ok 598 # charge
171: ok 599 # charge
171: ok 600 # charge
171: ok 601 # charge
171: ok 602 # charge
171: ok 603 # charge
171: ok 604 # charge
171: ok 605 # charge
171: ok 606 # charge
171: ok 607 # charge
171: ok 608 # charge
171: ok 609 # charge
171: ok 610 # charge
171: ok 611 # charge
171: ok 612 # charge
171: ok 613 # charge
171: ok 614 # charge
171: ok 615 # charge
171: ok 616 # charge
171: ok 617 # charge
171: ok 618 # charge
171: ok 619 # charge
171: ok 620 # charge
171: ok 621 # charge
171: ok 622 # charge
171: ok 623 # charge
171: ok 624 # charge
171: ok 625 # charge
171: ok 626 # charge
170/223 Test #171: test_charge_gasteiger_1 ..........   Passed    0.09 sec
test 172
        Start 172: test_datatest_1

172: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "datatest" "1"
172: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
172: Environment variables: 
172:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
172:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
172: Test timeout computed to be: 1500
172: # Unit tests for data tables 
172: 1..2
172: ok 1
172: ok 2
171/223 Test #172: test_datatest_1 ..................   Passed    0.01 sec
test 173
        Start 173: test_ffgaff_1

173: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ffgaff" "1"
173: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
173: Environment variables: 
173:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
173:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
173: Test timeout computed to be: 1500
173: # Testing GAFF Force Field...
169: ok 999 # number of heavy atoms match
169: ok 1000 # number of heavy atoms match
169: ok 1001 # number of heavy atoms match
169: ok 1002 # number of heavy atoms match
169: ok 1003 # number of heavy atoms match
169: ok 1004 # number of heavy atoms match
169: ok 1005 # number of heavy atoms match
172/223 Test #169: test_cansmi_1 ....................   Passed    0.33 sec
test 174
        Start 174: test_ffghemical_1

174: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ffghemical" "1"
174: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
174: Environment variables: 
174:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
174:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
174: Test timeout computed to be: 1500
174: # Testing Ghemical Force Field...
173: ok 1 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (102.152, -13.405,  11.295)  (102.186, -13.368,  11.304)  ( 0.03,  0.27,  0.08)
173:     bond    ( 65.430,  20.212,  18.860)  ( 65.454,  20.239,  18.862)  ( 0.04,  0.13,  0.01)
173:     angle   ( 64.222, -43.610,   6.621)  ( 64.231, -43.601,   6.623)  ( 0.01,  0.02,  0.03)
173:     torsion (  2.285,   1.864,  -9.889)  (  2.285,   1.864,  -9.885)  ( 0.01,  0.01,  0.04)
173:     oop     (  0.189,   0.204,  -0.875)  (  0.189,   0.204,  -0.875)  ( 0.00,  0.00,  0.04)
173:     vdw     (-29.752,   8.101,  -3.444)  (-29.752,   8.101,  -3.444)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.221,  -0.175,   0.022)  ( -0.221,  -0.175,   0.022)  ( 0.00,  0.00,  0.00)
173:  2       (-25.215,  10.780,  89.099)  (-25.178,  10.817,  89.109)  ( 0.15,  0.34,  0.01)
173:     bond    ( 34.767, -49.738,   0.175)  ( 34.796, -49.714,   0.179)  ( 0.08,  0.05,  0.05)
173:     angle   (-51.090,  50.603,  44.964)  (-51.083,  50.614,  44.966)  ( 0.02,  0.02,  0.00)
173:     torsion ( -1.548,  -4.298,  27.297)  ( -1.548,  -4.297,  27.301)  ( 0.01,  0.00,  0.02)
173:     oop     ( -0.242,  -0.222,   0.947)  ( -0.242,  -0.222,   0.947)  ( 0.00,  0.00,  0.01)
173:     vdw     ( -7.740,  18.047,  15.318)  ( -7.740,  18.048,  15.318)  ( 0.00,  0.01,  0.00)
173:     electro (  0.639,  -3.612,   0.399)  (  0.639,  -3.612,   0.399)  ( 0.00,  0.00,  0.00)
173:  3       (-83.042, -36.318, -41.768)  (-83.007, -36.282, -41.759)  ( 0.04,  0.10,  0.02)
173:     bond    (-76.007, -41.054, -29.725)  (-75.982, -41.028, -29.723)  ( 0.03,  0.07,  0.01)
173:     angle   (-38.446, -15.726,  -3.780)  (-38.436, -15.717,  -3.778)  ( 0.02,  0.06,  0.06)
173:     torsion (  5.065,   4.006, -19.830)  (  5.065,   4.006, -19.826)  ( 0.01,  0.00,  0.02)
173:     oop     (  0.501,   0.462,  -1.986)  (  0.501,   0.462,  -1.986)  ( 0.00,  0.00,  0.02)
173:     vdw     ( 25.385,  16.189,  13.419)  ( 25.385,  16.190,  13.419)  ( 0.00,  0.00,  0.00)
173:     electro (  0.460,  -0.195,   0.134)  (  0.460,  -0.195,   0.134)  ( 0.00,  0.00,  0.00)
173:  4       (-42.844, -11.172, -19.259)  (-42.811, -11.135, -19.250)  ( 0.08,  0.33,  0.05)
173:     bond    (-90.014,  22.518, -18.593)  (-89.992,  22.547, -18.589)  ( 0.02,  0.13,  0.02)
173:     angle   ( 16.795, -23.416,  -0.140)  ( 16.805, -23.409,  -0.139)  ( 0.06,  0.03,  0.02)
173:     torsion (  2.668,   4.258,  -3.869)  (  2.669,   4.258,  -3.865)  ( 0.01,  0.01,  0.10)
173:     oop     ( -0.169,  -0.157,   0.678)  ( -0.169,  -0.157,   0.678)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 26.874, -14.207,   2.581)  ( 26.875, -14.207,   2.581)  ( 0.00,  0.00,  0.00)
173:     electro (  1.002,  -0.167,   0.084)  (  1.002,  -0.167,   0.084)  ( 0.00,  0.00,  0.00)
173:  5       ( -1.994,  38.051,  22.985)  ( -1.964,  38.071,  22.992)  ( 1.50,  0.05,  0.03)
173:     bond    ( 11.228,  60.887,  19.043)  ( 11.255,  60.898,  19.046)  ( 0.25,  0.02,  0.02)
173:     angle   ( -4.676,   9.306,   0.092)  ( -4.674,   9.314,   0.093)  ( 0.04,  0.09,  0.00)
173:     torsion ( -3.291,  -3.459,  13.086)  ( -3.290,  -3.459,  13.089)  ( 0.01,  0.01,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.357, -25.900,  -8.663)  ( -5.357, -25.899,  -8.663)  ( 0.01,  0.00,  0.00)
173:     electro (  0.102,  -2.783,  -0.572)  (  0.102,  -2.783,  -0.572)  ( 0.00,  0.00,  0.00)
173:  6       ( -4.575, -67.943, -17.081)  ( -4.541, -67.907, -17.072)  ( 0.76,  0.05,  0.05)
173:     bond    ( 45.081, -31.332,   3.011)  ( 45.106, -31.304,   3.013)  ( 0.05,  0.09,  0.08)
173:     angle   (-31.327, -14.947,  -9.606)  (-31.318, -14.939,  -9.605)  ( 0.03,  0.05,  0.01)
173:     torsion (  0.284,   0.309,  -0.353)  (  0.285,   0.309,  -0.348)  ( 0.01,  0.01,  0.17)
173:     oop     ( -0.064,  -0.069,   0.294)  ( -0.064,  -0.069,   0.294)  ( 0.00,  0.00,  0.00)
173:     vdw     (-18.405, -22.065, -10.583)  (-18.404, -22.064, -10.583)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.145,   0.160,   0.156)  ( -0.145,   0.160,   0.156)  ( 0.00,  0.00,  0.00)
173:  7       ( 36.833, -39.537,  19.970)  ( 36.859, -39.512,  19.992)  ( 0.07,  0.06,  0.11)
173:     bond    ( 32.571, -25.330,  -0.204)  ( 32.588, -25.312,  -0.188)  ( 0.05,  0.07,  0.33)
173:     angle   (  4.414,  -0.479,  25.826)  (  4.421,  -0.472,  25.832)  ( 0.18,  0.32,  0.02)
173:     torsion (  0.416,   2.210,  -1.047)  (  0.417,   2.211,  -1.046)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.704, -15.258,  -4.685)  ( -0.704, -15.258,  -4.685)  ( 0.00,  0.00,  0.00)
173:     electro (  0.137,  -0.680,   0.080)  (  0.137,  -0.680,   0.080)  ( 0.00,  0.00,  0.00)
173:  8       ( 21.971, -40.328, -61.277)  ( 21.978, -40.307, -61.265)  ( 0.03,  0.05,  0.02)
173:     bond    ( -5.929, -10.019,  18.365)  ( -5.928, -10.000,  18.373)  ( 0.02,  0.19,  0.05)
173:     angle   ( 46.107, -45.206, -72.265)  ( 46.112, -45.204, -72.261)  ( 0.01,  0.00,  0.00)
173:     torsion ( -8.013,  -0.359,  -6.006)  ( -8.014,  -0.359,  -6.005)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -8.589,  14.436,  -2.931)  ( -8.588,  14.436,  -2.931)  ( 0.01,  0.00,  0.00)
173:     electro ( -1.604,   0.820,   1.559)  ( -1.604,   0.820,   1.559)  ( 0.00,  0.00,  0.00)
173:  9       ( -8.675, 118.199, -17.422)  ( -8.650, 118.226, -17.396)  ( 0.29,  0.02,  0.15)
173:     bond    (  8.295,  10.899, -26.302)  (  8.313,  10.916, -26.283)  ( 0.22,  0.16,  0.07)
173:     angle   (-17.304,  94.705,  14.018)  (-17.297,  94.714,  14.026)  ( 0.04,  0.01,  0.06)
173:     torsion (  3.994,  -0.046,   1.165)  (  3.994,  -0.046,   1.165)  ( 0.01,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.911,  12.378,  -5.954)  ( -3.910,  12.379,  -5.954)  ( 0.00,  0.00,  0.00)
173:     electro (  0.250,   0.263,  -0.349)  (  0.250,   0.263,  -0.349)  ( 0.00,  0.00,  0.00)
173: 10       ( 58.847,  35.904,  35.967)  ( 58.875,  35.931,  35.993)  ( 0.05,  0.08,  0.07)
173:     bond    ( 21.967,  25.002,   8.944)  ( 21.986,  25.020,   8.963)  ( 0.08,  0.07,  0.21)
173:     angle   ( 24.422,   6.592,  14.649)  ( 24.431,   6.601,  14.655)  ( 0.03,  0.13,  0.04)
173:     torsion ( -1.003,  -0.914,   4.217)  ( -1.003,  -0.914,   4.217)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.150,  -0.150,   0.657)  ( -0.150,  -0.150,   0.657)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.392,   5.370,   7.463)  ( 13.393,   5.371,   7.463)  ( 0.00,  0.01,  0.00)
173:     electro (  0.218,   0.004,   0.037)  (  0.218,   0.004,   0.037)  ( 0.00,  0.00,  0.00)
173: 11       (-73.816,  15.491,  -8.358)  (-73.788,  15.518,  -8.332)  ( 0.04,  0.18,  0.31)
173:     bond    (-49.401,  16.876,  -5.239)  (-49.382,  16.894,  -5.220)  ( 0.04,  0.11,  0.36)
173:     angle   (-11.770,   5.854,   2.961)  (-11.762,   5.863,   2.968)  ( 0.07,  0.15,  0.22)
173:     torsion (  0.420,   0.413,  -1.922)  (  0.420,   0.413,  -1.921)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.065,  -0.067,   0.286)  ( -0.065,  -0.067,   0.286)  ( 0.00,  0.00,  0.00)
173:     vdw     (-12.585,  -7.315,  -3.895)  (-12.585,  -7.314,  -3.895)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.415,  -0.270,  -0.549)  ( -0.415,  -0.270,  -0.549)  ( 0.00,  0.00,  0.00)
173: 12       (-206.624, -89.261,  -8.571)  (-206.581, -89.223,  -8.564)  ( 0.02,  0.04,  0.08)
173:     bond    (-70.340,  34.087, -12.502)  (-70.305,  34.112, -12.501)  ( 0.05,  0.07,  0.01)
173:     angle   (-122.367, -156.953,   9.517)  (-122.358, -156.940,   9.516)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.121,   0.153,   0.978)  ( -0.121,   0.154,   0.984)  ( 0.00,  0.00,  0.58)
173:     oop     (  0.003,  -0.005,  -0.029)  (  0.003,  -0.005,  -0.029)  ( 0.00,  0.00,  0.00)
173:     vdw     (-13.551,  32.310,  -6.205)  (-13.551,  32.310,  -6.205)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.249,   1.146,  -0.329)  ( -0.249,   1.146,  -0.329)  ( 0.00,  0.00,  0.00)
173: 13       (-31.232, -39.660,   2.568)  (-31.196, -39.624,   2.575)  ( 0.12,  0.09,  0.29)
173:     bond    ( 14.492, -68.239,  12.073)  ( 14.520, -68.213,  12.074)  ( 0.19,  0.04,  0.01)
173:     angle   (-55.628,  15.059,  -8.063)  (-55.620,  15.068,  -8.063)  ( 0.02,  0.06,  0.00)
173:     torsion (  0.060,  -0.095,  -0.580)  (  0.060,  -0.095,  -0.574)  ( 0.00,  0.00,  0.34)
173:     oop     ( -0.011,   0.016,   0.103)  ( -0.011,   0.016,   0.104)  ( 0.00,  0.00,  0.01)
173:     vdw     ( 10.146,  13.486,  -0.949)  ( 10.146,  13.486,  -0.949)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.291,   0.114,  -0.015)  ( -0.291,   0.114,  -0.015)  ( 0.00,  0.00,  0.00)
173: 14       ( 16.764,  -3.594,   1.930)  ( 16.799,  -3.556,   1.938)  ( 0.21,  1.04,  0.42)
173:     bond    (-72.072, -22.005,  -4.451)  (-72.048, -21.975,  -4.449)  ( 0.03,  0.14,  0.04)
173:     angle   ( 55.376,  21.622,   2.672)  ( 55.386,  21.630,   2.672)  ( 0.02,  0.03,  0.01)
173:     torsion (  0.028,  -0.040,  -0.269)  (  0.028,  -0.040,  -0.263)  ( 0.00,  0.00,  0.15)
173:     oop     (  0.008,  -0.012,  -0.076)  (  0.008,  -0.012,  -0.075)  ( 0.00,  0.00,  0.01)
173:     vdw     ( 33.453,  -3.053,   4.002)  ( 33.454,  -3.053,   4.002)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.029,  -0.106,   0.051)  ( -0.029,  -0.106,   0.051)  ( 0.00,  0.00,  0.00)
173: 15       (  8.467, -15.615,   2.941)  (  8.505, -15.580,   2.949)  ( 0.44,  0.22,  0.27)
173:     bond    ( -2.650,  74.579, -11.566)  ( -2.621,  74.604, -11.565)  ( 1.11,  0.03,  0.01)
173:     angle   ( -2.162, -58.460,   8.600)  ( -2.154, -58.451,   8.601)  ( 0.36,  0.02,  0.00)
173:     torsion (  0.050,  -0.070,  -0.477)  (  0.050,  -0.070,  -0.471)  ( 0.00,  0.00,  0.26)
173:     oop     ( -0.005,   0.008,   0.050)  ( -0.005,   0.008,   0.051)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 12.804, -31.465,   6.212)  ( 12.805, -31.464,   6.211)  ( 0.00,  0.00,  0.00)
173:     electro (  0.430,  -0.207,   0.121)  (  0.430,  -0.207,   0.121)  ( 0.00,  0.00,  0.00)
173: 16       ( 63.763,  54.797,  -0.993)  ( 63.799,  54.833,  -0.985)  ( 0.06,  0.06,  0.79)
173:     bond    ( 71.764,  10.866,   5.920)  ( 71.791,  10.892,   5.922)  ( 0.04,  0.24,  0.02)
173:     angle   (  1.899,  57.441,  -7.724)  (  1.908,  57.450,  -7.724)  ( 0.47,  0.02,  0.00)
173:     torsion (  0.025,  -0.072,  -0.434)  (  0.025,  -0.072,  -0.428)  ( 0.00,  0.00,  0.26)
173:     oop     ( -0.014,   0.020,   0.131)  ( -0.014,   0.020,   0.131)  ( 0.00,  0.00,  0.01)
173:     vdw     ( -9.891, -13.625,   1.091)  ( -9.891, -13.625,   1.091)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.021,   0.167,   0.022)  ( -0.021,   0.167,   0.022)  ( 0.00,  0.00,  0.00)
173: 17       (-104.398, 269.781, -48.554)  (-104.358, 269.821, -48.545)  ( 0.04,  0.01,  0.02)
173:     bond    (-121.876,  77.612, -22.958)  (-121.848,  77.645, -22.956)  ( 0.02,  0.04,  0.01)
173:     angle   ( 52.475, 188.373, -23.225)  ( 52.487, 188.380, -23.225)  ( 0.02,  0.00,  0.00)
173:     torsion ( -0.147,   0.296,   1.932)  ( -0.147,   0.296,   1.938)  ( 0.00,  0.00,  0.34)
173:     oop     (  0.005,  -0.007,  -0.048)  (  0.005,  -0.007,  -0.048)  ( 0.00,  0.00,  0.00)
173:     vdw     (-34.504,   3.961,  -4.024)  (-34.504,   3.961,  -4.024)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.351,  -0.454,  -0.231)  ( -0.351,  -0.454,  -0.231)  ( 0.00,  0.00,  0.00)
173: 18       (266.899,  64.087,  16.746)  (266.934,  64.124,  16.749)  ( 0.01,  0.06,  0.02)
173:     bond    (132.317,  -0.927,  13.697)  (132.343,  -0.898,  13.698)  ( 0.02,  2.68,  0.01)
173:     angle   (102.842, 120.385,  -6.104)  (102.851, 120.393,  -6.104)  ( 0.01,  0.01,  0.01)
173:     torsion ( -0.378,   0.601,   4.209)  ( -0.378,   0.601,   4.211)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 28.720, -49.200,   2.599)  ( 28.720, -49.199,   2.599)  ( 0.00,  0.00,  0.00)
173:     electro (  3.398,  -6.773,   2.345)  (  3.398,  -6.773,   2.345)  ( 0.00,  0.00,  0.00)
173: 19       (-1538.742, 1188.788, -276.653)  (-1538.710, 1188.828, -276.640)  ( 0.00,  0.00,  0.00)
173:     bond    (-1545.879, 1191.431, -274.504)  (-1545.847, 1191.469, -274.493)  ( 0.00,  0.00,  0.00)
173:     angle   (  1.487,  -4.525,  -0.024)  (  1.487,  -4.523,  -0.023)  ( 0.01,  0.05,  0.00)
173:     torsion (  2.548,   2.036,   1.544)  (  2.548,   2.036,   1.545)  ( 0.00,  0.00,  0.07)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.143,  -0.004,  -2.932)  (  4.144,  -0.004,  -2.932)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.041,  -0.150,  -0.737)  ( -1.041,  -0.150,  -0.737)  ( 0.00,  0.00,  0.00)
173: 20       ( 86.436, 706.025, -101.088)  ( 86.458, 706.051, -101.081)  ( 0.03,  0.00,  0.01)
173:     bond    (151.196, 878.960, -118.276)  (151.217, 878.983, -118.271)  ( 0.01,  0.00,  0.00)
173:     angle   (-67.603, -173.081,  19.919)  (-67.602, -173.079,  19.919)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.274,  -0.460,  -3.000)  (  0.274,  -0.460,  -2.998)  ( 0.00,  0.00,  0.06)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.533,  -0.331,  -1.224)  (  1.533,  -0.331,  -1.224)  ( 0.00,  0.00,  0.00)
173:     electro (  1.035,   0.938,   1.494)  (  1.035,   0.938,   1.494)  ( 0.00,  0.00,  0.00)
173: 21       (1495.435, -2134.121, 408.407)  (1495.458, -2134.091, 408.423)  ( 0.00,  0.00,  0.00)
173:     bond    (1489.384, -2120.756, 422.184)  (1489.406, -2120.728, 422.199)  ( 0.00,  0.00,  0.00)
173:     angle   (  4.342,  -5.879, -12.450)  (  4.342,  -5.877, -12.449)  ( 0.01,  0.02,  0.01)
173:     torsion (  1.876,  -6.333,   0.144)  (  1.876,  -6.333,   0.145)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.735,  -1.231,  -1.506)  (  2.735,  -1.231,  -1.506)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.902,   0.078,   0.035)  ( -2.902,   0.078,   0.035)  ( 0.00,  0.00,  0.00)
173: 22       (-51.923,  27.002,   1.657)  (-51.916,  27.014,   1.659)  ( 0.01,  0.05,  0.06)
173:     bond    (-20.900, -26.742,  -4.766)  (-20.893, -26.730,  -4.766)  ( 0.03,  0.04,  0.01)
173:     angle   ( -5.057,   1.912,  11.443)  ( -5.057,   1.912,  11.444)  ( 0.00,  0.00,  0.01)
173:     torsion ( -3.586,   3.178,  -2.103)  ( -3.586,   3.178,  -2.103)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-31.069,  49.001,  -3.748)  (-31.068,  49.002,  -3.748)  ( 0.00,  0.00,  0.00)
173:     electro (  8.688,  -0.348,   0.831)  (  8.688,  -0.348,   0.831)  ( 0.00,  0.00,  0.00)
173: 23       ( -3.878,   2.588,  -1.893)  ( -3.870,   2.596,  -1.891)  ( 0.23,  0.31,  0.13)
173:     bond    ( -0.574,  -0.525,  -0.252)  ( -0.566,  -0.519,  -0.250)  ( 0.40,  0.31,  0.03)
173:     angle   ( -5.635,   6.083,   0.123)  ( -5.633,   6.085,   0.123)  ( 0.03,  0.03,  0.00)
173:     torsion (  0.329,   0.326,  -1.421)  (  0.329,   0.326,  -1.420)  ( 0.00,  0.00,  0.07)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.425,  -3.472,  -0.465)  (  2.425,  -3.472,  -0.465)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.424,   0.176,   0.122)  ( -0.424,   0.176,   0.122)  ( 0.00,  0.00,  0.00)
173: 24       (  7.995,   5.188,  -8.011)  (  7.998,   5.202,  -8.008)  ( 0.04,  0.26,  0.03)
173:     bond    (  1.778,   9.862,  -1.175)  (  1.779,   9.875,  -1.175)  ( 0.03,  0.14,  0.02)
173:     angle   (  5.650,  -2.229, -10.182)  (  5.652,  -2.229, -10.180)  ( 0.04,  0.01,  0.02)
173:     torsion ( -3.745,   0.362,  -2.628)  ( -3.745,   0.362,  -2.628)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.871,  -2.924,   6.832)  (  3.871,  -2.924,   6.832)  ( 0.01,  0.00,  0.00)
173:     electro (  0.441,   0.118,  -0.859)  (  0.441,   0.118,  -0.859)  ( 0.00,  0.00,  0.00)
173: 25       (  3.805,   6.261,  -9.494)  (  3.810,   6.265,  -9.483)  ( 0.15,  0.06,  0.11)
173:     bond    ( -0.049,  -0.029,  -0.085)  ( -0.046,  -0.027,  -0.075)  ( 0.02,  0.00,  0.08)
173:     angle   ( -0.551,  24.710,  -8.633)  ( -0.549,  24.712,  -8.632)  ( 0.12,  0.01,  0.01)
173:     torsion (  1.574,  -4.084,   0.532)  (  1.574,  -4.084,   0.532)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.456, -13.791,  -0.063)  (  2.456, -13.791,  -0.063)  ( 0.00,  0.00,  0.00)
173:     electro (  0.375,  -0.545,  -1.244)  (  0.375,  -0.545,  -1.244)  ( 0.00,  0.00,  0.00)
173: 26       ( -4.871, -15.773,  15.087)  ( -4.869, -15.767,  15.097)  ( 0.05,  0.04,  0.07)
173:     bond    ( -2.603,   5.540,   8.677)  ( -2.602,   5.544,   8.687)  ( 0.03,  0.07,  0.11)
173:     angle   ( -3.041, -32.251,  19.671)  ( -3.039, -32.249,  19.672)  ( 0.06,  0.01,  0.00)
173:     torsion ( -1.919,   0.000,  -0.575)  ( -1.919,   0.000,  -0.575)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.187,  10.150, -11.492)  (  2.187,  10.150, -11.491)  ( 0.00,  0.00,  0.00)
173:     electro (  0.505,   0.787,  -1.195)  (  0.505,   0.787,  -1.195)  ( 0.00,  0.00,  0.00)
173: 27       (  1.735,  -0.888,   2.081)  (  1.744,  -0.882,   2.084)  ( 0.55,  0.54,  0.14)
173:     bond    (  2.163,  -1.595,   0.593)  (  2.172,  -1.591,   0.594)  ( 0.40,  0.29,  0.04)
173:     angle   ( -1.176,  -1.400,   0.551)  ( -1.175,  -1.398,   0.553)  ( 0.07,  0.10,  0.13)
173:     torsion (  0.730,   1.478,   1.289)  (  0.730,   1.478,   1.289)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.029,  -0.328,   0.071)  ( -0.029,  -0.328,   0.071)  ( 0.00,  0.00,  0.00)
173:     electro (  0.046,   0.956,  -0.422)  (  0.046,   0.956,  -0.422)  ( 0.00,  0.00,  0.00)
173: 28       (  0.954,  -5.346,  -0.633)  (  0.963,  -5.340,  -0.630)  ( 0.87,  0.12,  0.21)
173:     bond    ( -2.542,  -1.968,  -0.836)  ( -2.534,  -1.963,  -0.835)  ( 0.32,  0.25,  0.08)
173:     angle   (  2.418,  -3.758,   1.489)  (  2.418,  -3.757,   1.492)  ( 0.04,  0.04,  0.16)
173:     torsion (  0.984,  -1.067,  -0.477)  (  0.984,  -1.067,  -0.477)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.212,   0.467,  -0.324)  ( -0.212,   0.467,  -0.324)  ( 0.00,  0.00,  0.00)
173:     electro (  0.307,   0.980,  -0.486)  (  0.307,   0.980,  -0.486)  ( 0.00,  0.00,  0.00)
173: 29       ( -2.244,   1.339,  -9.097)  ( -2.236,   1.344,  -9.091)  ( 0.34,  0.43,  0.06)
173:     bond    ( -1.127,   0.796,  -0.929)  ( -1.120,   0.799,  -0.925)  ( 0.57,  0.26,  0.41)
173:     angle   ( -2.303, -19.066, -13.691)  ( -2.302, -19.064, -13.690)  ( 0.05,  0.01,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.469,  18.917,   5.895)  (  1.469,  18.918,   5.895)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.283,   0.691,  -0.371)  ( -0.283,   0.691,  -0.371)  ( 0.00,  0.00,  0.00)
173: 30       (  0.093,  -0.960,   8.322)  (  0.098,  -0.956,   8.332)  ( 0.05,  0.39,  0.12)
173:     bond    ( -3.132,  -2.734,   5.362)  ( -3.129,  -2.732,   5.371)  ( 0.10,  0.08,  0.17)
173:     angle   (  3.096,   1.352,   2.493)  (  3.098,   1.354,   2.493)  ( 0.06,  0.13,  0.04)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.323,   0.789,   0.324)  (  0.323,   0.789,   0.324)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.194,  -0.368,   0.143)  ( -0.194,  -0.368,   0.143)  ( 0.00,  0.00,  0.00)
173: 31       (  1.164,  -3.174,  -9.797)  (  1.168,  -3.165,  -9.791)  ( 0.37,  0.27,  0.06)
173:     bond    (  2.928,  -6.193,  -4.835)  (  2.929,  -6.186,  -4.831)  ( 0.06,  0.12,  0.10)
173:     angle   (-14.636,   2.588, -12.191)  (-14.634,   2.589, -12.190)  ( 0.01,  0.04,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 14.644,   0.498,   7.769)  ( 14.645,   0.498,   7.769)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.773,  -0.066,  -0.540)  ( -1.773,  -0.066,  -0.540)  ( 0.00,  0.00,  0.00)
173: 32       (  8.966,   3.718,  -1.249)  (  8.973,   3.727,  -1.247)  ( 0.08,  0.24,  0.18)
173:     bond    (  5.952,   6.761,   1.241)  (  5.959,   6.769,   1.242)  ( 0.10,  0.12,  0.02)
173:     angle   (  9.189,  -7.564,  -2.877)  (  9.190,  -7.563,  -2.875)  ( 0.01,  0.01,  0.07)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.465,   3.912,   0.042)  ( -6.465,   3.912,   0.042)  ( 0.00,  0.00,  0.00)
173:     electro (  0.289,   0.609,   0.344)  (  0.289,   0.609,   0.344)  ( 0.00,  0.00,  0.00)
173: 33       (  4.858,   2.418,  -8.841)  (  4.862,   2.423,  -8.831)  ( 0.07,  0.22,  0.11)
173:     bond    (  2.541,  -4.385,  -6.934)  (  2.542,  -4.381,  -6.924)  ( 0.05,  0.08,  0.13)
173:     angle   (  6.028,   7.272,  -2.389)  (  6.030,   7.274,  -2.388)  ( 0.03,  0.02,  0.03)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.260,  -1.149,   0.216)  ( -5.260,  -1.149,   0.216)  ( 0.00,  0.00,  0.00)
173:     electro (  1.549,   0.680,   0.265)  (  1.549,   0.680,   0.265)  ( 0.00,  0.00,  0.00)
173: 34       ( -0.628,   0.434,   8.528)  ( -0.625,   0.440,   8.538)  ( 0.16,  0.28,  0.11)
173:     bond    (  0.251,  -3.966,   5.301)  (  0.251,  -3.961,   5.311)  ( 0.00,  0.13,  0.17)
173:     angle   (  0.170,   4.417,   3.287)  (  0.173,   4.419,   3.287)  ( 0.04,  0.03,  0.02)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.706,  -0.232,  -1.036)  ( -1.706,  -0.232,  -1.036)  ( 0.00,  0.00,  0.00)
173:     electro (  0.657,   0.214,   0.976)  (  0.657,   0.214,   0.976)  ( 0.00,  0.00,  0.00)
173: 35       (  8.248,   6.901,  -0.584)  (  8.255,   6.911,  -0.583)  ( 0.09,  0.15,  0.09)
173:     bond    (  5.924,   8.036,  -0.594)  (  5.929,   8.045,  -0.594)  ( 0.08,  0.12,  0.00)
173:     angle   (  1.921,  -1.386,   0.451)  (  1.924,  -1.384,   0.451)  ( 0.12,  0.08,  0.00)
173:     torsion (  0.038,  -0.054,  -0.357)  (  0.038,  -0.054,  -0.355)  ( 0.00,  0.00,  0.05)
173:     oop     (  0.004,  -0.006,  -0.040)  (  0.004,  -0.006,  -0.040)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.584,   0.227,   0.036)  (  0.584,   0.227,   0.036)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.224,   0.084,  -0.081)  ( -0.224,   0.084,  -0.081)  ( 0.00,  0.00,  0.00)
173: 36       (-11.234,   3.388,  -2.136)  (-11.220,   3.392,  -2.134)  ( 0.13,  0.11,  0.08)
173:     bond    (-12.281,   1.560,  -1.568)  (-12.267,   1.560,  -1.568)  ( 0.11,  0.02,  0.02)
173:     angle   (  0.218,   1.503,  -0.206)  (  0.218,   1.506,  -0.206)  ( 0.00,  0.22,  0.00)
173:     torsion (  0.040,  -0.057,  -0.375)  (  0.040,  -0.057,  -0.373)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.007)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.374,   0.156,   0.019)  (  0.374,   0.156,   0.019)  ( 0.00,  0.00,  0.00)
173:     electro (  0.414,   0.226,  -0.013)  (  0.414,   0.226,  -0.013)  ( 0.00,  0.00,  0.00)
173: 37       ( -7.663,   9.470,  -2.292)  ( -7.657,   9.482,  -2.290)  ( 0.07,  0.13,  0.08)
173:     bond    ( -5.129,  11.363,  -2.288)  ( -5.126,  11.374,  -2.287)  ( 0.05,  0.10,  0.02)
173:     angle   ( -2.392,  -1.097,  -0.098)  ( -2.389,  -1.097,  -0.098)  ( 0.12,  0.05,  0.00)
173:     torsion ( -0.006,   0.008,   0.049)  ( -0.006,   0.008,   0.051)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.004,  -0.005,  -0.036)  (  0.004,  -0.005,  -0.036)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.035,  -0.400,   0.057)  ( -0.035,  -0.400,   0.057)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.105,  -0.398,   0.023)  ( -0.105,  -0.398,   0.023)  ( 0.00,  0.00,  0.00)
173: 38       ( -7.103,  -7.577,   1.149)  ( -7.095,  -7.567,   1.150)  ( 0.10,  0.14,  0.13)
173:     bond    ( -6.172,  -8.092,   0.595)  ( -6.167,  -8.083,   0.595)  ( 0.09,  0.11,  0.00)
173:     angle   ( -0.200,   0.150,   0.009)  ( -0.197,   0.151,   0.009)  ( 0.04,  0.02,  0.00)
173:     torsion ( -0.081,   0.120,   0.791)  ( -0.081,   0.120,   0.793)  ( 0.00,  0.00,  0.11)
173:     oop     (  0.007,  -0.010,  -0.065)  (  0.007,  -0.010,  -0.065)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.021,  -0.614,   0.092)  ( -0.021,  -0.614,   0.092)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.636,   0.869,  -0.272)  ( -0.636,   0.869,  -0.272)  ( 0.00,  0.00,  0.00)
173: 39       ( 14.544, -46.771,   5.984)  ( 14.549, -46.755,   5.985)  ( 0.03,  0.03,  0.02)
173:     bond    (-11.935, -42.857,   4.341)  (-11.933, -42.841,   4.341)  ( 0.01,  0.04,  0.01)
173:     angle   ( 34.112,  -9.074,   4.235)  ( 34.116,  -9.073,   4.235)  ( 0.01,  0.00,  0.00)
173:     torsion (  0.147,  -0.213,  -1.697)  (  0.147,  -0.213,  -1.696)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.255,  -1.843,   0.086)  (  2.255,  -1.843,   0.086)  ( 0.00,  0.00,  0.00)
173:     electro (-10.036,   7.216,  -0.981)  (-10.036,   7.216,  -0.980)  ( 0.00,  0.00,  0.00)
173: ok 2 # gradients 
173: ok 3 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       ( -2.416,   1.336,  -0.580)  ( -2.381,   1.366,  -0.572)  ( 1.47,  2.25,  0.45)
173:     bond    (  1.668,   2.101,   0.514)  (  1.697,   2.122,   0.516)  ( 1.75,  1.00,  0.10)
173:     angle   ( -2.813,   0.148,  -0.737)  ( -2.807,   0.157,  -0.737)  ( 0.22,  0.13,  0.03)
173:     torsion ( -0.004,  -0.000,   0.007)  ( -0.003,  -0.000,   0.013)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.503,  -0.363,  -0.145)  ( -0.503,  -0.363,  -0.145)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.764,  -0.550,  -0.219)  ( -0.764,  -0.550,  -0.219)  ( 0.00,  0.00,  0.00)
173:  2       (-20.144, -28.711,  -6.120)  (-20.107, -28.679,  -6.117)  ( 0.18,  0.11,  0.05)
173:     bond    (-23.264, -13.153,  -6.554)  (-23.234, -13.130,  -6.552)  ( 0.13,  0.17,  0.03)
173:     angle   (  3.116, -15.559,   0.458)  (  3.122, -15.549,   0.455)  ( 0.20,  0.06,  0.16)
173:     torsion (  0.005,   0.001,  -0.024)  (  0.005,   0.001,  -0.020)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  3       ( -4.496,  -1.207,  -1.210)  ( -4.490,  -1.196,  -1.209)  ( 0.14,  0.89,  0.14)
173:     bond    ( -1.865,  -2.844,  -0.582)  ( -1.861,  -2.835,  -0.582)  ( 0.23,  0.34,  0.02)
173:     angle   ( -1.717,   1.210,  -0.414)  ( -1.715,   1.211,  -0.414)  ( 0.12,  0.08,  0.01)
173:     torsion ( -0.004,  -0.000,   0.013)  ( -0.004,  -0.000,   0.014)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.757,   0.117,  -0.196)  ( -0.757,   0.117,  -0.196)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.153,   0.311,  -0.031)  ( -0.153,   0.311,  -0.031)  ( 0.00,  0.00,  0.00)
173:  4       ( -0.619,   3.694,  -0.063)  ( -0.613,   3.706,  -0.062)  ( 0.34,  0.32,  0.01)
173:     bond    ( -0.396,   0.739,  -0.080)  ( -0.393,   0.750,  -0.080)  ( 0.12,  0.83,  0.00)
173:     angle   (  4.743,   2.628,   1.337)  (  4.745,   2.629,   1.337)  ( 0.05,  0.03,  0.01)
173:     torsion (  0.005,   0.001,  -0.019)  (  0.005,   0.001,  -0.018)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.367,  -0.181,  -1.422)  ( -5.367,  -0.181,  -1.422)  ( 0.00,  0.00,  0.00)
173:     electro (  0.397,   0.506,   0.121)  (  0.397,   0.506,   0.121)  ( 0.00,  0.00,  0.00)
173:  5       ( 14.833,  -8.003,   3.652)  ( 14.839,  -7.991,   3.654)  ( 0.04,  0.15,  0.04)
173:     bond    (  6.026, -12.251,   1.200)  (  6.028, -12.240,   1.200)  ( 0.05,  0.09,  0.00)
173:     angle   (  7.069,   3.677,   1.984)  (  7.072,   3.677,   1.984)  ( 0.04,  0.02,  0.01)
173:     torsion (  0.002,   0.000,  -0.009)  (  0.002,   0.000,  -0.008)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.795,  -0.091,   0.207)  (  0.795,  -0.091,   0.207)  ( 0.00,  0.00,  0.00)
173:     electro (  0.941,   0.663,   0.270)  (  0.941,   0.663,   0.270)  ( 0.00,  0.00,  0.00)
173:  6       ( 84.204, 153.028,  26.891)  ( 84.228, 153.069,  26.875)  ( 0.03,  0.03,  0.06)
173:     bond    ( 97.856, 137.509,  30.243)  ( 97.875, 137.547,  30.246)  ( 0.02,  0.03,  0.01)
173:     angle   (-19.851,  15.136,  -5.020)  (-19.847,  15.139,  -5.039)  ( 0.02,  0.02,  0.37)
173:     torsion ( -0.005,  -0.001,   0.018)  ( -0.005,  -0.001,   0.018)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.516,   0.198,   1.462)  (  5.516,   0.198,   1.462)  ( 0.00,  0.00,  0.00)
173:     electro (  0.688,   0.186,   0.188)  (  0.688,   0.186,   0.188)  ( 0.00,  0.00,  0.00)
173:  7       (-71.490, -120.302, -22.565)  (-71.475, -120.275, -22.569)  ( 0.02,  0.02,  0.02)
173:     bond    (-80.126, -112.242, -24.749)  (-80.112, -112.215, -24.747)  ( 0.02,  0.02,  0.01)
173:     angle   (  9.429,  -7.265,   2.419)  (  9.430,  -7.264,   2.413)  ( 0.01,  0.01,  0.23)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.316,   0.320,   0.094)  (  0.316,   0.320,   0.094)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.109,  -1.116,  -0.328)  ( -1.109,  -1.116,  -0.328)  ( 0.00,  0.00,  0.00)
173: ok 4 # gradients 
173: ok 5 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (-15.578,  12.843, -21.710)  (-15.551,  12.869, -21.683)  ( 0.17,  0.20,  0.12)
173:     bond    (-23.897,   0.009,  -0.241)  (-23.879,   0.028,  -0.222)  ( 0.08,  0.02,  0.45)
173:     angle   (  9.184,   9.468, -16.237)  (  9.192,   9.475, -16.229)  ( 0.09,  0.07,  0.05)
173:     torsion ( -0.724,   3.315,  -5.141)  ( -0.724,   3.316,  -5.141)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.085,  -0.028,   0.049)  (  0.085,  -0.028,   0.049)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.226,   0.080,  -0.140)  ( -0.226,   0.080,  -0.140)  ( 0.00,  0.00,  0.00)
173:  2       ( 66.444, -20.112,  34.103)  ( 66.479, -20.099,  34.137)  ( 0.05,  0.07,  0.10)
173:     bond    ( 80.756,  -4.206,   7.454)  ( 80.781,  -4.197,   7.481)  ( 0.03,  0.23,  0.37)
173:     angle   (-14.451, -14.681,  25.955)  (-14.441, -14.678,  25.961)  ( 0.07,  0.02,  0.02)
173:     torsion (  0.139,  -1.225,   0.694)  (  0.139,  -1.224,   0.694)  ( 0.00,  0.09,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  3       (-29.182, -26.066,  44.177)  (-29.173, -26.060,  44.194)  ( 0.03,  0.02,  0.04)
173:     bond    (-25.038, -24.585,  42.258)  (-25.032, -24.579,  42.274)  ( 0.02,  0.02,  0.04)
173:     angle   ( -9.303,   2.374,  -4.127)  ( -9.300,   2.375,  -4.126)  ( 0.03,  0.01,  0.02)
173:     torsion (  0.000,  -0.282,  -0.164)  (  0.000,  -0.282,  -0.164)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.203,   0.230,  -0.381)  (  5.203,   0.230,  -0.381)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.044,  -3.803,   6.591)  ( -0.044,  -3.803,   6.591)  ( 0.00,  0.00,  0.00)
173:  4       ( 24.918,  38.241, -61.839)  ( 24.953,  38.251, -61.810)  ( 0.14,  0.03,  0.05)
173:     bond    (-28.645,  29.006, -49.921)  (-28.619,  29.013, -49.899)  ( 0.09,  0.03,  0.04)
173:     angle   ( 48.649,   7.158, -13.750)  ( 48.659,   7.159, -13.745)  ( 0.02,  0.02,  0.04)
173:     torsion (  0.017,   2.352,   1.351)  (  0.017,   2.354,   1.352)  ( 0.00,  0.07,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.319,  -0.635,   1.111)  (  7.319,  -0.635,   1.111)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.422,   0.360,  -0.629)  ( -2.422,   0.360,  -0.629)  ( 0.00,  0.00,  0.00)
173:  5       (-21.265,   6.874, -14.158)  (-21.258,   6.878, -14.147)  ( 0.03,  0.06,  0.08)
173:     bond    (  1.241,   1.282,  -2.290)  (  1.244,   1.286,  -2.280)  ( 0.26,  0.26,  0.46)
173:     angle   (-24.505,   6.123,  -9.921)  (-24.502,   6.123,  -9.921)  ( 0.01,  0.00,  0.00)
173:     torsion ( -0.015,  -1.247,  -0.712)  ( -0.015,  -1.247,  -0.712)  ( 0.00,  0.04,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.129,   0.078,  -0.137)  ( -0.129,   0.078,  -0.137)  ( 0.00,  0.00,  0.00)
173:     electro (  2.143,   0.638,  -1.097)  (  2.143,   0.638,  -1.097)  ( 0.00,  0.00,  0.00)
173:  6       ( -9.157,  -4.798,   7.257)  ( -9.140,  -4.797,   7.260)  ( 0.19,  0.03,  0.04)
173:     bond    ( -9.043,  -0.339,   0.462)  ( -9.026,  -0.339,   0.462)  ( 0.19,  0.00,  0.00)
173:     angle   (  0.755,  -5.921,  10.394)  (  0.755,  -5.921,  10.396)  ( 0.00,  0.02,  0.03)
173:     torsion (  0.003,  -0.460,  -0.269)  (  0.003,  -0.459,  -0.269)  ( 0.00,  0.02,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.127,   0.070,  -0.122)  ( -0.127,   0.070,  -0.122)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.745,   1.852,  -3.207)  ( -0.745,   1.852,  -3.207)  ( 0.00,  0.00,  0.00)
173:  7       ( -5.958,   3.771,   5.961)  ( -5.955,   3.784,   5.963)  ( 0.06,  0.35,  0.04)
173:     bond    (  0.880,   2.996,  -0.063)  (  0.882,   3.009,  -0.063)  ( 0.10,  0.43,  0.00)
173:     angle   ( -3.718,   1.192,   4.962)  ( -3.716,   1.192,   4.964)  ( 0.06,  0.01,  0.04)
173:     torsion (  0.288,  -0.026,   2.823)  (  0.288,  -0.026,   2.823)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.634,  -0.831,  -1.163)  ( -3.634,  -0.831,  -1.163)  ( 0.00,  0.00,  0.00)
173:     electro (  0.226,   0.440,  -0.598)  (  0.226,   0.440,  -0.598)  ( 0.00,  0.00,  0.00)
173:  8       ( -5.916,  -7.067,  -0.309)  ( -5.912,  -7.062,  -0.298)  ( 0.06,  0.06,  0.33)
173:     bond    (  0.875,  -1.405,  -2.611)  (  0.876,  -1.402,  -2.601)  ( 0.10,  0.21,  0.39)
173:     angle   ( -3.642,  -4.939,   1.435)  ( -3.639,  -4.938,   1.436)  ( 0.06,  0.03,  0.04)
173:     torsion (  0.292,  -2.437,   1.412)  (  0.292,  -2.437,   1.412)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.658,   1.415,   0.141)  ( -3.658,   1.415,   0.141)  ( 0.00,  0.00,  0.00)
173:     electro (  0.217,   0.299,  -0.686)  (  0.217,   0.299,  -0.686)  ( 0.00,  0.00,  0.00)
173:  9       ( -4.447,  -3.770,   6.375)  ( -4.443,  -3.765,   6.384)  ( 0.11,  0.12,  0.15)
173:     bond    (  2.770,  -2.821,   4.838)  (  2.773,  -2.818,   4.847)  ( 0.10,  0.10,  0.18)
173:     angle   ( -3.009,  -0.788,   1.262)  ( -3.008,  -0.787,   1.263)  ( 0.06,  0.13,  0.07)
173:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.059,  -0.299,   0.503)  ( -5.059,  -0.299,   0.503)  ( 0.00,  0.00,  0.00)
173:     electro (  0.851,   0.134,  -0.232)  (  0.851,   0.134,  -0.232)  ( 0.00,  0.00,  0.00)
173: ok 6 # gradients 
173: ok 7 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       ( 67.160,   2.206,  24.780)  ( 67.186,   2.233,  24.806)  ( 0.04,  1.22,  0.10)
173:     bond    ( 22.644, -16.648,  11.930)  ( 22.661, -16.629,  11.948)  ( 0.08,  0.11,  0.15)
173:     angle   ( 37.185,  11.973,   6.180)  ( 37.193,  11.982,   6.187)  ( 0.02,  0.07,  0.12)
173:     torsion ( -1.785,   2.458,   6.015)  ( -1.785,   2.458,   6.015)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.865,   3.684,   0.918)  (  8.865,   3.684,   0.918)  ( 0.00,  0.00,  0.00)
173:     electro (  0.251,   0.738,  -0.263)  (  0.251,   0.738,  -0.263)  ( 0.00,  0.00,  0.00)
173:  2       (-54.056, -12.659, -38.296)  (-54.035, -12.646, -38.291)  ( 0.04,  0.10,  0.01)
173:     bond    (-48.851,  -1.807, -13.473)  (-48.831,  -1.800, -13.471)  ( 0.04,  0.40,  0.02)
173:     angle   (-10.253,  -3.726,  -7.605)  (-10.252,  -3.720,  -7.603)  ( 0.01,  0.15,  0.03)
173:     torsion (  5.048,  -7.126, -17.218)  (  5.048,  -7.126, -17.217)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  3       ( -9.462,   3.054,  -6.871)  ( -9.460,   3.067,  -6.868)  ( 0.03,  0.45,  0.04)
173:     bond    (  0.187,   4.023,   0.769)  (  0.187,   4.037,   0.769)  ( 0.00,  0.34,  0.04)
173:     angle   (-24.568,   2.112,  -5.117)  (-24.566,   2.112,  -5.115)  ( 0.01,  0.00,  0.04)
173:     torsion (  2.570,   0.608,  -3.814)  (  2.570,   0.608,  -3.814)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  9.035,  -3.284,   1.316)  (  9.036,  -3.284,   1.316)  ( 0.00,  0.00,  0.00)
173:     electro (  3.314,  -0.405,  -0.025)  (  3.314,  -0.405,  -0.025)  ( 0.00,  0.00,  0.00)
173:  4       ( -0.929,   4.323,   5.355)  ( -0.918,   4.327,   5.359)  ( 1.02,  0.09,  0.07)
173:     bond    ( -2.129,  -0.870,   0.925)  ( -2.119,  -0.868,   0.927)  ( 0.49,  0.15,  0.18)
173:     angle   ( -0.029,   1.460,   1.303)  ( -0.028,   1.462,   1.305)  ( 0.00,  0.14,  0.14)
173:     torsion (  0.179,   3.113,   3.325)  (  0.179,   3.114,   3.325)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.066,  -0.008,  -0.008)  ( -0.066,  -0.008,  -0.008)  ( 0.00,  0.00,  0.00)
173:     electro (  1.117,   0.628,  -0.190)  (  1.117,   0.628,  -0.190)  ( 0.00,  0.00,  0.00)
173:  5       ( -7.077,  -6.899,   0.843)  ( -7.075,  -6.896,   0.857)  ( 0.03,  0.04,  1.16)
173:     bond    (  0.021,  -0.314,  -1.873)  (  0.021,  -0.313,  -1.860)  ( 0.00,  0.01,  0.73)
173:     angle   ( -6.502,  -3.846,   0.573)  ( -6.499,  -3.843,   0.573)  ( 0.03,  0.06,  0.00)
173:     torsion ( -2.778,  -3.682,   0.588)  ( -2.778,  -3.682,   0.588)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.685,   0.034,   0.553)  (  0.685,   0.034,   0.553)  ( 0.00,  0.00,  0.00)
173:     electro (  1.496,   0.908,   1.002)  (  1.496,   0.908,   1.002)  ( 0.00,  0.00,  0.00)
173:  6       (-17.237,  28.530,  -1.904)  (-17.205,  28.562,  -1.894)  ( 0.19,  0.11,  0.55)
173:     bond    ( -4.210,  31.977, -15.446)  ( -4.178,  32.002, -15.437)  ( 0.75,  0.08,  0.06)
173:     angle   (  1.764, -12.053,   5.716)  (  1.765, -12.047,   5.717)  ( 0.01,  0.05,  0.02)
173:     torsion ( -3.310,   4.741,  11.339)  ( -3.310,   4.741,  11.339)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -7.040,   3.119,  -1.982)  ( -7.040,   3.120,  -1.982)  ( 0.00,  0.00,  0.00)
173:     electro ( -4.442,   0.747,  -1.531)  ( -4.442,   0.747,  -1.531)  ( 0.00,  0.00,  0.00)
173:  7       ( 39.537, -11.561,  18.250)  ( 39.556, -11.555,  18.255)  ( 0.05,  0.05,  0.03)
173:     bond    ( 32.188, -14.882,  16.406)  ( 32.207, -14.877,  16.411)  ( 0.06,  0.03,  0.03)
173:     angle   (  2.414,   4.058,  -1.058)  (  2.414,   4.059,  -1.058)  ( 0.02,  0.04,  0.01)
173:     torsion ( -0.273,   0.396,   0.895)  ( -0.273,   0.396,   0.895)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.203,  -0.065,   0.084)  (  0.203,  -0.065,   0.084)  ( 0.00,  0.00,  0.00)
173:     electro (  5.005,  -1.067,   1.924)  (  5.005,  -1.067,   1.924)  ( 0.00,  0.00,  0.00)
173:  8       (-18.049,  -7.109,  -2.227)  (-18.049,  -7.091,  -2.224)  ( 0.00,  0.24,  0.17)
173:     bond    (  0.051,  -1.569,   0.709)  (  0.051,  -1.551,   0.712)  ( 0.00,  1.10,  0.26)
173:     angle   ( -0.026,  -0.004,  -0.006)  ( -0.026,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.349,  -0.508,  -1.131)  (  0.349,  -0.508,  -1.131)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.682,  -3.480,  -0.882)  (-11.682,  -3.480,  -0.882)  ( 0.00,  0.00,  0.00)
173:     electro ( -6.742,  -1.548,  -0.918)  ( -6.742,  -1.548,  -0.918)  ( 0.00,  0.00,  0.00)
173: ok 8 # gradients 
173: ok 9 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       ( 52.387, -74.873, 129.946)  ( 52.410, -74.851, 129.962)  ( 0.04,  0.03,  0.01)
173:     bond    ( 44.647, -63.177, 109.681)  ( 44.664, -63.162, 109.690)  ( 0.04,  0.02,  0.01)
173:     angle   (  7.753, -11.692,  20.276)  (  7.758, -11.686,  20.282)  ( 0.07,  0.05,  0.03)
173:     torsion ( -0.013,  -0.004,  -0.010)  ( -0.013,  -0.004,  -0.010)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  2       ( -3.482,   5.998, -10.520)  ( -3.455,   6.026, -10.493)  ( 0.79,  0.46,  0.26)
173:     bond    ( -2.128,   0.003,   0.008)  ( -2.108,   0.023,   0.029)  ( 0.92,  0.01,  0.02)
173:     angle   ( -6.969,   4.291,  -7.559)  ( -6.962,   4.299,  -7.552)  ( 0.11,  0.18,  0.09)
173:     torsion ( -0.000,   0.006,  -0.002)  (  0.000,   0.006,  -0.002)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.786,   1.739,  -3.039)  (  5.786,   1.739,  -3.039)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.172,  -0.041,   0.071)  ( -0.172,  -0.041,   0.071)  ( 0.00,  0.00,  0.00)
173:  3       (-13.747,   4.615, -10.582)  (-13.719,   4.643, -10.554)  ( 0.21,  0.59,  0.26)
173:     bond    (  0.559,   1.981,  -0.095)  (  0.579,   2.001,  -0.075)  ( 1.12,  0.99,  0.19)
173:     angle   ( -1.658,   7.834,  -7.537)  ( -1.651,   7.842,  -7.530)  ( 0.46,  0.10,  0.09)
173:     torsion (  0.006,  -0.002,   0.014)  (  0.006,  -0.002,   0.014)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-12.755,  -5.343,  -3.034)  (-12.755,  -5.343,  -3.034)  ( 0.00,  0.00,  0.00)
173:     electro (  0.101,   0.145,   0.071)  (  0.101,   0.145,   0.071)  ( 0.00,  0.00,  0.00)
173:  4       (-13.936,   6.910,  -9.592)  (-13.908,   6.938,  -9.565)  ( 0.20,  0.40,  0.28)
173:     bond    (  0.682,  -0.990,  -1.830)  (  0.702,  -0.970,  -1.810)  ( 1.37,  1.98,  1.08)
173:     angle   ( -1.826,   2.713, -10.797)  ( -1.818,   2.721, -10.789)  ( 0.42,  0.27,  0.07)
173:     torsion ( -0.001,   0.005,  -0.004)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-12.893,   5.316,   3.128)  (-12.892,   5.316,   3.128)  ( 0.00,  0.00,  0.00)
173:     electro (  0.101,  -0.134,  -0.090)  (  0.101,  -0.134,  -0.090)  ( 0.00,  0.00,  0.00)
173:  5       (-25.904, 128.140,  -0.201)  (-25.900, 128.153,  -0.199)  ( 0.02,  0.01,  0.05)
173:     bond    (-44.104, 124.539,  -0.001)  (-44.102, 124.552,   0.000)  ( 0.00,  0.01,  0.00)
173:     angle   (  2.105,   0.746,  -0.030)  (  2.107,   0.746,  -0.028)  ( 0.09,  0.02,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.081,   2.805,   0.042)  ( 15.081,   2.805,   0.042)  ( 0.00,  0.00,  0.00)
173:     electro (  1.014,   0.050,  -0.212)  (  1.014,   0.050,  -0.212)  ( 0.00,  0.00,  0.00)
173:  6       (-41.125, -62.438, 108.322)  (-41.121, -62.433, 108.332)  ( 0.01,  0.01,  0.01)
173:     bond    (-44.022, -62.301, 107.873)  (-44.020, -62.298, 107.882)  ( 0.00,  0.01,  0.01)
173:     angle   (  2.401,  -0.335,   0.787)  (  2.403,  -0.333,   0.788)  ( 0.08,  0.05,  0.05)
173:     torsion ( -0.000,   0.002,   0.001)  (  0.000,   0.002,   0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.085,  -0.035,   0.060)  ( -0.085,  -0.035,   0.060)  ( 0.00,  0.00,  0.00)
173:     electro (  0.580,   0.231,  -0.400)  (  0.580,   0.231,  -0.400)  ( 0.00,  0.00,  0.00)
173:  7       (-25.293, -63.902, -111.322)  (-25.288, -63.897, -111.312)  ( 0.02,  0.01,  0.01)
173:     bond    (-44.001, -62.281, -107.920)  (-43.999, -62.278, -107.911)  ( 0.00,  0.01,  0.01)
173:     angle   (  2.450,  -0.318,  -0.818)  (  2.452,  -0.317,  -0.817)  ( 0.08,  0.05,  0.05)
173:     torsion ( -0.000,  -0.004,   0.002)  (  0.000,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.243,  -1.456,  -2.437)  ( 15.244,  -1.456,  -2.437)  ( 0.00,  0.00,  0.00)
173:     electro (  1.015,   0.158,  -0.150)  (  1.015,   0.158,  -0.150)  ( 0.00,  0.00,  0.00)
173:  8       (130.829,  -5.135,  -1.747)  (130.843,  -5.132,  -1.745)  ( 0.01,  0.06,  0.15)
173:     bond    (132.182,  -0.001,  -0.001)  (132.197,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
173:     angle   ( -0.000,  -2.186,  -0.045)  (  0.000,  -2.183,  -0.043)  ( 0.00,  0.10,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.859,  -2.328,  -1.348)  ( -0.859,  -2.328,  -1.348)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.495,  -0.621,  -0.353)  ( -0.495,  -0.621,  -0.353)  ( 0.00,  0.00,  0.00)
173:  9       (-47.847,  57.535, 107.082)  (-47.843,  57.540, 107.092)  ( 0.01,  0.01,  0.01)
173:     bond    (-44.022,  62.294, 107.873)  (-44.020,  62.298, 107.882)  ( 0.00,  0.01,  0.01)
173:     angle   ( -1.070,  -2.139,   0.797)  ( -1.068,  -2.137,   0.798)  ( 0.16,  0.08,  0.05)
173:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.321,  -1.993,  -1.141)  ( -2.321,  -1.993,  -1.141)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.435,  -0.628,  -0.447)  ( -0.435,  -0.628,  -0.447)  ( 0.00,  0.00,  0.00)
173: 10       (-47.394,  54.137, -107.992)  (-47.390,  54.143, -107.982)  ( 0.01,  0.01,  0.01)
173:     bond    (-43.959,  62.203, -107.816)  (-43.957,  62.206, -107.807)  ( 0.00,  0.01,  0.01)
173:     angle   ( -1.055,  -2.187,  -0.832)  ( -1.053,  -2.186,  -0.832)  ( 0.17,  0.08,  0.05)
173:     torsion (  0.004,  -0.002,  -0.003)  (  0.004,  -0.002,  -0.003)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.994,  -4.924,   0.658)  ( -1.994,  -4.924,   0.658)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.391,  -0.952,   0.001)  ( -0.391,  -0.952,   0.001)  ( 0.00,  0.00,  0.00)
173: 11       (130.831,   4.001,   3.571)  (130.845,   4.004,   3.574)  ( 0.01,  0.07,  0.08)
173:     bond    (132.183,  -0.035,  -0.070)  (132.197,  -0.035,  -0.070)  ( 0.01,  0.00,  0.00)
173:     angle   (  0.001,   1.081,   1.938)  (  0.001,   1.083,   1.940)  ( 0.00,  0.18,  0.11)
173:     torsion ( -0.000,   0.005,  -0.003)  ( -0.000,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.859,   2.334,   1.344)  ( -0.859,   2.334,   1.344)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.494,   0.616,   0.362)  ( -0.494,   0.616,   0.362)  ( 0.00,  0.00,  0.00)
173: 12       (-47.569,  66.412, -100.996)  (-47.565,  66.418, -100.985)  ( 0.01,  0.01,  0.01)
173:     bond    (-44.072,  62.288, -107.890)  (-44.070,  62.292, -107.881)  ( 0.00,  0.01,  0.01)
173:     angle   ( -1.090,   1.766,   1.465)  ( -1.088,   1.768,   1.465)  ( 0.16,  0.09,  0.05)
173:     torsion ( -0.005,  -0.004,   0.000)  ( -0.005,  -0.004,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.011,   1.886,   4.604)  ( -2.011,   1.886,   4.604)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.390,   0.475,   0.826)  ( -0.390,   0.475,   0.826)  ( 0.00,  0.00,  0.00)
173: 13       (-47.912, -121.563,   3.871)  (-47.908, -121.550,   3.874)  ( 0.01,  0.01,  0.07)
173:     bond    (-44.066, -124.643,   0.069)  (-44.064, -124.631,   0.070)  ( 0.00,  0.01,  0.00)
173:     angle   ( -1.083,   0.383,   2.316)  ( -1.082,   0.384,   2.318)  ( 0.16,  0.01,  0.09)
173:     torsion (  0.009,  -0.003,   0.005)  (  0.009,  -0.003,   0.005)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.336,   1.998,   1.161)  ( -2.336,   1.998,   1.161)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.435,   0.702,   0.320)  ( -0.435,   0.702,   0.320)  ( 0.00,  0.00,  0.00)
173: ok 10 # gradients 
173: ok 11 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (-271.138, 383.042, -663.507)  (-271.125, 383.054, -663.501)  ( 0.00,  0.00,  0.00)
173:     bond    (-217.378, 307.591, -532.902)  (-217.370, 307.598, -532.901)  ( 0.00,  0.00,  0.00)
173:     angle   (-53.753,  75.453, -130.601)  (-53.749,  75.457, -130.596)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.006,  -0.002,  -0.005)  ( -0.006,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  2       (770.692, -25.809,  44.488)  (770.715, -25.784,  44.512)  ( 0.00,  0.10,  0.05)
173:     bond    (788.238,   0.006,   0.011)  (788.254,   0.024,   0.029)  ( 0.00,  0.01,  0.02)
173:     angle   (-26.180, -28.418,  49.021)  (-26.173, -28.411,  49.028)  ( 0.03,  0.02,  0.01)
173:     torsion ( -0.000,   0.003,  -0.001)  (  0.000,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  9.043,   2.698,  -4.714)  (  9.043,   2.698,  -4.714)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.409,  -0.098,   0.170)  ( -0.409,  -0.098,   0.170)  ( 0.00,  0.00,  0.00)
173:  3       (-246.459, -735.886,  44.420)  (-246.434, -735.862,  44.444)  ( 0.01,  0.00,  0.05)
173:     bond    (-263.274, -743.035,  -0.093)  (-263.257, -743.019,  -0.075)  ( 0.01,  0.00,  0.16)
173:     angle   ( 35.493,  15.072,  49.043)  ( 35.500,  15.079,  49.050)  ( 0.02,  0.05,  0.01)
173:     torsion (  0.003,  -0.001,   0.006)  (  0.003,  -0.001,   0.006)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-18.922,  -8.267,  -4.707)  (-18.922,  -8.267,  -4.707)  ( 0.00,  0.00,  0.00)
173:     electro (  0.241,   0.346,   0.170)  (  0.241,   0.346,   0.170)  ( 0.00,  0.00,  0.00)
173:  4       (-246.256, 329.681, 659.355)  (-246.231, 329.705, 659.379)  ( 0.01,  0.01,  0.00)
173:     bond    (-262.685, 371.683, 643.520)  (-262.668, 371.701, 643.537)  ( 0.01,  0.00,  0.00)
173:     angle   ( 35.311, -49.918,  11.219)  ( 35.318, -49.912,  11.226)  ( 0.02,  0.01,  0.06)
173:     torsion ( -0.001,   0.002,  -0.002)  ( -0.000,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-19.122,   8.234,   4.833)  (-19.122,   8.234,   4.833)  ( 0.00,  0.00,  0.00)
173:     electro (  0.241,  -0.320,  -0.215)  (  0.241,  -0.320,  -0.215)  ( 0.00,  0.00,  0.00)
173:  5       (-11.489, 135.972,  -0.102)  (-11.484, 135.985,  -0.100)  ( 0.04,  0.01,  0.02)
173:     bond    (-45.231, 127.721,  -0.001)  (-45.228, 127.733,   0.000)  ( 0.00,  0.01,  0.00)
173:     angle   (  8.533,   3.022,  -0.030)  (  8.535,   3.022,  -0.028)  ( 0.02,  0.01,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 24.859,   5.186,   0.011)  ( 24.859,   5.186,   0.011)  ( 0.00,  0.00,  0.00)
173:     electro (  0.350,   0.044,  -0.082)  (  0.350,   0.044,  -0.082)  ( 0.00,  0.00,  0.00)
173:  6       (-36.115, -65.266, 113.222)  (-36.111, -65.261, 113.232)  ( 0.01,  0.01,  0.01)
173:     bond    (-45.146, -63.893, 110.628)  (-45.144, -63.889, 110.638)  ( 0.00,  0.01,  0.01)
173:     angle   (  8.798,  -1.462,   2.746)  (  8.800,  -1.461,   2.747)  ( 0.02,  0.10,  0.02)
173:     torsion ( -0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.037,   0.008,  -0.014)  (  0.037,   0.008,  -0.014)  ( 0.00,  0.00,  0.00)
173:     electro (  0.197,   0.081,  -0.140)  (  0.197,   0.081,  -0.140)  ( 0.00,  0.00,  0.00)
173:  7       (-10.816, -67.901, -118.066)  (-10.812, -67.896, -118.056)  ( 0.04,  0.01,  0.01)
173:     bond    (-45.125, -63.872, -110.677)  (-45.123, -63.868, -110.667)  ( 0.00,  0.01,  0.01)
173:     angle   (  8.836,  -1.443,  -2.772)  (  8.838,  -1.442,  -2.771)  ( 0.02,  0.10,  0.02)
173:     torsion ( -0.000,  -0.002,   0.001)  (  0.000,  -0.002,   0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 25.121,  -2.633,  -4.539)  ( 25.122,  -2.633,  -4.539)  ( 0.00,  0.00,  0.00)
173:     electro (  0.351,   0.049,  -0.079)  (  0.351,   0.049,  -0.079)  ( 0.00,  0.00,  0.00)
173:  8       (133.977, -13.687,  -2.770)  (133.991, -13.684,  -2.767)  ( 0.01,  0.02,  0.09)
173:     bond    (135.558,  -0.001,  -0.001)  (135.572,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
173:     angle   ( -0.000,  -9.007,  -0.044)  (  0.000,  -9.005,  -0.042)  ( 0.00,  0.02,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.421,  -4.461,  -2.588)  ( -1.421,  -4.461,  -2.588)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.160,  -0.219,  -0.137)  ( -0.160,  -0.219,  -0.137)  ( 0.00,  0.00,  0.00)
173:  9       (-54.376,  52.198, 110.874)  (-54.372,  52.203, 110.884)  ( 0.01,  0.01,  0.01)
173:     bond    (-45.146,  63.885, 110.628)  (-45.144,  63.889, 110.638)  ( 0.00,  0.01,  0.01)
173:     angle   ( -4.271,  -7.796,   2.758)  ( -4.269,  -7.794,   2.759)  ( 0.04,  0.02,  0.02)
173:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.788,  -3.684,  -2.353)  ( -4.788,  -3.684,  -2.353)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.171,  -0.208,  -0.159)  ( -0.171,  -0.208,  -0.159)  ( 0.00,  0.00,  0.00)
173: 10       (-53.750,  46.610, -112.293)  (-53.747,  46.615, -112.283)  ( 0.01,  0.01,  0.01)
173:     bond    (-45.082,  63.793, -110.573)  (-45.080,  63.796, -110.563)  ( 0.00,  0.01,  0.01)
173:     angle   ( -4.250,  -7.836,  -2.789)  ( -4.249,  -7.835,  -2.788)  ( 0.04,  0.02,  0.02)
173:     torsion (  0.002,  -0.001,  -0.001)  (  0.002,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.265,  -9.021,   1.090)  ( -4.265,  -9.021,   1.090)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.155,  -0.325,  -0.020)  ( -0.155,  -0.325,  -0.020)  ( 0.00,  0.00,  0.00)
173: 11       (133.984,   9.161,  10.464)  (133.998,   9.163,  10.466)  ( 0.01,  0.03,  0.02)
173:     bond    (135.558,  -0.036,  -0.072)  (135.572,  -0.036,  -0.071)  ( 0.01,  0.00,  0.00)
173:     angle   (  0.005,   4.491,   7.842)  (  0.005,   4.493,   7.844)  ( 0.00,  0.04,  0.02)
173:     torsion ( -0.000,   0.002,  -0.001)  ( -0.000,   0.002,  -0.001)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.419,   4.476,   2.574)  ( -1.419,   4.476,   2.574)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.160,   0.228,   0.121)  ( -0.160,   0.228,   0.121)  ( 0.00,  0.00,  0.00)
173: 12       (-53.944,  73.905, -96.608)  (-53.940,  73.910, -96.597)  ( 0.01,  0.01,  0.01)
173:     bond    (-45.198,  63.879, -110.646)  (-45.196,  63.883, -110.636)  ( 0.00,  0.01,  0.01)
173:     angle   ( -4.286,   6.292,   5.384)  ( -4.284,   6.294,   5.384)  ( 0.04,  0.02,  0.01)
173:     torsion ( -0.002,  -0.002,   0.000)  ( -0.002,  -0.002,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.303,   3.555,   8.383)  ( -4.303,   3.555,   8.383)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.155,   0.180,   0.272)  ( -0.155,   0.180,   0.272)  ( 0.00,  0.00,  0.00)
173: 13       (-54.454, -122.162,  10.382)  (-54.450, -122.149,  10.385)  ( 0.01,  0.01,  0.02)
173:     bond    (-45.191, -127.826,   0.071)  (-45.189, -127.813,   0.071)  ( 0.00,  0.01,  0.00)
173:     angle   ( -4.274,   1.515,   8.186)  ( -4.272,   1.515,   8.188)  ( 0.04,  0.01,  0.02)
173:     torsion (  0.004,  -0.001,   0.002)  (  0.004,  -0.001,   0.002)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.822,   3.908,   2.023)  ( -4.822,   3.908,   2.023)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.171,   0.242,   0.100)  ( -0.171,   0.242,   0.100)  ( 0.00,  0.00,  0.00)
173: ok 12 # gradients 
173: ok 13 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (  5.260,  -5.148,  -2.361)  (  5.295,  -5.114,  -2.351)  ( 0.66,  0.67,  0.43)
173:     bond    ( 24.503, -13.273,  -6.986)  ( 24.527, -13.246,  -6.983)  ( 0.10,  0.20,  0.05)
173:     angle   (  5.776,   8.041,   2.076)  (  5.785,   8.048,   2.077)  ( 0.17,  0.09,  0.04)
173:     torsion (  0.111,  -0.262,   0.581)  (  0.111,  -0.261,   0.587)  ( 0.00,  0.02,  0.30)
173:     oop     ( -0.010,   0.041,  -0.129)  ( -0.010,   0.041,  -0.128)  ( 0.00,  0.00,  0.01)
173:     vdw     (-24.970,   0.489,   2.359)  (-24.969,   0.489,   2.359)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.150,  -0.184,  -0.263)  ( -0.150,  -0.184,  -0.263)  ( 0.00,  0.00,  0.00)
173:  2       ( 21.589,  -5.064,  -1.366)  ( 21.626,  -5.032,  -1.356)  ( 0.17,  0.65,  0.72)
173:     bond    ( 28.371, -14.839,  -6.987)  ( 28.399, -14.815,  -6.984)  ( 0.10,  0.16,  0.04)
173:     angle   (  5.127, -11.898,  -4.480)  (  5.136, -11.890,  -4.479)  ( 0.16,  0.07,  0.02)
173:     torsion ( -0.039,  -0.121,   0.555)  ( -0.039,  -0.120,   0.560)  ( 0.00,  0.01,  0.29)
173:     oop     (  0.053,  -0.261,   0.756)  (  0.053,  -0.261,   0.757)  ( 0.00,  0.00,  0.05)
173:     vdw     (-11.673,  22.514,   9.309)  (-11.673,  22.514,   9.309)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.250,  -0.460,  -0.520)  ( -0.250,  -0.460,  -0.520)  ( 0.00,  0.00,  0.00)
173:  3       (-20.508,  13.173, -15.744)  (-20.471,  13.206, -15.734)  ( 0.18,  0.25,  0.07)
173:     bond    (-12.501, -44.238, -14.912)  (-12.473, -44.215, -14.908)  ( 0.23,  0.05,  0.02)
173:     angle   (  5.010,  29.663,  10.345)  (  5.018,  29.671,  10.346)  ( 0.17,  0.03,  0.01)
173:     torsion ( -0.498,   1.296,  -4.211)  ( -0.498,   1.297,  -4.205)  ( 0.00,  0.05,  0.12)
173:     oop     ( -0.099,   0.419,  -1.199)  ( -0.098,   0.419,  -1.198)  ( 0.00,  0.00,  0.06)
173:     vdw     (-11.894,  26.583,  -4.757)  (-11.893,  26.583,  -4.756)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.527,  -0.549,  -1.012)  ( -0.527,  -0.549,  -1.012)  ( 0.00,  0.00,  0.00)
173:  4       (-74.893, -26.370, -29.390)  (-74.856, -26.335, -29.379)  ( 0.05,  0.13,  0.04)
173:     bond    (-72.784,  16.430,  10.408)  (-72.758,  16.456,  10.412)  ( 0.04,  0.16,  0.04)
173:     angle   (-19.957, -39.249, -23.098)  (-19.947, -39.241, -23.096)  ( 0.05,  0.02,  0.01)
173:     torsion ( -0.579,   1.308,  -5.329)  ( -0.579,   1.309,  -5.324)  ( 0.00,  0.06,  0.09)
173:     oop     ( -0.078,   0.279,  -0.667)  ( -0.078,   0.279,  -0.667)  ( 0.00,  0.00,  0.01)
173:     vdw     ( 17.836,  -5.464, -11.173)  ( 17.837,  -5.464, -11.173)  ( 0.00,  0.00,  0.00)
173:     electro (  0.668,   0.326,   0.469)  (  0.668,   0.326,   0.469)  ( 0.00,  0.00,  0.00)
174: ok 1 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (230.770,  15.548,  47.534)  (230.842,  15.637,  47.545)  ( 0.03,  0.58,  0.02)
174:     bond    (121.169,  86.026,  47.443)  (121.228,  86.103,  47.449)  ( 0.05,  0.09,  0.01)
174:     angle   (114.073, -75.278,  10.957)  (114.085, -75.265,  10.959)  ( 0.01,  0.02,  0.02)
174:     torsion (  2.315,   2.076, -10.103)  (  2.315,   2.076, -10.100)  ( 0.00,  0.01,  0.02)
174:     vdw     ( -6.787,   2.723,  -0.763)  ( -6.787,   2.723,  -0.763)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       ( 31.074, -55.193,  28.644)  ( 31.177, -55.120,  28.657)  ( 0.33,  0.13,  0.05)
174:     bond    (105.357, -149.034,  -5.246)  (105.440, -148.979,  -5.239)  ( 0.08,  0.04,  0.14)
174:     angle   (-80.367, 107.149,  -3.347)  (-80.347, 107.165,  -3.343)  ( 0.02,  0.02,  0.11)
174:     torsion (  9.368,  -1.776,  23.908)  (  9.368,  -1.776,  23.910)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -3.283, -11.531,  13.329)  ( -3.283, -11.531,  13.329)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       (-236.753, -106.456, -95.205)  (-236.677, -106.370, -95.193)  ( 0.03,  0.08,  0.01)
174:     bond    (-177.229, -86.227, -64.766)  (-177.165, -86.154, -64.759)  ( 0.04,  0.08,  0.01)
174:     angle   (-70.025, -29.241, -13.562)  (-70.013, -29.228, -13.560)  ( 0.02,  0.04,  0.02)
174:     torsion (  4.874,   3.954, -19.458)  (  4.874,   3.954, -19.456)  ( 0.00,  0.00,  0.01)
174:     vdw     (  5.628,   5.057,   2.581)  (  5.628,   5.057,   2.581)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (-126.999, -160.981, -84.433)  (-126.935, -160.889, -84.419)  ( 0.05,  0.06,  0.02)
174:     bond    (-234.447,  24.970, -55.738)  (-234.396,  25.050, -55.729)  ( 0.02,  0.32,  0.02)
174:     angle   ( 99.611, -183.568, -21.468)  ( 99.624, -183.556, -21.465)  ( 0.01,  0.01,  0.01)
174:     torsion (  1.884,   1.751,  -6.942)  (  1.884,   1.751,  -6.941)  ( 0.01,  0.01,  0.03)
174:     vdw     (  5.953,  -4.134,  -0.285)  (  5.953,  -4.134,  -0.285)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-22.500, 327.225,  82.973)  (-22.421, 327.266,  82.984)  ( 0.35,  0.01,  0.01)
174:     bond    ( 38.244, 121.228,  41.806)  ( 38.319, 121.256,  41.813)  ( 0.20,  0.02,  0.02)
174:     angle   (-54.031, 208.040,  36.291)  (-54.027, 208.053,  36.292)  ( 0.01,  0.01,  0.00)
174:     torsion ( -1.949,  -1.946,   7.573)  ( -1.949,  -1.946,   7.574)  ( 0.00,  0.01,  0.02)
174:     vdw     ( -4.764,  -0.097,  -2.696)  ( -4.764,  -0.097,  -2.696)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       ( 32.880, -339.346, -69.860)  ( 32.955, -339.260, -69.851)  ( 0.23,  0.03,  0.01)
174:     bond    ( 86.762, -175.637, -21.392)  ( 86.824, -175.563, -21.387)  ( 0.07,  0.04,  0.02)
174:     angle   (-51.939, -157.049, -49.092)  (-51.926, -157.038, -49.090)  ( 0.03,  0.01,  0.00)
174:     torsion ( -0.579,  -0.614,   2.947)  ( -0.579,  -0.614,   2.949)  ( 0.01,  0.01,  0.08)
174:     vdw     ( -0.865,  -6.374,  -2.432)  ( -0.865,  -6.374,  -2.432)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.499,   0.329,   0.109)  ( -0.499,   0.329,   0.109)  ( 0.00,  0.00,  0.00)
174:  7       (133.858,  88.163,  -4.538)  (133.901,  88.209,  -4.499)  ( 0.03,  0.05,  0.86)
174:     bond    (120.107, -51.316, -45.582)  (120.140, -51.282, -45.553)  ( 0.03,  0.07,  0.06)
174:     angle   ( 14.796, 145.842,  41.461)  ( 14.806, 145.853,  41.471)  ( 0.07,  0.01,  0.02)
174:     torsion ( -0.612,  -0.558,   2.434)  ( -0.612,  -0.558,   2.435)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.433,  -5.805,  -2.852)  ( -0.433,  -5.804,  -2.852)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  5       (-30.629,  -6.041,  27.219)  (-30.591,  -6.009,  27.229)  ( 0.12,  0.54,  0.04)
173:     bond    (-35.335,  32.570,  16.427)  (-35.307,  32.594,  16.431)  ( 0.08,  0.07,  0.02)
173:     angle   (-11.648,  -7.912,  -1.789)  (-11.639,  -7.904,  -1.788)  ( 0.07,  0.10,  0.06)
173:     torsion (  1.790,  -7.107,  18.634)  (  1.790,  -7.107,  18.639)  ( 0.00,  0.01,  0.03)
173:     oop     (  0.322,  -1.081,   3.045)  (  0.322,  -1.081,   3.045)  ( 0.00,  0.01,  0.02)
173:     vdw     ( 13.738, -22.556,  -8.840)  ( 13.738, -22.555,  -8.840)  ( 0.00,  0.00,  0.00)
173:     electro (  0.504,   0.044,  -0.258)  (  0.504,   0.044,  -0.258)  ( 0.00,  0.00,  0.00)
173:  6       ( 13.714,   4.272,  -1.854)  ( 13.751,   4.304,  -1.844)  ( 0.27,  0.77,  0.55)
173:     bond    ( 38.529,  26.713,   5.049)  ( 38.558,  26.736,   5.053)  ( 0.07,  0.09,  0.07)
173:     angle   ( -9.725,   0.549,   1.163)  ( -9.716,   0.557,   1.164)  ( 0.08,  0.45,  0.09)
173:     torsion ( -0.017,   0.655,  -0.559)  ( -0.017,   0.656,  -0.554)  ( 0.00,  0.04,  0.28)
173:     oop     ( -0.037,   0.144,  -0.360)  ( -0.037,   0.145,  -0.359)  ( 0.00,  0.00,  0.03)
173:     vdw     (-15.307, -23.860,  -6.973)  (-15.307, -23.860,  -6.973)  ( 0.00,  0.00,  0.00)
173:     electro (  0.271,   0.070,  -0.175)  (  0.271,   0.070,  -0.175)  ( 0.00,  0.00,  0.00)
173:  7       (155.062,  58.275, 140.792)  (155.097,  58.294, 140.814)  ( 0.02,  0.03,  0.02)
173:     bond    (123.692,  55.388,  93.502)  (123.718,  55.400,  93.517)  ( 0.02,  0.02,  0.02)
173:     angle   ( 50.368,  29.010,  24.472)  ( 50.376,  29.016,  24.477)  ( 0.02,  0.02,  0.02)
173:     torsion ( -8.787, -46.879,  31.890)  ( -8.786, -46.878,  31.891)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.248,  21.884,  -9.351)  ( -5.248,  21.885,  -9.351)  ( 0.00,  0.00,  0.00)
173:     electro ( -4.963,  -1.128,   0.280)  ( -4.963,  -1.128,   0.280)  ( 0.00,  0.00,  0.00)
173:  8       (-55.997,  21.994,  41.099)  (-55.960,  22.008,  41.133)  ( 0.07,  0.07,  0.08)
173:     bond    (-124.586, -15.539, -11.759)  (-124.560, -15.529, -11.729)  ( 0.02,  0.06,  0.25)
173:     angle   ( 60.058,  66.972,  82.045)  ( 60.068,  66.975,  82.050)  ( 0.02,  0.00,  0.01)
173:     torsion ( -3.015,  -4.995, -33.899)  ( -3.015,  -4.994, -33.900)  ( 0.00,  0.02,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.161, -23.778,   4.119)  (  8.161, -23.777,   4.119)  ( 0.00,  0.00,  0.00)
173:     electro (  3.385,  -0.667,   0.594)  (  3.385,  -0.667,   0.594)  ( 0.00,  0.00,  0.00)
173:  9       ( -4.626, -55.968, -86.986)  ( -4.618, -55.961, -86.966)  ( 0.17,  0.01,  0.02)
173:     bond    ( 33.790, -47.731, -90.141)  ( 33.793, -47.725, -90.122)  ( 0.01,  0.01,  0.02)
173:     angle   (-60.901, -11.446, -16.774)  (-60.898, -11.446, -16.774)  ( 0.01,  0.00,  0.00)
173:     torsion ( -1.721,  40.864, -22.286)  ( -1.721,  40.864, -22.286)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 29.386, -37.753,  45.421)  ( 29.387, -37.752,  45.422)  ( 0.00,  0.00,  0.00)
173:     electro ( -5.180,   0.098,  -3.207)  ( -5.180,   0.098,  -3.207)  ( 0.00,  0.00,  0.00)
173: 10       (875.543, -1004.615, -67.954)  (875.579, -1004.581, -67.945)  ( 0.00,  0.00,  0.01)
173:     bond    (939.244, -991.164, -28.908)  (939.277, -991.135, -28.901)  ( 0.00,  0.00,  0.02)
173:     angle   (-69.172,  -9.984, -73.622)  (-69.169,  -9.979, -73.620)  ( 0.00,  0.05,  0.00)
173:     torsion (  3.542,  -1.685,  33.660)  (  3.543,  -1.685,  33.660)  ( 0.00,  0.02,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.743,  -1.844,   0.105)  (  1.743,  -1.844,   0.105)  ( 0.00,  0.01,  0.00)
173:     electro (  0.186,   0.063,   0.811)  (  0.186,   0.063,   0.811)  ( 0.00,  0.00,  0.00)
173: 11       ( 23.100, -113.050,  57.542)  ( 23.136, -113.014,  57.549)  ( 0.15,  0.03,  0.01)
173:     bond    (-93.024, -80.287,  13.134)  (-92.999, -80.260,  13.137)  ( 0.03,  0.03,  0.03)
173:     angle   (110.080, -19.203,  59.248)  (110.089, -19.195,  59.249)  ( 0.01,  0.04,  0.00)
173:     torsion (  4.856,  -8.992, -13.058)  (  4.856,  -8.992, -13.056)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.131,  -4.357,  -2.302)  (  2.131,  -4.357,  -2.302)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.942,  -0.210,   0.520)  ( -0.942,  -0.210,   0.520)  ( 0.00,  0.00,  0.00)
173: 12       ( 15.143, -27.766, -22.308)  ( 15.177, -27.732, -22.303)  ( 0.23,  0.12,  0.02)
173:     bond    (-47.709,  41.747,  -8.556)  (-47.682,  41.771,  -8.555)  ( 0.06,  0.06,  0.01)
173:     angle   ( 61.470, -59.892,   6.134)  ( 61.477, -59.882,   6.136)  ( 0.01,  0.02,  0.03)
173:     torsion (  0.115,  -3.935, -16.158)  (  0.115,  -3.935, -16.156)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.791,  -6.546,   1.962)  ( -2.791,  -6.546,   1.962)  ( 0.00,  0.00,  0.00)
173:     electro (  4.059,   0.859,  -5.691)  (  4.059,   0.859,  -5.691)  ( 0.00,  0.00,  0.00)
173: 13       (-1137.252, -377.437, -32.765)  (-1137.216, -377.407, -32.759)  ( 0.00,  0.01,  0.02)
173:     bond    (-1094.636, -401.172, -36.735)  (-1094.607, -401.144, -36.730)  ( 0.00,  0.01,  0.01)
173:     angle   (-12.380,   1.580,  -0.589)  (-12.374,   1.581,  -0.589)  ( 0.05,  0.08,  0.01)
173:     torsion (  0.047,   0.779,   1.225)  (  0.047,   0.779,   1.226)  ( 0.00,  0.00,  0.10)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-29.960,  21.326,   3.138)  (-29.959,  21.327,   3.138)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.323,   0.049,   0.196)  ( -0.323,   0.049,   0.196)  ( 0.00,  0.00,  0.00)
173: 14       (260.439, 1601.601,  42.043)  (260.471, 1601.637,  42.053)  ( 0.01,  0.00,  0.03)
173:     bond    (272.029, 1597.553,  19.991)  (272.058, 1597.589,  20.000)  ( 0.01,  0.00,  0.05)
173:     angle   (-14.439,   2.075,   1.537)  (-14.436,   2.075,   1.537)  ( 0.02,  0.00,  0.00)
173:     torsion (  0.332,  -0.786,  20.047)  (  0.332,  -0.786,  20.048)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.662,   2.649,   0.254)  (  2.662,   2.649,   0.254)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.146,   0.111,   0.214)  ( -0.146,   0.111,   0.214)  ( 0.00,  0.00,  0.00)
173: 15       ( 57.542, -120.911, -34.639)  ( 57.578, -120.875, -34.632)  ( 0.06,  0.03,  0.02)
173:     bond    ( 48.171, -80.391,  -8.660)  ( 48.199, -80.365,  -8.659)  ( 0.06,  0.03,  0.01)
173:     angle   ( 10.637, -59.373,  -5.034)  ( 10.644, -59.363,  -5.034)  ( 0.07,  0.02,  0.00)
173:     torsion ( -2.988,  -1.203, -22.337)  ( -2.988,  -1.203, -22.332)  ( 0.00,  0.00,  0.02)
173:     oop     (  0.011,  -0.008,   0.152)  (  0.011,  -0.008,   0.152)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.570,  20.372,   1.417)  (  1.570,  20.373,   1.417)  ( 0.00,  0.00,  0.00)
173:     electro (  0.142,  -0.309,  -0.178)  (  0.142,  -0.309,  -0.178)  ( 0.00,  0.00,  0.00)
173: 16       (-56.235, -50.392,   7.997)  (-56.199, -50.355,   8.005)  ( 0.06,  0.07,  0.09)
173:     bond    ( 12.036, -78.103, -10.446)  ( 12.062, -78.076, -10.445)  ( 0.22,  0.03,  0.01)
173:     angle   (-49.064,  17.676,   7.076)  (-49.055,  17.684,   7.076)  ( 0.02,  0.05,  0.00)
173:     torsion (  0.992,  -0.564,   7.080)  (  0.992,  -0.564,   7.085)  ( 0.02,  0.01,  0.08)
173:     oop     (  0.053,  -0.039,   0.344)  (  0.053,  -0.039,   0.345)  ( 0.00,  0.00,  0.02)
173:     vdw     (-20.514,  10.870,   4.689)  (-20.513,  10.870,   4.688)  ( 0.00,  0.00,  0.00)
173:     electro (  0.261,  -0.231,  -0.745)  (  0.261,  -0.231,  -0.745)  ( 0.00,  0.00,  0.00)
173: 17       (  9.152,  29.790,   6.800)  (  9.187,  29.827,   6.808)  ( 0.38,  0.13,  0.11)
173:     bond    ( 27.062,  61.293,   3.726)  ( 27.088,  61.322,   3.727)  ( 0.09,  0.05,  0.03)
173:     angle   ( 11.473, -19.158,  -4.514)  ( 11.482, -19.150,  -4.513)  ( 0.08,  0.04,  0.00)
173:     torsion (  0.986,  -0.675,   6.162)  (  0.986,  -0.675,   6.167)  ( 0.01,  0.00,  0.09)
173:     oop     ( -0.012,   0.009,  -0.074)  ( -0.012,   0.009,  -0.073)  ( 0.00,  0.00,  0.01)
174:  8       ( -8.961,  88.814,  12.903)  ( -8.949,  88.851,  12.924)  ( 0.13,  0.04,  0.16)
174:     bond    (-20.203, 101.675,  18.600)  (-20.201, 101.710,  18.616)  ( 0.01,  0.04,  0.09)
174:     angle   ( 38.037, -13.083,   7.156)  ( 38.047, -13.081,   7.160)  ( 0.03,  0.01,  0.06)
174:     torsion (-21.767,  -2.156,  -9.606)  (-21.768,  -2.156,  -9.606)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -5.028,   2.378,  -3.247)  ( -5.027,   2.378,  -3.247)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       ( -1.781,  27.438,   6.210)  ( -1.735,  27.485,   6.259)  ( 2.59,  0.17,  0.79)
174:     bond    ( -2.842, -29.193,  13.720)  ( -2.805, -29.158,  13.757)  ( 1.28,  0.12,  0.27)
174:     angle   ( -6.775,  56.706,  -9.037)  ( -6.765,  56.718,  -9.025)  ( 0.15,  0.02,  0.13)
174:     torsion (  8.642,  -0.633,   2.133)  (  8.642,  -0.634,   2.133)  ( 0.01,  0.02,  0.01)
174:     vdw     ( -0.806,   0.558,  -0.606)  ( -0.806,   0.558,  -0.606)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 10       (121.026,  97.357,  77.519)  (121.076,  97.405,  77.566)  ( 0.04,  0.05,  0.06)
174:     bond    ( 55.916,  58.881,  22.131)  ( 55.952,  58.916,  22.168)  ( 0.06,  0.06,  0.17)
174:     angle   ( 65.497,  37.697,  49.927)  ( 65.510,  37.710,  49.937)  ( 0.02,  0.04,  0.02)
174:     torsion ( -1.399,  -1.243,   5.820)  ( -1.399,  -1.243,   5.820)  ( 0.00,  0.00,  0.01)
174:     vdw     (  1.013,   2.022,  -0.358)  (  1.013,   2.022,  -0.358)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (-178.441,  56.536, -12.123)  (-178.391,  56.584, -12.076)  ( 0.03,  0.09,  0.39)
174:     bond    (-113.413,  39.694, -12.800)  (-113.376,  39.729, -12.764)  ( 0.03,  0.09,  0.28)
174:     angle   (-63.583,  15.799,   0.304)  (-63.571,  15.813,   0.315)  ( 0.02,  0.08,  0.31)
174:     torsion ( -0.164,  -0.169,   0.725)  ( -0.164,  -0.169,   0.726)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -1.281,   1.211,  -0.352)  ( -1.281,   1.211,  -0.352)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (-309.585, 168.570, -61.479)  (-309.474, 168.656, -61.471)  ( 0.04,  0.05,  0.01)
174:     bond    (-261.125, 204.404, -58.888)  (-261.025, 204.475, -58.884)  ( 0.04,  0.03,  0.01)
174:     angle   (-44.453, -44.369,  -0.417)  (-44.442, -44.354,  -0.417)  ( 0.03,  0.03,  0.01)
174:     torsion (  0.061,  -0.086,  -0.605)  (  0.061,  -0.086,  -0.601)  ( 0.00,  0.00,  0.25)
174:     vdw     ( -4.068,   8.620,  -1.569)  ( -4.068,   8.620,  -1.569)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       ( 43.845, -102.204,  20.477)  ( 43.934, -102.124,  20.483)  ( 0.20,  0.08,  0.03)
174:     bond    (117.722, -98.093,  27.700)  (117.798, -98.025,  27.703)  ( 0.06,  0.07,  0.01)
174:     angle   (-74.835,  -7.801,  -6.628)  (-74.822,  -7.789,  -6.628)  ( 0.02,  0.15,  0.00)
174:     torsion (  0.024,  -0.039,  -0.234)  (  0.024,  -0.039,  -0.230)  ( 0.00,  0.00,  0.08)
174:     vdw     (  2.133,   2.565,  -0.133)  (  2.133,   2.565,  -0.133)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.199,   1.164,  -0.229)  ( -1.199,   1.164,  -0.229)  ( 0.00,  0.00,  0.00)
174: 14       (-36.109, -48.858,   3.417)  (-36.039, -48.759,   3.424)  ( 0.20,  0.20,  0.21)
174:     bond    (-115.278, -76.367,  -0.800)  (-115.221, -76.279,  -0.797)  ( 0.05,  0.11,  0.30)
174:     angle   ( 71.512,  27.575,   3.506)  ( 71.525,  27.586,   3.506)  ( 0.02,  0.04,  0.01)
174:     torsion (  0.015,  -0.022,  -0.148)  (  0.015,  -0.022,  -0.145)  ( 0.00,  0.00,  0.05)
174:     vdw     (  8.156,  -0.533,   0.952)  (  8.157,  -0.533,   0.952)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.515,   0.489,  -0.092)  ( -0.515,   0.489,  -0.092)  ( 0.00,  0.00,  0.00)
174: 15       ( 33.113,  48.660,  -4.041)  ( 33.209,  48.734,  -4.035)  ( 0.29,  0.15,  0.17)
174:     bond    ( 31.105, 131.273, -16.544)  ( 31.189, 131.334, -16.541)  ( 0.27,  0.05,  0.02)
173:     vdw     (-30.693, -11.779,   1.910)  (-30.693, -11.779,   1.910)  ( 0.00,  0.00,  0.00)
173:     electro (  0.336,   0.100,  -0.410)  (  0.336,   0.100,  -0.410)  ( 0.00,  0.00,  0.00)
173: 18       (-10.892,   2.830,   3.149)  (-10.855,   2.865,   3.156)  ( 0.34,  1.22,  0.23)
173:     bond    (-26.108,  11.489,   3.751)  (-26.079,  11.513,   3.752)  ( 0.11,  0.21,  0.02)
173:     angle   ( 17.655,  11.443,  -0.386)  ( 17.663,  11.452,  -0.386)  ( 0.05,  0.08,  0.01)
173:     torsion (  0.023,  -0.004,   0.922)  (  0.023,  -0.004,   0.928)  ( 0.00,  0.00,  0.52)
173:     oop     (  0.054,  -0.057,   0.611)  (  0.054,  -0.057,   0.612)  ( 0.00,  0.00,  0.05)
173:     vdw     ( -2.621, -20.472,  -1.573)  ( -2.621, -20.472,  -1.573)  ( 0.00,  0.00,  0.00)
173:     electro (  0.104,   0.432,  -0.177)  (  0.104,   0.432,  -0.177)  ( 0.00,  0.00,  0.00)
173: 19       ( -6.706,  41.818,   5.067)  ( -6.670,  41.854,   5.074)  ( 0.53,  0.09,  0.14)
173:     bond    ( 14.817,  44.410,   2.107)  ( 14.843,  44.438,   2.107)  ( 0.18,  0.06,  0.02)
173:     angle   (-43.553,  13.281,   5.879)  (-43.544,  13.290,   5.879)  ( 0.02,  0.06,  0.00)
173:     torsion (  0.360,  -0.156,   1.756)  (  0.360,  -0.156,   1.761)  ( 0.00,  0.00,  0.32)
173:     oop     ( -0.056,   0.054,  -0.676)  ( -0.056,   0.054,  -0.675)  ( 0.00,  0.00,  0.05)
173:     vdw     ( 21.895, -15.986,  -3.850)  ( 21.895, -15.985,  -3.850)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.168,   0.214,  -0.149)  ( -0.168,   0.214,  -0.149)  ( 0.00,  0.00,  0.00)
173: 20       ( 33.861, -14.075,  -4.471)  ( 33.896, -14.037,  -4.464)  ( 0.10,  0.27,  0.17)
173:     bond    (-68.040,   7.618,   7.671)  (-68.016,   7.647,   7.672)  ( 0.04,  0.38,  0.01)
173:     angle   ( 76.836, -12.707,  -9.348)  ( 76.845, -12.699,  -9.347)  ( 0.01,  0.06,  0.00)
173:     torsion (  0.614,   0.590,   2.084)  (  0.614,   0.590,   2.090)  ( 0.00,  0.00,  0.27)
173:     oop     ( -0.077,   0.050,  -0.633)  ( -0.077,   0.050,  -0.633)  ( 0.00,  0.00,  0.04)
173:     vdw     ( 24.478,  -9.518,  -4.065)  ( 24.478,  -9.517,  -4.065)  ( 0.00,  0.01,  0.00)
173:     electro (  0.052,  -0.108,  -0.180)  (  0.052,  -0.108,  -0.180)  ( 0.00,  0.00,  0.00)
173: 21       (-75.195, -94.709, -19.957)  (-75.167, -94.680, -19.932)  ( 0.04,  0.03,  0.13)
173:     bond    ( 19.062, -134.756,  15.494)  ( 19.079, -134.736,  15.511)  ( 0.09,  0.02,  0.11)
173:     angle   (-89.681,  26.976, -66.234)  (-89.670,  26.985, -66.227)  ( 0.01,  0.03,  0.01)
173:     torsion ( -3.611,   9.328,  32.657)  ( -3.611,   9.329,  32.658)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.154,   3.733,  -1.804)  ( -1.154,   3.733,  -1.804)  ( 0.01,  0.00,  0.00)
173:     electro (  0.189,   0.010,  -0.070)  (  0.189,   0.010,  -0.070)  ( 0.00,  0.00,  0.00)
173: 22       (-43.849,  35.946,  22.482)  (-43.823,  35.972,  22.509)  ( 0.06,  0.07,  0.12)
173:     bond    ( -1.607,  16.616,   5.991)  ( -1.588,  16.634,   6.010)  ( 1.16,  0.11,  0.31)
173:     angle   (-44.070,  -0.727,  18.021)  (-44.063,  -0.719,  18.029)  ( 0.02,  0.57,  0.05)
173:     torsion (  0.893,  -0.137,   1.141)  (  0.893,  -0.137,   1.141)  ( 0.01,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.119,  19.447,  -1.705)  (  0.119,  19.448,  -1.705)  ( 0.00,  0.00,  0.00)
173:     electro (  0.815,   0.747,  -0.966)  (  0.815,   0.747,  -0.966)  ( 0.00,  0.00,  0.00)
173: 23       ( 40.128,  62.376, -18.735)  ( 40.155,  62.403, -18.709)  ( 0.07,  0.04,  0.14)
173:     bond    (  7.688,  25.680,  -0.842)  (  7.706,  25.698,  -0.823)  ( 0.23,  0.07,  1.60)
173:     angle   ( 45.824,   9.442,  -7.751)  ( 45.832,   9.449,  -7.744)  ( 0.02,  0.08,  0.09)
173:     torsion (  1.073,  -0.468,   3.006)  (  1.073,  -0.468,   3.006)  ( 0.01,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-15.139,  27.642, -12.904)  (-15.139,  27.642, -12.904)  ( 0.00,  0.00,  0.00)
173:     electro (  0.683,   0.081,  -0.245)  (  0.683,   0.081,  -0.245)  ( 0.00,  0.00,  0.00)
174:     angle   ( -1.857, -74.929,  11.143)  ( -1.845, -74.917,  11.143)  ( 0.64,  0.02,  0.00)
174:     torsion (  0.027,  -0.039,  -0.263)  (  0.027,  -0.039,  -0.260)  ( 0.00,  0.00,  0.08)
174:     vdw     (  3.027,  -7.745,   1.526)  (  3.027,  -7.745,   1.526)  ( 0.00,  0.00,  0.00)
174:     electro (  0.811,   0.101,   0.097)  (  0.811,   0.101,   0.097)  ( 0.00,  0.00,  0.00)
174: 16       (121.317,  -1.933,  14.143)  (121.404,  -1.852,  14.149)  ( 0.07,  4.20,  0.04)
174:     bond    (133.239, -68.848,  24.454)  (133.314, -68.779,  24.457)  ( 0.06,  0.10,  0.01)
174:     angle   (-10.468,  68.924, -10.394)  (-10.456,  68.937, -10.394)  ( 0.12,  0.02,  0.00)
174:     torsion (  0.005,  -0.025,  -0.143)  (  0.005,  -0.024,  -0.140)  ( 0.00,  0.00,  0.05)
174:     vdw     ( -2.434,  -2.403,   0.153)  ( -2.434,  -2.403,   0.153)  ( 0.00,  0.00,  0.00)
174:     electro (  0.975,   0.417,   0.073)  (  0.975,   0.417,   0.073)  ( 0.00,  0.00,  0.00)
174: 17       (-325.590, 298.031, -75.555)  (-325.500, 298.136, -75.547)  ( 0.03,  0.04,  0.01)
174:     bond    (-371.855, 211.563, -66.837)  (-371.779, 211.658, -66.833)  ( 0.02,  0.04,  0.01)
174:     angle   ( 55.346,  85.009,  -7.558)  ( 55.360,  85.020,  -7.558)  ( 0.03,  0.01,  0.00)
174:     torsion (  0.036,  -0.026,  -0.174)  (  0.037,  -0.026,  -0.170)  ( 0.00,  0.00,  0.06)
174:     vdw     ( -9.118,   1.484,  -0.986)  ( -9.118,   1.484,  -0.986)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       (164.570, -216.301,  59.167)  (164.657, -216.222,  59.174)  ( 0.05,  0.04,  0.01)
174:     bond    (138.178, -139.130,  38.931)  (138.251, -139.065,  38.934)  ( 0.05,  0.05,  0.01)
174:     angle   ( 25.727, -77.475,  12.790)  ( 25.740, -77.460,  12.791)  ( 0.05,  0.02,  0.00)
174:     torsion ( -0.695,   0.990,   6.900)  ( -0.695,   0.990,   6.903)  ( 0.00,  0.01,  0.04)
174:     vdw     (  2.153,  -5.046,   0.612)  (  2.153,  -5.046,   0.612)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.792,   4.359,  -0.065)  ( -0.792,   4.359,  -0.065)  ( 0.00,  0.00,  0.00)
174: 19       (-965.766, 2663.086, -575.860)  (-965.690, 2663.170, -575.850)  ( 0.01,  0.00,  0.00)
174:     bond    (-1418.917, 2382.703, -443.048)  (-1418.856, 2382.777, -443.040)  ( 0.00,  0.00,  0.00)
174:     angle   (447.095, 281.029, -129.732)  (447.109, 281.038, -129.733)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.024,   0.039,   0.308)  (  0.024,   0.039,   0.309)  ( 0.00,  0.00,  0.05)
174:     vdw     (  6.033,  -0.685,  -3.387)  (  6.033,  -0.685,  -3.387)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (114.232, -437.606,  83.440)  (114.289, -437.539,  83.444)  ( 0.05,  0.02,  0.00)
174:     bond    (358.499, -354.381,  86.813)  (358.545, -354.320,  86.816)  ( 0.01,  0.02,  0.00)
174:     angle   (-245.243, -83.323,  -1.702)  (-245.232, -83.318,  -1.702)  ( 0.00,  0.01,  0.01)
174:     torsion (  0.110,  -0.237,  -1.547)  (  0.110,  -0.237,  -1.546)  ( 0.00,  0.00,  0.07)
174:     vdw     (  0.866,   0.335,  -0.124)  (  0.866,   0.335,  -0.124)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (1412.002, -2219.798, 590.177)  (1412.038, -2219.762, 590.203)  ( 0.00,  0.00,  0.00)
174:     bond    (1625.070, -1930.637, 478.096)  (1625.097, -1930.605, 478.116)  ( 0.00,  0.00,  0.00)
174:     angle   (-197.172, -290.361, 113.648)  (-197.163, -290.357, 113.653)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.078,  -0.157,  -1.123)  (  0.078,  -0.157,  -1.123)  ( 0.00,  0.00,  0.02)
174:     vdw     (-21.130,   1.015,  -0.657)  (-21.129,   1.015,  -0.657)  ( 0.00,  0.00,  0.00)
174:     electro (  5.156,   0.342,   0.213)  (  5.156,   0.342,   0.213)  ( 0.00,  0.00,  0.00)
174: 22       (-366.659, -78.515, -15.951)  (-366.643, -78.496, -15.948)  ( 0.00,  0.02,  0.02)
174:     bond    (-171.955, -219.996, -39.220)  (-171.945, -219.980, -39.219)  ( 0.01,  0.01,  0.00)
174:     angle   (-23.182,  13.743,  24.534)  (-23.181,  13.744,  24.536)  ( 0.01,  0.01,  0.01)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 24       (-35.350,  24.158, -20.842)  (-35.322,  24.186, -20.816)  ( 0.08,  0.12,  0.12)
173:     bond    (-17.074, -20.890,   6.795)  (-17.055, -20.874,   6.814)  ( 0.11,  0.08,  0.28)
173:     angle   (-34.211,  74.889, -31.291)  (-34.202,  74.900, -31.285)  ( 0.03,  0.01,  0.02)
173:     torsion (  0.030,  -0.597,  -2.797)  (  0.030,  -0.597,  -2.797)  ( 0.00,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.941, -29.333,   6.141)  ( 15.941, -29.332,   6.141)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.036,   0.090,   0.311)  ( -0.036,   0.090,   0.311)  ( 0.00,  0.00,  0.00)
173: 25       ( -4.005, -35.757,   9.757)  ( -3.978, -35.729,   9.783)  ( 0.68,  0.08,  0.27)
173:     bond    (-19.308, -21.655,   3.878)  (-19.290, -21.638,   3.896)  ( 0.09,  0.08,  0.48)
173:     angle   (-12.970, -44.781,  10.202)  (-12.962, -44.772,  10.210)  ( 0.07,  0.02,  0.08)
173:     torsion (  0.291,  -1.681,  -0.670)  (  0.291,  -1.681,  -0.669)  ( 0.00,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 28.060,  32.404,  -3.626)  ( 28.061,  32.404,  -3.626)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.078,  -0.042,  -0.027)  ( -0.078,  -0.042,  -0.027)  ( 0.00,  0.00,  0.00)
173: 26       (-12.718,  32.035, -17.139)  (-12.693,  32.063, -17.112)  ( 0.20,  0.09,  0.16)
173:     bond    ( 26.194,  -4.992, -20.042)  ( 26.211,  -4.974, -20.024)  ( 0.06,  0.36,  0.09)
173:     angle   (-34.739,  37.730,  -1.113)  (-34.730,  37.740,  -1.104)  ( 0.02,  0.03,  0.80)
173:     torsion ( -1.357,   1.201,   3.532)  ( -1.357,   1.201,   3.533)  ( 0.00,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.664,  -2.061,  -0.071)  ( -2.664,  -2.061,  -0.071)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.152,   0.156,   0.554)  ( -0.152,   0.156,   0.554)  ( 0.00,  0.00,  0.00)
173: 27       (-21.880, -34.632,  -0.479)  (-21.853, -34.605,  -0.453)  ( 0.12,  0.08,  1.27)
173:     bond    (-14.761,  -7.627,  -1.929)  (-14.743,  -7.610,  -1.910)  ( 0.12,  0.23,  0.95)
173:     angle   (-11.619, -28.651,  -4.838)  (-11.610, -28.642,  -4.830)  ( 0.07,  0.03,  0.16)
173:     torsion (  0.246,  -1.631,   2.532)  (  0.246,  -1.631,   2.532)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.254,   3.276,   3.753)  (  4.254,   3.276,   3.753)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.001,   0.001,   0.002)  ( -0.001,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
173: 28       (-68.563,   7.677,  62.614)  (-68.536,   7.704,  62.641)  ( 0.04,  0.35,  0.04)
173:     bond    ( -6.862,  14.567,  27.689)  ( -6.845,  14.586,  27.706)  ( 0.25,  0.13,  0.06)
173:     angle   (-56.818,  -9.228,  33.605)  (-56.808,  -9.219,  33.614)  ( 0.02,  0.09,  0.03)
173:     torsion ( -0.326,   6.423,   2.908)  ( -0.326,   6.423,   2.908)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.961,  -4.071,  -1.336)  ( -6.960,  -4.071,  -1.336)  ( 0.01,  0.00,  0.00)
173:     electro (  2.404,  -0.015,  -0.252)  (  2.404,  -0.015,  -0.252)  ( 0.00,  0.00,  0.00)
173: 29       ( 97.566,  39.234,  49.639)  ( 97.592,  39.261,  49.667)  ( 0.03,  0.07,  0.06)
173:     bond    ( 38.958,   1.760, -15.397)  ( 38.975,   1.780, -15.379)  ( 0.04,  1.10,  0.12)
173:     angle   ( 47.662,  38.092,  64.344)  ( 47.671,  38.100,  64.354)  ( 0.02,  0.02,  0.01)
173:     torsion ( -0.571,  -2.671,   1.376)  ( -0.571,  -2.671,   1.376)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.548,   2.593,   0.651)  ( 11.548,   2.593,   0.651)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.031,  -0.541,  -1.335)  ( -0.031,  -0.541,  -1.335)  ( 0.00,  0.00,  0.00)
173: 30       (-211.241,   2.375, -460.366)  (-211.218,   2.392, -460.326)  ( 0.01,  0.73,  0.01)
173:     bond    (-93.984, 105.320, -344.512)  (-93.969, 105.332, -344.479)  ( 0.02,  0.01,  0.01)
173:     angle   (-135.067, -96.566, -99.825)  (-135.060, -96.561, -99.819)  ( 0.01,  0.01,  0.01)
174:     vdw     (-160.520, 122.573,  -1.512)  (-160.516, 122.575,  -1.512)  ( 0.00,  0.00,  0.03)
174:     electro (-11.002,   5.165,   0.246)  (-11.002,   5.165,   0.246)  ( 0.00,  0.00,  0.00)
174: 23       (-22.584,  54.833,   6.425)  (-22.566,  54.848,   6.428)  ( 0.08,  0.03,  0.05)
174:     bond    ( 15.086,  13.833,   6.673)  ( 15.101,  13.845,   6.676)  ( 0.09,  0.09,  0.04)
174:     angle   (-45.622,  49.256,   1.036)  (-45.620,  49.258,   1.036)  ( 0.01,  0.01,  0.01)
174:     torsion (  0.047,   0.044,  -0.198)  (  0.047,   0.044,  -0.198)  ( 0.00,  0.00,  0.01)
174:     vdw     (  7.493,  -8.141,  -1.046)  (  7.493,  -8.141,  -1.046)  ( 0.00,  0.00,  0.00)
174:     electro (  0.412,  -0.158,  -0.040)  (  0.412,  -0.158,  -0.040)  ( 0.00,  0.00,  0.00)
174: 24       (-16.608, -19.937, -12.909)  (-16.604, -19.911, -12.905)  ( 0.02,  0.13,  0.03)
174:     bond    ( -3.330, -18.505,   2.198)  ( -3.329, -18.479,   2.198)  ( 0.02,  0.14,  0.01)
174:     angle   (-13.113,  -0.092, -20.627)  (-13.110,  -0.092, -20.624)  ( 0.02,  0.00,  0.02)
174:     torsion (  0.001,  -0.003,  -0.022)  (  0.001,  -0.003,  -0.022)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.167,  -1.338,   5.543)  ( -0.167,  -1.338,   5.543)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       ( 11.683,   5.989,  18.013)  ( 11.692,   5.996,  18.033)  ( 0.07,  0.12,  0.11)
174:     bond    ( 19.057,  11.460,  31.582)  ( 19.064,  11.462,  31.601)  ( 0.03,  0.02,  0.06)
174:     angle   (-13.425,  45.799,  -8.517)  (-13.423,  45.803,  -8.516)  ( 0.02,  0.01,  0.01)
174:     torsion ( -0.014,  -0.022,   0.017)  ( -0.014,  -0.022,   0.017)  ( 0.00,  0.00,  0.00)
174:     vdw     (  6.066, -51.248,  -5.069)  (  6.066, -51.246,  -5.069)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 26       (  0.724, -29.231,  -9.886)  (  0.729, -29.220,  -9.867)  ( 0.37,  0.04,  0.20)
174:     bond    (  4.372,  -9.327, -14.621)  (  4.374,  -9.320, -14.603)  ( 0.04,  0.08,  0.13)
174:     angle   ( -0.345, -31.995,  20.315)  ( -0.342, -31.992,  20.316)  ( 0.13,  0.01,  0.00)
174:     torsion ( -6.009,   0.002,  -1.801)  ( -6.009,   0.002,  -1.801)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.706,  12.090, -13.779)  (  2.706,  12.090, -13.778)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 27       (-25.773,  20.839,  -2.648)  (-25.754,  20.850,  -2.643)  ( 0.07,  0.06,  0.18)
174:     bond    (-26.324,  19.256,  -7.192)  (-26.307,  19.266,  -7.191)  ( 0.07,  0.05,  0.02)
174:     angle   ( -1.773,  -2.324,   0.259)  ( -1.772,  -2.322,   0.263)  ( 0.07,  0.11,  0.09)
174:     torsion (  2.286,   4.628,   4.034)  (  2.286,   4.628,   4.034)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.038,  -0.721,   0.252)  (  0.038,  -0.721,   0.252)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 28       ( 31.717,  10.764,   4.950)  ( 31.735,  10.776,   4.955)  ( 0.06,  0.11,  0.10)
174:     bond    ( 24.691,  19.128,   8.139)  ( 24.707,  19.138,   8.140)  ( 0.07,  0.05,  0.02)
174:     angle   (  4.802,  -5.862,  -0.807)  (  4.803,  -5.860,  -0.803)  ( 0.04,  0.04,  0.26)
174:     torsion (  3.079,  -3.340,  -1.493)  (  3.079,  -3.340,  -1.494)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.855,   0.838,  -0.889)  ( -0.855,   0.838,  -0.889)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 29       ( 17.273,  -9.621,   3.628)  ( 17.287,  -9.611,   3.639)  ( 0.08,  0.11,  0.30)
174:     bond    ( 27.772, -19.828,  22.921)  ( 27.785, -19.821,  22.930)  ( 0.05,  0.03,  0.04)
174:     angle   ( -7.655, -43.113, -27.996)  ( -7.653, -43.111, -27.993)  ( 0.03,  0.01,  0.01)
174:     torsion ( -0.003,   0.001,   0.005)  ( -0.003,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.841,  53.319,   8.698)  ( -2.841,  53.320,   8.698)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 30       (  8.872,   4.980, -31.183)  (  8.880,   4.987, -31.164)  ( 0.10,  0.15,  0.06)
173:     torsion (  3.176,  -4.069,   1.071)  (  3.176,  -4.069,   1.071)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.760,  -1.588,  -9.710)  ( 11.761,  -1.588,  -9.710)  ( 0.00,  0.00,  0.00)
173:     electro (  2.875,  -0.722,  -7.390)  (  2.875,  -0.723,  -7.390)  ( 0.00,  0.00,  0.00)
173: 31       ( 84.573, -65.899, 260.818)  ( 84.577, -65.890, 260.838)  ( 0.00,  0.01,  0.01)
173:     bond    (-23.042, -129.937, 215.320)  (-23.041, -129.929, 215.340)  ( 0.01,  0.01,  0.01)
173:     angle   (104.345,  56.237,  45.097)  (104.348,  56.238,  45.097)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.582,   2.176,   1.144)  ( -1.582,   2.176,   1.144)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.150,   6.735,  -1.246)  (  7.150,   6.735,  -1.246)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.298,  -1.110,   0.503)  ( -2.298,  -1.110,   0.503)  ( 0.00,  0.00,  0.00)
173: 32       (153.921,  45.857, 101.832)  (153.929,  45.858, 101.846)  ( 0.01,  0.00,  0.01)
173:     bond    ( 88.385,   2.775, 131.073)  ( 88.390,   2.774, 131.086)  ( 0.01,  0.02,  0.01)
173:     angle   ( 29.465,  35.231, -20.615)  ( 29.466,  35.233, -20.614)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 40.401,   7.952, -10.988)  ( 40.402,   7.952, -10.988)  ( 0.00,  0.00,  0.00)
173:     electro ( -4.330,  -0.101,   2.362)  ( -4.330,  -0.101,   2.362)  ( 0.00,  0.00,  0.00)
173: 33       ( 34.599,   8.773,  17.015)  ( 34.601,   8.792,  17.029)  ( 0.01,  0.23,  0.09)
173:     bond    ( -0.931,  -0.094,  13.188)  ( -0.931,  -0.076,  13.198)  ( 0.00,  0.17,  0.08)
173:     angle   ( 37.679,  -5.459,   3.706)  ( 37.681,  -5.457,   3.710)  ( 0.01,  0.03,  0.12)
173:     torsion ( -2.198,   0.487,  -0.359)  ( -2.198,   0.487,  -0.359)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.106,  13.218,   8.037)  (  6.106,  13.219,   8.037)  ( 0.01,  0.00,  0.00)
173:     electro ( -6.057,   0.619,  -7.557)  ( -6.057,   0.619,  -7.557)  ( 0.00,  0.00,  0.00)
173: 34       ( 33.130,   5.463, -20.134)  ( 33.150,   5.466, -20.118)  ( 0.06,  0.05,  0.08)
173:     bond    ( 36.819,   7.564, -22.250)  ( 36.835,   7.564, -22.238)  ( 0.04,  0.01,  0.06)
173:     angle   ( 20.113,   0.836, -26.169)  ( 20.115,   0.838, -26.166)  ( 0.01,  0.17,  0.01)
173:     torsion (  0.873,  -4.115,  -0.376)  (  0.873,  -4.115,  -0.376)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-19.554,   7.633,  28.136)  (-19.553,   7.633,  28.136)  ( 0.01,  0.00,  0.00)
173:     electro ( -5.121,  -6.454,   0.526)  ( -5.121,  -6.454,   0.526)  ( 0.00,  0.00,  0.00)
173: 35       ( -1.397,  -2.301,  -2.598)  ( -1.382,  -2.298,  -2.596)  ( 1.02,  0.14,  0.07)
173:     bond    ( -0.207,   0.003,   0.020)  ( -0.193,   0.003,   0.021)  ( 0.30,  0.00,  0.00)
173:     angle   ( -0.154,  -3.078,  -1.048)  ( -0.154,  -3.075,  -1.048)  ( 0.00,  0.10,  0.03)
173:     torsion ( -0.177,   0.616,  -1.738)  ( -0.177,   0.616,  -1.737)  ( 0.00,  0.01,  0.07)
173:     oop     ( -0.010,   0.032,  -0.094)  ( -0.010,   0.032,  -0.094)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.430,   0.011,   0.053)  ( -0.430,   0.011,   0.053)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.419,   0.115,   0.210)  ( -0.419,   0.115,   0.210)  ( 0.00,  0.00,  0.00)
173: 36       ( -3.638,  -2.095,   2.460)  ( -3.633,  -2.084,   2.463)  ( 0.16,  0.52,  0.11)
173:     bond    ( -0.077,   0.125,   0.050)  ( -0.074,   0.135,   0.052)  ( 0.02,  0.13,  0.01)
173:     angle   ( -4.012,  -2.038,  -0.376)  ( -4.009,  -2.037,  -0.376)  ( 0.07,  0.03,  0.00)
173:     torsion (  0.205,  -0.846,   2.500)  (  0.205,  -0.846,   2.501)  ( 0.00,  0.01,  0.05)
173:     oop     ( -0.015,   0.069,  -0.201)  ( -0.015,   0.069,  -0.201)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.199,   0.358,   0.149)  ( -0.199,   0.358,   0.149)  ( 0.00,  0.00,  0.00)
173:     electro (  0.459,   0.237,   0.338)  (  0.459,   0.237,   0.338)  ( 0.00,  0.00,  0.00)
173: 37       ( -2.211,  -0.190,  -2.679)  ( -2.204,  -0.179,  -2.676)  ( 0.31,  0.20,  0.09)
173:     bond    (  0.399,   0.635,   0.185)  (  0.403,   0.645,   0.186)  ( 0.15,  0.62,  0.02)
173:     angle   ( 13.594,  -7.458,  -3.603)  ( 13.596,  -7.457,  -3.603)  ( 0.02,  0.01,  0.01)
173:     torsion (  0.415,  -1.567,   4.535)  (  0.415,  -1.567,   4.536)  ( 0.00,  0.01,  0.03)
173:     oop     (  0.038,  -0.140,   0.405)  (  0.038,  -0.140,   0.406)  ( 0.00,  0.00,  0.00)
173:     vdw     (-17.930,   8.881,  -5.857)  (-17.930,   8.881,  -5.856)  ( 0.00,  0.00,  0.00)
173:     electro (  1.275,  -0.541,   1.656)  (  1.275,  -0.541,   1.656)  ( 0.00,  0.00,  0.00)
173: 38       (  9.311,   1.352,  -6.637)  (  9.316,   1.363,  -6.634)  ( 0.06,  0.81,  0.04)
173:     bond    (  1.512,  -2.888,  -1.076)  (  1.515,  -2.878,  -1.074)  ( 0.19,  0.35,  0.13)
173:     angle   ( 10.740,   5.305,   0.937)  ( 10.743,   5.306,   0.937)  ( 0.03,  0.01,  0.00)
173:     torsion ( -0.305,   1.578,  -4.657)  ( -0.305,   1.578,  -4.656)  ( 0.00,  0.01,  0.03)
173:     oop     ( -0.137,   0.409,  -1.289)  ( -0.137,   0.409,  -1.289)  ( 0.00,  0.00,  0.01)
173:     vdw     ( -1.519,  -2.932,  -0.753)  ( -1.519,  -2.932,  -0.753)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.980,  -0.120,   0.202)  ( -0.980,  -0.120,   0.202)  ( 0.00,  0.00,  0.00)
173: 39       (  1.298,  -0.194,  -7.079)  (  1.305,  -0.183,  -7.077)  ( 0.51,  0.21,  0.03)
173:     bond    ( -0.224,  -0.345,  -0.086)  ( -0.220,  -0.335,  -0.086)  ( 0.09,  0.33,  0.01)
173:     angle   (  2.452,  -1.417,  -0.765)  (  2.455,  -1.417,  -0.765)  ( 0.10,  0.06,  0.02)
173:     torsion ( -0.666,   1.960,  -5.949)  ( -0.666,   1.960,  -5.948)  ( 0.00,  0.01,  0.02)
173:     oop     ( -0.029,   0.088,  -0.271)  ( -0.029,   0.088,  -0.271)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.201,  -0.365,  -0.080)  ( -0.201,  -0.365,  -0.080)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.034,  -0.115,   0.073)  ( -0.034,  -0.115,   0.073)  ( 0.00,  0.00,  0.00)
173: 40       (-27.304,  17.741, -19.481)  (-27.298,  17.750, -19.474)  ( 0.02,  0.05,  0.04)
173:     bond    ( -4.047,   6.668,   5.962)  ( -4.044,   6.676,   5.968)  ( 0.07,  0.12,  0.11)
173:     angle   (-32.259,  -8.720, -12.106)  (-32.256,  -8.719, -12.106)  ( 0.01,  0.00,  0.00)
173:     torsion (  6.889,  17.653, -15.079)  (  6.889,  17.653, -15.078)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.215,  -0.181,   0.385)  (  0.215,  -0.181,   0.385)  ( 0.00,  0.00,  0.00)
173:     electro (  1.899,   2.322,   1.356)  (  1.899,   2.322,   1.356)  ( 0.00,  0.00,  0.00)
173: 41       (-10.604, -14.059,  10.085)  (-10.592, -14.053,  10.085)  ( 0.11,  0.05,  0.01)
173:     bond    ( 13.925,  -8.026,   2.285)  ( 13.936,  -8.022,   2.285)  ( 0.08,  0.04,  0.01)
173:     angle   ( -0.807,  -1.358,   0.155)  ( -0.806,  -1.357,   0.156)  ( 0.04,  0.10,  0.00)
173:     torsion (  0.151,  -0.329,  -2.076)  (  0.151,  -0.329,  -2.076)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-22.770,  -3.334,   8.228)  (-22.769,  -3.333,   8.228)  ( 0.00,  0.04,  0.00)
173:     electro ( -1.103,  -1.013,   1.492)  ( -1.103,  -1.013,   1.492)  ( 0.00,  0.00,  0.00)
173: 42       (  0.370,   6.728,  -6.496)  (  0.381,   6.735,  -6.494)  ( 0.40,  0.11,  0.03)
173:     bond    (-12.221,   8.165,   2.759)  (-12.211,   8.170,   2.760)  ( 0.08,  0.05,  0.02)
173:     angle   ( 12.308,  18.327,   0.205)  ( 12.309,  18.329,   0.205)  ( 0.01,  0.01,  0.00)
173:     torsion ( -2.872,   2.247, -19.362)  ( -2.872,   2.247, -19.361)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.023,   0.017,  -0.155)  ( -0.023,   0.017,  -0.154)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.920, -22.664,   8.579)  (  3.920, -22.664,   8.579)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.741,   0.636,   1.477)  ( -0.741,   0.636,   1.477)  ( 0.00,  0.00,  0.00)
173: 43       ( -2.306,   1.427,   5.607)  ( -2.294,   1.432,   5.609)  ( 0.55,  0.36,  0.03)
173:     bond    ( -0.821,  -0.350,   0.047)  ( -0.809,  -0.347,   0.047)  ( 1.00,  0.08,  0.00)
174:     bond    ( 14.300,  12.483, -24.570)  ( 14.306,  12.488, -24.553)  ( 0.04,  0.04,  0.07)
174:     angle   ( -5.491,  -6.853,  -6.683)  ( -5.488,  -6.850,  -6.681)  ( 0.05,  0.05,  0.02)
174:     torsion ( -0.006,   0.007,   0.000)  ( -0.006,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.068,  -0.657,   0.070)  (  0.068,  -0.657,   0.070)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 31       (-38.803,  21.558,  -3.759)  (-38.796,  21.575,  -3.747)  ( 0.02,  0.08,  0.31)
174:     bond    ( -9.767,  20.602,  16.092)  ( -9.764,  20.617,  16.101)  ( 0.03,  0.07,  0.06)
174:     angle   (-39.187,   1.263, -25.384)  (-39.183,   1.265, -25.382)  ( 0.01,  0.14,  0.01)
174:     torsion (  0.002,  -0.008,   0.011)  (  0.002,  -0.008,   0.011)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 10.149,  -0.299,   5.522)  ( 10.150,  -0.299,   5.522)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 32       ( -1.413, -33.007,  -7.791)  ( -1.399, -32.990,  -7.786)  ( 0.98,  0.05,  0.06)
174:     bond    (-17.356, -19.718,  -3.615)  (-17.344, -19.703,  -3.614)  ( 0.07,  0.08,  0.01)
174:     angle   ( 25.951, -21.946,  -4.917)  ( 25.953, -21.945,  -4.913)  ( 0.01,  0.01,  0.08)
174:     torsion (  0.013,   0.004,  -0.083)  (  0.013,   0.004,  -0.083)  ( 0.00,  0.00,  0.00)
174:     vdw     (-10.021,   8.654,   0.824)  (-10.021,   8.654,   0.824)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 33       ( 14.342,  25.091,  24.049)  ( 14.347,  25.101,  24.069)  ( 0.04,  0.04,  0.08)
174:     bond    ( -8.159,  14.049,  22.197)  ( -8.157,  14.056,  22.215)  ( 0.03,  0.05,  0.08)
174:     angle   ( 25.372,  11.763,   1.871)  ( 25.375,  11.766,   1.872)  ( 0.01,  0.03,  0.07)
174:     torsion ( -0.032,  -0.072,   0.034)  ( -0.032,  -0.072,   0.034)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.839,  -0.649,  -0.052)  ( -2.839,  -0.649,  -0.052)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 34       ( 14.982,  24.879, -21.566)  ( 14.985,  24.891, -21.547)  ( 0.02,  0.05,  0.09)
174:     bond    ( -1.186,  18.722, -25.133)  ( -1.186,  18.732, -25.115)  ( 0.01,  0.05,  0.07)
174:     angle   ( 16.567,   6.266,   3.891)  ( 16.570,   6.268,   3.893)  ( 0.02,  0.04,  0.04)
174:     torsion (  0.018,   0.066,   0.048)  (  0.018,   0.066,   0.048)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.417,  -0.174,  -0.372)  ( -0.417,  -0.174,  -0.372)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 35       (  4.828,   0.430,   0.212)  (  4.842,   0.451,   0.213)  ( 0.29,  0.89,  0.02)
174:     bond    (  1.611,   2.181,  -0.163)  (  1.621,   2.200,  -0.162)  ( 0.63,  0.86,  0.00)
174:     angle   (  3.124,  -2.253,   0.734)  (  3.127,  -2.251,   0.734)  ( 0.12,  0.08,  0.00)
174:     torsion (  0.021,  -0.030,  -0.197)  (  0.021,  -0.030,  -0.196)  ( 0.00,  0.00,  0.02)
174:     vdw     ( -0.881,   1.566,  -0.324)  ( -0.881,   1.566,  -0.324)  ( 0.00,  0.00,  0.00)
174:     electro (  0.953,  -1.035,   0.162)  (  0.953,  -1.035,   0.162)  ( 0.00,  0.00,  0.00)
174: 36       (-38.521,   8.137,  -5.650)  (-38.493,   8.143,  -5.648)  ( 0.07,  0.08,  0.03)
174:     bond    (-41.790,   5.311,  -5.340)  (-41.762,   5.312,  -5.339)  ( 0.07,  0.01,  0.01)
174:     angle   (  0.354,   2.444,  -0.335)  (  0.354,   2.449,  -0.335)  ( 0.00,  0.22,  0.00)
174:     torsion (  0.022,  -0.032,  -0.207)  (  0.022,  -0.032,  -0.206)  ( 0.00,  0.00,  0.01)
174:     vdw     (  2.141,   0.498,   0.160)  (  2.141,   0.498,   0.160)  ( 0.00,  0.01,  0.00)
174:     electro (  0.751,  -0.084,   0.071)  (  0.751,  -0.084,   0.071)  ( 0.00,  0.00,  0.00)
174: 37       (-21.113,  33.562,  -7.402)  (-21.104,  33.587,  -7.401)  ( 0.05,  0.07,  0.03)
174:     bond    (-17.334,  38.426,  -7.733)  (-17.329,  38.450,  -7.732)  ( 0.03,  0.06,  0.01)
174:     angle   ( -3.889,  -1.784,  -0.159)  ( -3.885,  -1.783,  -0.159)  ( 0.12,  0.05,  0.00)
174:     torsion ( -0.003,   0.004,   0.027)  ( -0.003,   0.004,   0.028)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.176,  -2.175,   0.348)  (  0.176,  -2.175,   0.348)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.062,  -0.910,   0.114)  ( -0.062,  -0.910,   0.114)  ( 0.00,  0.00,  0.00)
174: 38       ( -5.431,  -0.451,   0.024)  ( -5.417,  -0.431,   0.025)  ( 0.26,  0.91,  0.00)
174:     bond    ( -1.879,  -2.467,   0.180)  ( -1.868,  -2.448,   0.180)  ( 0.57,  0.74,  0.00)
174:     angle   ( -0.324,   0.244,   0.014)  ( -0.321,   0.246,   0.014)  ( 0.11,  0.05,  0.00)
174:     torsion ( -0.045,   0.066,   0.437)  ( -0.045,   0.066,   0.437)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -1.909,   0.542,  -0.273)  ( -1.909,   0.542,  -0.273)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.274,   1.163,  -0.334)  ( -1.274,   1.163,  -0.334)  ( 0.00,  0.00,  0.00)
174: 39       (204.595, -232.813,  17.423)  (204.607, -232.783,  17.424)  ( 0.01,  0.01,  0.00)
174:     bond    (-25.243, -90.642,   9.182)  (-25.240, -90.615,   9.182)  ( 0.01,  0.03,  0.01)
174:     angle   ( 46.593, -12.125,   8.430)  ( 46.598, -12.125,   8.430)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.323,  -0.400,  -3.056)  (  0.323,  -0.400,  -3.055)  ( 0.00,  0.00,  0.02)
174:     vdw     (176.635, -118.304,   3.193)  (176.640, -118.302,   3.193)  ( 0.00,  0.00,  0.02)
174:     electro (  6.286, -11.341,  -0.326)  (  6.286, -11.341,  -0.326)  ( 0.00,  0.00,  0.00)
174: ok 2 # gradients 
174: ok 3 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       ( 25.189,  13.959,   7.126)  ( 25.262,  14.010,   7.142)  ( 0.29,  0.36,  0.21)
174:     bond    ( 58.080,   0.609,  15.368)  ( 58.147,   0.652,  15.373)  ( 0.12,  2.59,  0.03)
174:     angle   (-33.014,  13.257,  -8.293)  (-33.009,  13.265,  -8.292)  ( 0.02,  0.06,  0.00)
174:     torsion ( -0.007,  -0.001,   0.014)  ( -0.006,  -0.001,   0.024)  ( 0.00,  0.00,  0.01)
174:     vdw     (  0.130,   0.094,   0.037)  (  0.130,   0.094,   0.037)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (-135.053, -156.995, -40.782)  (-134.971, -156.926, -40.765)  ( 0.06,  0.04,  0.04)
174:     bond    (-168.640, -135.476, -48.829)  (-168.564, -135.417, -48.824)  ( 0.04,  0.04,  0.01)
174:     angle   ( 33.577, -21.520,   8.093)  ( 33.584, -21.510,   8.096)  ( 0.02,  0.04,  0.04)
174:     torsion (  0.009,   0.001,  -0.046)  (  0.010,   0.001,  -0.037)  ( 0.00,  0.00,  0.04)
174:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       ( -0.629, -24.659,  -0.927)  ( -0.618, -24.639,  -0.924)  ( 0.65,  0.08,  0.29)
174:     bond    (-10.017, -15.265,  -3.131)  (-10.008, -15.245,  -3.131)  ( 0.08,  0.13,  0.02)
174:     angle   ( 13.893,  -9.812,   3.354)  ( 13.895,  -9.811,   3.354)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.007,  -0.001,   0.024)  ( -0.007,  -0.001,   0.027)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -3.372,   0.340,  -0.879)  ( -3.372,   0.340,  -0.879)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.126,   0.078,  -0.295)  ( -1.126,   0.078,  -0.295)  ( 0.00,  0.00,  0.00)
174:  4       ( 10.334,  23.137,   3.434)  ( 10.342,  23.160,   3.437)  ( 0.08,  0.10,  0.08)
174:     bond    ( -6.152,  11.706,  -1.247)  ( -6.146,  11.728,  -1.247)  ( 0.10,  0.19,  0.02)
174:     angle   ( 19.924,  11.039,   5.614)  ( 19.926,  11.039,   5.614)  ( 0.01,  0.01,  0.00)
174:     torsion (  0.009,   0.001,  -0.036)  (  0.009,   0.001,  -0.033)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -2.908,  -0.086,  -0.770)  ( -2.908,  -0.086,  -0.770)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.539,   0.478,  -0.127)  ( -0.539,   0.478,  -0.127)  ( 0.00,  0.00,  0.00)
174:  5       (  2.550, -33.208,  -0.403)  (  2.558, -33.185,  -0.401)  ( 0.31,  0.07,  0.10)
174:     bond    ( 12.210, -24.825,   2.432)  ( 12.215, -24.802,   2.432)  ( 0.05,  0.09,  0.00)
174:     angle   (-14.826,  -7.709,  -4.160)  (-14.824,  -7.709,  -4.159)  ( 0.01,  0.01,  0.00)
174:     torsion (  0.004,   0.000,  -0.017)  (  0.004,   0.000,  -0.015)  ( 0.00,  0.00,  0.00)
173:     angle   ( -1.083,   2.567,   0.368)  ( -1.083,   2.570,   0.368)  ( 0.05,  0.11,  0.00)
173:     torsion (  0.510,  -0.522,   4.938)  (  0.510,  -0.522,   4.939)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.007,   0.007,  -0.067)  ( -0.007,   0.007,  -0.067)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.522,  -0.099,  -0.057)  ( -0.522,  -0.099,  -0.057)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.384,  -0.177,   0.379)  ( -0.384,  -0.177,   0.379)  ( 0.00,  0.00,  0.00)
173: 44       ( -5.986,  -2.975,   2.681)  ( -5.983,  -2.961,   2.682)  ( 0.06,  0.48,  0.06)
173:     bond    ( -0.296,  -2.388,  -0.213)  ( -0.295,  -2.374,  -0.213)  ( 0.01,  0.59,  0.00)
173:     angle   ( -5.715,   0.653,   0.641)  ( -5.711,   0.653,   0.641)  ( 0.06,  0.00,  0.00)
173:     torsion (  0.220,  -0.241,   2.378)  (  0.220,  -0.241,   2.380)  ( 0.00,  0.00,  0.06)
173:     oop     ( -0.015,   0.016,  -0.163)  ( -0.015,   0.016,  -0.163)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.067,  -0.429,  -0.052)  ( -0.067,  -0.429,  -0.052)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.113,  -0.587,   0.089)  ( -0.113,  -0.587,   0.089)  ( 0.00,  0.00,  0.00)
173: 45       ( -4.994,  -6.103,  -3.487)  ( -4.984,  -6.096,  -3.486)  ( 0.21,  0.12,  0.05)
173:     bond    ( -0.789,   0.563,   0.120)  ( -0.780,   0.568,   0.120)  ( 0.73,  0.28,  0.00)
173:     angle   ( -4.396,  -6.013,  -0.114)  ( -4.395,  -6.011,  -0.114)  ( 0.03,  0.04,  0.00)
173:     torsion ( -0.359,   0.325,  -3.865)  ( -0.359,   0.325,  -3.864)  ( 0.00,  0.00,  0.04)
173:     oop     (  0.031,  -0.024,   0.318)  (  0.031,  -0.024,   0.318)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.303,  -0.582,  -0.053)  (  0.303,  -0.582,  -0.053)  ( 0.00,  0.00,  0.00)
173:     electro (  0.216,  -0.371,   0.107)  (  0.216,  -0.371,   0.107)  ( 0.00,  0.00,  0.00)
173: 46       ( -7.361,  -5.194,  -4.599)  ( -7.348,  -5.189,  -4.597)  ( 0.18,  0.11,  0.03)
173:     bond    (  2.238,   0.795,  -0.211)  (  2.250,   0.797,  -0.210)  ( 0.57,  0.13,  0.00)
173:     angle   (-10.695,  31.175,   3.704)  (-10.695,  31.178,   3.704)  ( 0.00,  0.01,  0.00)
173:     torsion ( -0.176,   0.042,  -1.728)  ( -0.176,   0.042,  -1.727)  ( 0.00,  0.00,  0.08)
173:     oop     (  0.041,  -0.027,   0.336)  (  0.041,  -0.027,   0.336)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.682, -36.672,  -6.719)  (  1.682, -36.671,  -6.719)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.450,  -0.507,   0.018)  ( -0.450,  -0.507,   0.018)  ( 0.00,  0.00,  0.00)
173: 47       (  4.005,  15.631,  18.729)  (  4.010,  15.635,  18.741)  ( 0.12,  0.02,  0.06)
173:     bond    (  9.903,   3.121,  20.511)  (  9.906,   3.121,  20.522)  ( 0.03,  0.01,  0.05)
173:     angle   ( -5.970,  10.337,   1.308)  ( -5.968,  10.340,   1.308)  ( 0.03,  0.03,  0.04)
173:     torsion (  0.647,   3.917,  -0.908)  (  0.647,   3.917,  -0.908)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.318,  -1.545,  -2.238)  ( -0.318,  -1.545,  -2.238)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.257,  -0.199,   0.056)  ( -0.257,  -0.199,   0.056)  ( 0.00,  0.00,  0.00)
173: 48       (  9.842,  10.206,  -5.039)  (  9.854,  10.212,  -5.036)  ( 0.12,  0.05,  0.05)
173:     bond    ( -2.986,  -1.468,  -0.385)  ( -2.974,  -1.465,  -0.385)  ( 0.38,  0.18,  0.01)
173:     angle   ( 10.696, -22.969,   4.762)  ( 10.696, -22.967,   4.764)  ( 0.00,  0.01,  0.05)
173:     torsion (  1.009,  -2.897,   3.227)  (  1.009,  -2.897,   3.227)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.209,  38.024, -13.364)  (  1.209,  38.025, -13.364)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.087,  -0.483,   0.722)  ( -0.087,  -0.483,   0.722)  ( 0.00,  0.00,  0.00)
173: 49       (  4.853,  -4.015,  -5.505)  (  4.856,  -4.013,  -5.491)  ( 0.07,  0.05,  0.24)
173:     bond    ( -1.510,   0.203,  -5.553)  ( -1.509,   0.203,  -5.539)  ( 0.07,  0.00,  0.24)
173:     angle   (  5.932,  -9.411,  -1.962)  (  5.934,  -9.409,  -1.962)  ( 0.04,  0.02,  0.01)
173:     torsion (  1.808,   3.507,  -0.364)  (  1.808,   3.507,  -0.364)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.498,  -0.119,   0.920)  (  3.498,  -0.119,   0.920)  ( 0.00,  0.00,  0.00)
174:     electro (  1.664,  -0.556,   0.422)  (  1.664,  -0.556,   0.422)  ( 0.00,  0.00,  0.00)
174:  6       (117.977, 192.469,  37.516)  (118.027, 192.554,  37.534)  ( 0.04,  0.04,  0.05)
174:     bond    (128.247, 182.517,  39.697)  (128.287, 182.596,  39.700)  ( 0.03,  0.04,  0.01)
174:     angle   (-13.318,   9.894,  -3.023)  (-13.308,   9.900,  -3.010)  ( 0.08,  0.06,  0.43)
174:     torsion ( -0.009,  -0.001,   0.033)  ( -0.009,  -0.001,   0.035)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.057,   0.060,   0.809)  (  3.057,   0.060,   0.809)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       (-20.624, -15.019,  -6.028)  (-20.600, -14.975,  -6.022)  ( 0.12,  0.30,  0.10)
174:     bond    (-13.952, -19.555,  -4.305)  (-13.930, -19.511,  -4.303)  ( 0.16,  0.22,  0.05)
174:     angle   ( -6.267,   4.824,  -1.607)  ( -6.264,   4.826,  -1.603)  ( 0.04,  0.03,  0.25)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.406,  -0.289,  -0.116)  ( -0.406,  -0.289,  -0.116)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 4 # gradients 
174: ok 5 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       ( 19.613,  39.037, -65.938)  ( 19.662,  39.085, -65.888)  ( 0.25,  0.12,  0.07)
174:     bond    ( 35.363,   4.708,  -8.226)  ( 35.398,   4.745,  -8.190)  ( 0.10,  0.78,  0.44)
174:     angle   (-11.879,  31.622, -54.395)  (-11.867,  31.633, -54.382)  ( 0.10,  0.04,  0.02)
174:     torsion ( -0.001,   0.614,   0.357)  ( -0.001,   0.615,   0.357)  ( 0.00,  0.03,  0.01)
174:     vdw     ( -3.869,   2.093,  -3.674)  ( -3.868,   2.093,  -3.674)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (119.205, -77.444, 130.932)  (119.268, -77.418, 130.999)  ( 0.05,  0.03,  0.05)
174:     bond    ( 91.119, -30.475,  52.665)  ( 91.170, -30.454,  52.724)  ( 0.06,  0.07,  0.11)
174:     angle   ( 28.099, -45.486,  79.118)  ( 28.111, -45.483,  79.125)  ( 0.04,  0.01,  0.01)
174:     torsion ( -0.013,  -1.484,  -0.850)  ( -0.013,  -1.481,  -0.849)  ( 0.00,  0.18,  0.08)
174:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       (-73.250, -10.850,  16.560)  (-73.232, -10.836,  16.599)  ( 0.02,  0.13,  0.24)
174:     bond    (-24.487, -24.043,  41.291)  (-24.473, -24.030,  41.330)  ( 0.06,  0.05,  0.09)
174:     angle   (-50.205,  12.814, -22.277)  (-50.201,  12.815, -22.276)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.001,  -0.781,  -0.453)  (  0.001,  -0.780,  -0.453)  ( 0.00,  0.05,  0.01)
174:     vdw     (  0.738,   2.422,  -4.194)  (  0.738,   2.422,  -4.194)  ( 0.01,  0.00,  0.00)
174:     electro (  0.704,  -1.262,   2.192)  (  0.704,  -1.262,   2.192)  ( 0.00,  0.00,  0.00)
174:  4       ( 44.508,  37.050, -48.266)  ( 44.565,  37.070, -48.218)  ( 0.13,  0.05,  0.10)
174:     bond    (-23.001,  31.457, -52.235)  (-22.956,  31.470, -52.196)  ( 0.20,  0.04,  0.07)
174:     angle   ( 65.099,  -0.277,   0.177)  ( 65.110,  -0.275,   0.184)  ( 0.02,  0.07,  0.14)
174:     torsion (  0.043,   6.051,   3.476)  (  0.043,   6.055,   3.477)  ( 0.00,  0.07,  0.04)
174:     vdw     (  2.367,  -0.181,   0.316)  (  2.367,  -0.181,   0.316)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       ( -5.312,  28.754, -58.081)  ( -5.302,  28.761, -58.062)  ( 0.19,  0.03,  0.03)
174:     bond    ( 24.769,  25.591, -45.408)  ( 24.774,  25.597, -45.389)  ( 0.02,  0.02,  0.04)
174:     angle   (-37.301,   8.972, -15.298)  (-37.296,   8.972, -15.297)  ( 0.01,  0.00,  0.00)
174:     torsion ( -0.040,  -3.223,  -1.839)  ( -0.040,  -3.222,  -1.839)  ( 0.00,  0.04,  0.02)
174:     vdw     (  7.168,  -3.099,   5.355)  (  7.168,  -3.099,   5.355)  ( 0.00,  0.00,  0.00)
174:     electro (  0.092,   0.513,  -0.892)  (  0.092,   0.513,  -0.892)  ( 0.00,  0.00,  0.00)
174:  6       (-66.742,  -5.678,   5.781)  (-66.712,  -5.676,   5.785)  ( 0.04,  0.05,  0.08)
174:     bond    (-68.080,  -2.555,   3.484)  (-68.050,  -2.555,   3.485)  ( 0.04,  0.01,  0.01)
174:     angle   (  0.031,  -0.395,   0.321)  (  0.031,  -0.394,   0.324)  ( 0.00,  0.05,  0.12)
174:     torsion (  0.009,  -1.188,  -0.694)  (  0.009,  -1.187,  -0.694)  ( 0.00,  0.08,  0.02)
174:     vdw     (  2.093,  -2.289,   3.970)  (  2.093,  -2.289,   3.971)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.795,   0.749,  -1.300)  ( -0.795,   0.749,  -1.300)  ( 0.00,  0.00,  0.00)
174:  7       (-12.100, -37.172,   8.219)  (-12.095, -37.146,   8.223)  ( 0.04,  0.07,  0.05)
174:     bond    (-10.745, -36.692,   0.762)  (-10.743, -36.666,   0.762)  ( 0.02,  0.07,  0.01)
174:     angle   (  1.275,  -0.185,   9.111)  (  1.278,  -0.185,   9.115)  ( 0.24,  0.00,  0.05)
174:     torsion ( -0.001,   0.000,  -0.007)  ( -0.001,   0.000,  -0.007)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.629,  -0.295,  -1.648)  ( -2.629,  -0.295,  -1.648)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (-12.272,  11.176,  36.423)  (-12.267,  11.185,  36.444)  ( 0.04,  0.08,  0.06)
174:     bond    (-10.895,  17.429,  32.321)  (-10.893,  17.434,  32.341)  ( 0.02,  0.03,  0.06)
174:     angle   (  1.384,  -7.884,   4.714)  (  1.387,  -7.880,   4.715)  ( 0.22,  0.04,  0.03)
174:     torsion (  0.001,  -0.006,   0.003)  (  0.001,  -0.006,   0.003)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.762,   1.636,  -0.616)  ( -2.762,   1.636,  -0.616)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       (-13.893,  14.965, -25.900)  (-13.885,  14.974, -25.882)  ( 0.06,  0.06,  0.07)
174:     bond    (-14.232,  14.453, -24.883)  (-14.227,  14.458, -24.866)  ( 0.04,  0.04,  0.07)
174:     angle   (  3.445,   0.795,  -1.510)  (  3.448,   0.798,  -1.509)  ( 0.08,  0.26,  0.10)
174:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -3.106,  -0.288,   0.489)  ( -3.106,  -0.288,   0.489)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 6 # gradients 
174: ok 7 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (-25.630, -28.431,  14.154)  (-25.582, -28.381,  14.202)  ( 0.19,  0.18,  0.34)
174:     bond    (-19.895,   7.377, -11.925)  (-19.860,   7.414, -11.888)  ( 0.17,  0.50,  0.30)
174:     angle   (-14.896, -48.982,   7.455)  (-14.883, -48.968,   7.466)  ( 0.08,  0.03,  0.15)
174:     torsion ( -5.124,   7.031,  17.238)  ( -5.124,   7.031,  17.239)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 14.285,   6.143,   1.385)  ( 14.285,   6.143,   1.385)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (-128.910, 113.784, -158.185)  (-128.872, 113.809, -158.176)  ( 0.03,  0.02,  0.01)
174:     bond    (-121.810, -58.450, -11.109)  (-121.773, -58.436, -11.104)  ( 0.03,  0.02,  0.05)
174:     angle   (-22.250, 193.608, -95.414)  (-22.250, 193.620, -95.412)  ( 0.00,  0.01,  0.00)
174:     torsion ( 15.151, -21.375, -51.661)  ( 15.151, -21.375, -51.660)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       ( 25.701, -34.004, -11.496)  ( 25.706, -33.978, -11.492)  ( 0.02,  0.08,  0.04)
174:     bond    ( -1.395, -30.167,  -5.745)  ( -1.395, -30.140,  -5.745)  ( 0.01,  0.09,  0.01)
174:     angle   (-26.840,   0.424,   4.286)  (-26.837,   0.424,   4.289)  ( 0.01,  0.01,  0.09)
174:     torsion (  8.044,   1.903, -11.939)  (  8.044,   1.903, -11.939)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.168,   2.278,   2.124)  ( -1.168,   2.278,   2.124)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.210,  -0.592,   0.251)  ( -0.210,  -0.592,   0.251)  ( 0.00,  0.00,  0.00)
173: 50       (  6.321, -10.163,   5.748)  (  6.324, -10.150,   5.751)  ( 0.05,  0.13,  0.05)
173:     bond    (  2.117, -12.995,   3.296)  (  2.118, -12.982,   3.297)  ( 0.02,  0.10,  0.03)
173:     angle   ( 23.690,   2.886,  -3.858)  ( 23.692,   2.886,  -3.856)  ( 0.01,  0.01,  0.06)
173:     torsion ( -2.667,  -1.040,  -2.383)  ( -2.667,  -1.040,  -2.383)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-16.674,   1.224,   8.402)  (-16.674,   1.224,   8.402)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.144,  -0.238,   0.291)  ( -0.144,  -0.238,   0.291)  ( 0.00,  0.00,  0.00)
173: 51       (-11.159,   0.824,   1.383)  (-11.152,   0.828,   1.391)  ( 0.07,  0.31,  0.61)
173:     bond    (  1.143,  -0.477,  -1.327)  (  1.148,  -0.476,  -1.320)  ( 0.50,  0.05,  0.56)
173:     angle   (  5.083, -23.043,  12.744)  (  5.085, -23.041,  12.745)  ( 0.03,  0.01,  0.01)
173:     torsion (  1.056,  -0.829,   1.218)  (  1.056,  -0.829,   1.218)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-18.079,  25.401, -11.494)  (-18.079,  25.401, -11.494)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.361,  -0.226,   0.242)  ( -0.361,  -0.226,   0.242)  ( 0.00,  0.00,  0.00)
173: 52       (  1.887, -12.873,   2.635)  (  1.891, -12.862,   2.638)  ( 0.25,  0.09,  0.13)
173:     bond    (  5.865, -12.571,   4.407)  (  5.867, -12.561,   4.409)  ( 0.04,  0.08,  0.03)
173:     angle   (-16.261,  -5.126,   7.034)  (-16.259,  -5.126,   7.035)  ( 0.01,  0.01,  0.03)
173:     torsion (  0.084,  -0.277,  -0.902)  (  0.084,  -0.277,  -0.902)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 12.154,   5.201,  -8.000)  ( 12.154,   5.201,  -7.999)  ( 0.00,  0.00,  0.00)
173:     electro (  0.045,  -0.099,   0.095)  (  0.045,  -0.099,   0.095)  ( 0.00,  0.00,  0.00)
173: 53       ( -4.015,  -6.216,  -4.357)  ( -4.010,  -6.213,  -4.346)  ( 0.14,  0.05,  0.25)
173:     bond    ( -2.836,  -1.117,  -4.722)  ( -2.832,  -1.116,  -4.712)  ( 0.13,  0.05,  0.21)
173:     angle   (  3.989, -18.137,   1.897)  (  3.991, -18.135,   1.898)  ( 0.04,  0.01,  0.04)
173:     torsion ( -0.395,   0.435,   0.134)  ( -0.395,   0.435,   0.134)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.529,  12.962,  -1.841)  ( -4.529,  12.962,  -1.841)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.244,  -0.358,   0.175)  ( -0.244,  -0.358,   0.175)  ( 0.00,  0.00,  0.00)
173: 54       ( 22.763,   4.803,  12.149)  ( 22.766,   4.808,  12.161)  ( 0.01,  0.10,  0.10)
173:     bond    (  0.180,   1.829,  -4.169)  (  0.180,   1.831,  -4.157)  ( 0.00,  0.12,  0.28)
173:     angle   (  0.722,  24.102,  10.649)  (  0.724,  24.104,  10.649)  ( 0.19,  0.01,  0.00)
173:     torsion (  0.581,   0.985,   0.459)  (  0.581,   0.985,   0.459)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 21.197, -22.786,   4.730)  ( 21.197, -22.785,   4.730)  ( 0.00,  0.00,  0.00)
173:     electro (  0.083,   0.673,   0.480)  (  0.083,   0.673,   0.480)  ( 0.00,  0.00,  0.00)
173: 55       ( 21.127,   4.033,  -4.874)  ( 21.130,   4.041,  -4.866)  ( 0.01,  0.21,  0.16)
173:     bond    (  0.015,  -0.237,  -0.235)  (  0.015,  -0.230,  -0.228)  ( 0.00,  0.17,  0.16)
173:     angle   ( 17.782,  11.471, -10.444)  ( 17.784,  11.472, -10.444)  ( 0.01,  0.01,  0.01)
173:     torsion ( -0.521,  -0.663,   0.636)  ( -0.521,  -0.663,   0.636)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.327,  -6.987,   3.715)  (  2.327,  -6.987,   3.715)  ( 0.01,  0.00,  0.00)
173:     electro (  1.525,   0.449,   1.454)  (  1.525,   0.449,   1.454)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 45.892,  -6.165,   1.903)  ( 45.893,  -6.165,   1.903)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       ( 29.422,  24.486,   0.356)  ( 29.443,  24.493,   0.363)  ( 0.07,  0.03,  0.25)
174:     bond    ( 29.102,  11.932, -12.746)  ( 29.123,  11.935, -12.742)  ( 0.07,  0.03,  0.03)
174:     angle   (  0.008,   2.865,   2.705)  (  0.009,   2.868,   2.708)  ( 0.00,  0.12,  0.12)
174:     torsion (  0.559,   9.747,  10.407)  (  0.559,   9.747,  10.407)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.248,  -0.058,  -0.010)  ( -0.248,  -0.058,  -0.010)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-14.201, -18.014,  39.388)  (-14.197, -18.010,  39.416)  ( 0.02,  0.02,  0.07)
174:     bond    ( -0.398,   5.832,  34.590)  ( -0.398,   5.833,  34.617)  ( 0.01,  0.01,  0.08)
174:     angle   ( -6.363, -12.617,   2.052)  ( -6.359, -12.613,   2.052)  ( 0.05,  0.03,  0.01)
174:     torsion ( -8.696, -11.525,   1.842)  ( -8.696, -11.525,   1.842)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.256,   0.295,   0.904)  (  1.256,   0.295,   0.904)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (189.902, -122.303, 155.949)  (189.974, -122.252, 155.970)  ( 0.04,  0.04,  0.01)
174:     bond    (103.167,  13.570,  25.866)  (103.234,  13.611,  25.884)  ( 0.06,  0.30,  0.07)
174:     angle   (105.259, -154.157,  97.805)  (105.264, -154.146,  97.807)  ( 0.00,  0.01,  0.00)
174:     torsion (-10.098,  14.460,  34.616)  (-10.098,  14.460,  34.618)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -8.426,   3.824,  -2.338)  ( -8.426,   3.824,  -2.338)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       ( 28.297,  20.835,   1.996)  ( 28.342,  20.848,   2.008)  ( 0.16,  0.06,  0.60)
174:     bond    ( 12.873,  -5.976,   6.570)  ( 12.917,  -5.967,   6.582)  ( 0.34,  0.16,  0.18)
174:     angle   ( 15.468,  26.087,  -6.706)  ( 15.469,  26.090,  -6.706)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.587,   0.850,   1.922)  ( -0.587,   0.850,   1.922)  ( 0.00,  0.01,  0.02)
174:     vdw     (  0.543,  -0.126,   0.210)  (  0.543,  -0.126,   0.210)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (-104.818,  43.447, -42.297)  (-104.813,  43.471, -42.291)  ( 0.00,  0.06,  0.01)
174:     bond    ( -1.848,  55.726, -25.609)  ( -1.848,  55.750, -25.603)  ( 0.02,  0.04,  0.02)
174:     angle   (-50.415,  -7.276, -12.204)  (-50.413,  -7.275, -12.204)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.751,  -1.091,  -2.429)  (  0.751,  -1.091,  -2.429)  ( 0.00,  0.01,  0.01)
174:     vdw     (-53.305,  -3.913,  -2.055)  (-53.304,  -3.913,  -2.055)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 8 # gradients 
174: ok 9 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (105.440, -149.985, 260.331)  (105.486, -149.942, 260.360)  ( 0.04,  0.03,  0.01)
174:     bond    (105.838, -149.765, 260.004)  (105.879, -149.728, 260.027)  ( 0.04,  0.02,  0.01)
174:     angle   ( -0.389,  -0.217,   0.334)  ( -0.384,  -0.211,   0.340)  ( 0.21,  0.12,  0.21)
174:     torsion ( -0.009,  -0.003,  -0.007)  ( -0.009,  -0.003,  -0.007)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (-90.439,   1.612,  -3.158)  (-90.384,   1.663,  -3.108)  ( 0.06,  3.15,  1.59)
174:     bond    (-96.521,  -0.000,   0.010)  (-96.477,   0.040,   0.049)  ( 0.05,  0.00,  0.04)
174:     angle   (  0.198,  -0.177,  -0.044)  (  0.210,  -0.166,  -0.033)  ( 0.22,  0.20,  0.05)
174:     torsion ( -0.000,   0.004,  -0.001)  (  0.000,   0.004,  -0.002)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.883,   1.786,  -3.123)  (  5.883,   1.786,  -3.122)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       ( 17.766,  85.074,  -3.307)  ( 17.818,  85.129,  -3.256)  ( 0.29,  0.06,  1.52)
174:     bond    ( 31.918,  90.924,  -0.196)  ( 31.958,  90.967,  -0.157)  ( 0.13,  0.05,  0.78)
174:     angle   ( -0.248,  -0.340,  -0.003)  ( -0.237,  -0.328,   0.008)  ( 0.28,  0.38,  0.00)
174:     torsion (  0.004,  -0.001,   0.009)  (  0.004,  -0.001,   0.009)  ( 0.00,  0.00,  0.00)
174:     vdw     (-13.908,  -5.509,  -3.117)  (-13.907,  -5.509,  -3.117)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       ( 17.700, -39.682, -75.828)  ( 17.751, -39.631, -75.775)  ( 0.29,  0.13,  0.07)
174:     bond    ( 32.121, -45.510, -79.026)  ( 32.161, -45.470, -78.984)  ( 0.12,  0.09,  0.05)
174:     angle   ( -0.358,   0.352,  -0.032)  ( -0.347,   0.363,  -0.021)  ( 0.40,  0.38,  0.03)
174:     torsion ( -0.001,   0.004,  -0.002)  ( -0.001,   0.004,  -0.002)  ( 0.00,  0.00,  0.00)
174:     vdw     (-14.062,   5.472,   3.232)  (-14.062,   5.473,   3.232)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-44.578, 218.066,   0.111)  (-44.571, 218.092,   0.116)  ( 0.02,  0.01,  0.05)
174:     bond    (-74.014, 208.993,  -0.001)  (-74.010, 209.018,   0.000)  ( 0.01,  0.01,  0.00)
174:     angle   ( -0.340,  -0.120,  -0.061)  ( -0.338,  -0.120,  -0.057)  ( 0.09,  0.00,  0.02)
174:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 29.776,   9.193,   0.174)  ( 29.777,   9.193,   0.174)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (-74.306, -104.570, 181.478)  (-74.299, -104.561, 181.498)  ( 0.01,  0.01,  0.01)
174:     bond    (-73.876, -104.552, 181.024)  (-73.872, -104.545, 181.043)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.043,   0.173,   0.119)  (  0.046,   0.176,   0.120)  ( 0.01,  0.05,  0.01)
174:     torsion ( -0.000,   0.002,   0.001)  (  0.000,   0.002,   0.001)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.473,  -0.193,   0.334)  ( -0.473,  -0.193,   0.334)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       (-43.647, -109.104, -189.246)  (-43.639, -109.094, -189.226)  ( 0.02,  0.01,  0.01)
174:     bond    (-73.841, -104.519, -181.111)  (-73.837, -104.512, -181.092)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.080,   0.216,  -0.161)  (  0.083,   0.219,  -0.160)  ( 0.02,  0.06,  0.02)
174:     torsion ( -0.000,  -0.003,   0.002)  (  0.000,  -0.003,   0.002)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 30.115,  -4.798,  -7.975)  ( 30.116,  -4.798,  -7.975)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (221.220,  -6.123,  -3.930)  (221.248,  -6.119,  -3.925)  ( 0.01,  0.07,  0.12)
174:     bond    (221.839,  -0.001,  -0.001)  (221.867,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
174:     angle   ( -0.000,   0.445,  -0.090)  (  0.000,   0.448,  -0.086)  ( 0.00,  0.13,  0.03)
174:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.619,  -6.567,  -3.838)  ( -0.619,  -6.567,  -3.838)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       (-82.802,  99.667, 177.060)  (-82.795,  99.677, 177.080)  ( 0.01,  0.01,  0.01)
174:     bond    (-73.876, 104.538, 181.024)  (-73.872, 104.545, 181.043)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.231,  -0.092,   0.146)  (  0.235,  -0.090,   0.148)  ( 0.07,  0.02,  0.02)
174:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -9.158,  -4.779,  -4.111)  ( -9.158,  -4.778,  -4.111)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 10       (-82.262,  92.018, -179.835)  (-82.254,  92.027, -179.815)  ( 0.01,  0.01,  0.01)
174:     bond    (-73.757, 104.367, -180.905)  (-73.753, 104.374, -180.886)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.291,  -0.136,  -0.198)  (  0.295,  -0.133,  -0.197)  ( 0.09,  0.03,  0.02)
174:     torsion (  0.003,  -0.001,  -0.002)  (  0.003,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -8.798, -12.213,   1.270)  ( -8.798, -12.212,   1.270)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (221.224,   6.299,   3.345)  (221.252,   6.304,   3.350)  ( 0.01,  0.08,  0.13)
174:     bond    (221.840,  -0.059,  -0.118)  (221.868,  -0.058,  -0.117)  ( 0.01,  0.01,  0.01)
174:     angle   ( -0.000,  -0.255,  -0.307)  ( -0.000,  -0.251,  -0.304)  ( 0.00,  0.09,  0.10)
174:     torsion ( -0.000,   0.003,  -0.002)  ( -0.000,   0.003,  -0.002)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.616,   6.610,   3.772)  ( -0.616,   6.610,   3.772)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (-82.670, 109.687, -169.760)  (-82.663, 109.697, -169.740)  ( 0.01,  0.01,  0.01)
174:     bond    (-73.962, 104.530, -181.062)  (-73.958, 104.537, -181.043)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.196,   0.175,   0.020)  (  0.200,   0.178,   0.021)  ( 0.06,  0.05,  0.00)
174:     torsion ( -0.004,  -0.003,   0.000)  ( -0.004,  -0.002,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -8.901,   4.984,  11.282)  ( -8.901,   4.984,  11.282)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       (-82.957, -203.268,   2.436)  (-82.949, -203.243,   2.441)  ( 0.01,  0.01,  0.17)
174:     bond    (-73.956, -209.192,   0.116)  (-73.952, -209.167,   0.117)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.236,  -0.085,   0.219)  (  0.240,  -0.085,   0.222)  ( 0.08,  0.00,  0.07)
174:     torsion (  0.006,  -0.002,   0.004)  (  0.006,  -0.002,   0.004)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -9.243,   6.011,   2.098)  ( -9.243,   6.012,   2.098)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 10 # gradients 
174: ok 11 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (-352.758, 498.355, -863.403)  (-352.737, 498.374, -863.393)  ( 0.01,  0.00,  0.00)
174:     bond    (-352.351, 498.577, -863.775)  (-352.336, 498.590, -863.772)  ( 0.00,  0.00,  0.00)
174:     angle   ( -0.390,  -0.216,   0.386)  ( -0.384,  -0.210,   0.392)  ( 0.22,  0.13,  0.25)
174:     torsion ( -0.018,  -0.006,  -0.014)  ( -0.017,  -0.006,  -0.013)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (1285.827,   1.609,  -3.175)  (1285.867,   1.655,  -3.129)  ( 0.00,  2.87,  1.44)
174:     bond    (1279.745,   0.004,   0.014)  (1279.774,   0.040,   0.049)  ( 0.00,  0.02,  0.05)
174:     angle   (  0.198,  -0.189,  -0.064)  (  0.210,  -0.178,  -0.053)  ( 0.22,  0.21,  0.07)
174:     torsion ( -0.000,   0.008,  -0.003)  (  0.000,   0.008,  -0.003)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.883,   1.786,  -3.123)  (  5.883,   1.786,  -3.122)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       (-441.622, -1212.197,  -3.313)  (-441.575, -1212.156,  -3.266)  ( 0.01,  0.00,  1.39)
174:     bond    (-427.484, -1206.342,  -0.192)  (-427.450, -1206.312,  -0.157)  ( 0.01,  0.00,  0.67)
174:     angle   ( -0.237,  -0.343,  -0.023)  ( -0.226,  -0.332,  -0.012)  ( 0.27,  0.39,  0.02)
174:     torsion (  0.008,  -0.003,   0.019)  (  0.008,  -0.003,   0.019)  ( 0.00,  0.00,  0.00)
174:     vdw     (-13.908,  -5.509,  -3.117)  (-13.907,  -5.509,  -3.117)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (-440.935, 609.305, 1047.967)  (-440.889, 609.350, 1048.009)  ( 0.01,  0.01,  0.00)
174:     bond    (-426.503, 603.459, 1044.784)  (-426.468, 603.492, 1044.815)  ( 0.01,  0.01,  0.00)
174:     angle   ( -0.369,   0.367,  -0.045)  ( -0.358,   0.378,  -0.034)  ( 0.42,  0.40,  0.05)
174:     torsion ( -0.002,   0.007,  -0.005)  ( -0.001,   0.007,  -0.005)  ( 0.00,  0.00,  0.00)
174:     vdw     (-14.062,   5.472,   3.232)  (-14.062,   5.473,   3.232)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-44.578, 218.066,   0.111)  (-44.571, 218.092,   0.115)  ( 0.02,  0.01,  0.05)
174:     bond    (-74.014, 208.993,  -0.001)  (-74.010, 209.018,   0.000)  ( 0.01,  0.01,  0.00)
174:     angle   ( -0.340,  -0.120,  -0.061)  ( -0.338,  -0.120,  -0.057)  ( 0.09,  0.00,  0.02)
174:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 29.776,   9.193,   0.174)  ( 29.777,   9.193,   0.174)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (-74.306, -104.569, 181.479)  (-74.299, -104.559, 181.499)  ( 0.01,  0.01,  0.01)
174:     bond    (-73.876, -104.552, 181.024)  (-73.872, -104.545, 181.043)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.043,   0.173,   0.119)  (  0.046,   0.176,   0.120)  ( 0.01,  0.05,  0.01)
174:     torsion ( -0.000,   0.003,   0.002)  (  0.000,   0.003,   0.002)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.473,  -0.193,   0.334)  ( -0.473,  -0.193,   0.334)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       (-43.647, -109.106, -189.244)  (-43.639, -109.096, -189.224)  ( 0.02,  0.01,  0.01)
174:     bond    (-73.841, -104.519, -181.111)  (-73.837, -104.512, -181.092)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.080,   0.216,  -0.161)  (  0.083,   0.219,  -0.160)  ( 0.02,  0.06,  0.02)
174:     torsion ( -0.000,  -0.005,   0.003)  (  0.000,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 30.115,  -4.798,  -7.975)  ( 30.116,  -4.798,  -7.975)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (221.220,  -6.123,  -3.930)  (221.248,  -6.119,  -3.925)  ( 0.01,  0.07,  0.13)
174:     bond    (221.839,  -0.001,  -0.001)  (221.867,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
174:     angle   ( -0.000,   0.445,  -0.090)  (  0.000,   0.448,  -0.086)  ( 0.00,  0.13,  0.03)
174:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.619,  -6.567,  -3.838)  ( -0.619,  -6.567,  -3.838)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       (-82.802,  99.667, 177.060)  (-82.795,  99.677, 177.080)  ( 0.01,  0.01,  0.01)
174:     bond    (-73.876, 104.538, 181.024)  (-73.872, 104.545, 181.043)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.231,  -0.092,   0.146)  (  0.235,  -0.090,   0.148)  ( 0.07,  0.02,  0.02)
174:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -9.158,  -4.779,  -4.111)  ( -9.158,  -4.778,  -4.111)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 10       (-82.259,  92.017, -179.837)  (-82.251,  92.026, -179.817)  ( 0.01,  0.01,  0.01)
174:     bond    (-73.757, 104.367, -180.905)  (-73.753, 104.374, -180.886)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.291,  -0.136,  -0.198)  (  0.295,  -0.133,  -0.197)  ( 0.09,  0.03,  0.02)
174:     torsion (  0.006,  -0.002,  -0.003)  (  0.006,  -0.002,  -0.003)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -8.798, -12.213,   1.270)  ( -8.798, -12.212,   1.270)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (221.224,   6.302,   3.343)  (221.252,   6.307,   3.348)  ( 0.01,  0.08,  0.13)
174:     bond    (221.840,  -0.059,  -0.118)  (221.868,  -0.058,  -0.117)  ( 0.01,  0.01,  0.01)
174:     angle   ( -0.000,  -0.255,  -0.307)  ( -0.000,  -0.251,  -0.304)  ( 0.00,  0.09,  0.10)
173: 56       (  3.908,   1.796, -13.266)  (  3.911,   1.802, -13.254)  ( 0.08,  0.30,  0.09)
173:     bond    (  0.874,   8.800, -15.941)  (  0.874,   8.804, -15.930)  ( 0.01,  0.04,  0.07)
173:     angle   ( -5.575,  -7.591,  -4.500)  ( -5.572,  -7.589,  -4.500)  ( 0.04,  0.02,  0.01)
173:     torsion (  1.423,  -0.373,  -0.128)  (  1.423,  -0.373,  -0.128)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.032,   0.080,   6.647)  (  7.033,   0.080,   6.647)  ( 0.01,  0.00,  0.00)
173:     electro (  0.153,   0.879,   0.657)  (  0.153,   0.879,   0.657)  ( 0.00,  0.00,  0.00)
173: 57       ( -0.993,   9.172,   6.879)  ( -0.990,   9.180,   6.888)  ( 0.32,  0.09,  0.12)
173:     bond    ( -0.691,  10.301,  11.010)  ( -0.691,  10.308,  11.018)  ( 0.01,  0.06,  0.07)
173:     angle   (  1.902,  -2.517,   2.472)  (  1.905,  -2.516,   2.473)  ( 0.13,  0.04,  0.04)
173:     torsion ( -1.228,   1.073,  -1.081)  ( -1.228,   1.073,  -1.081)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.546,   0.031,  -5.692)  ( -0.545,   0.031,  -5.692)  ( 0.03,  0.00,  0.00)
173:     electro ( -0.430,   0.284,   0.170)  ( -0.430,   0.284,   0.170)  ( 0.00,  0.00,  0.00)
173: 58       ( -3.180, -10.598,   1.768)  ( -3.177, -10.591,   1.778)  ( 0.08,  0.07,  0.56)
173:     bond    ( -0.166,  -6.219,   7.992)  ( -0.166,  -6.213,   8.001)  ( 0.00,  0.09,  0.11)
173:     angle   ( -4.819,  -4.069,  -3.260)  ( -4.816,  -4.067,  -3.259)  ( 0.05,  0.04,  0.03)
173:     torsion (  1.374,  -1.374,  -1.038)  (  1.374,  -1.374,  -1.038)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.903,   1.531,  -0.692)  (  0.903,   1.531,  -0.692)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.471,  -0.467,  -1.234)  ( -0.471,  -0.467,  -1.234)  ( 0.00,  0.00,  0.00)
173: 59       ( -1.672,  -1.065, -14.649)  ( -1.669,  -1.057, -14.640)  ( 0.19,  0.73,  0.06)
173:     bond    (  1.255,  11.287, -12.325)  (  1.255,  11.294, -12.318)  ( 0.01,  0.06,  0.06)
173:     angle   ( -0.945,   0.841,   0.675)  ( -0.942,   0.842,   0.676)  ( 0.24,  0.09,  0.06)
173:     torsion (  2.095,  -1.868,  -1.500)  (  2.095,  -1.868,  -1.500)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.139, -11.853,  -2.429)  ( -4.138, -11.853,  -2.428)  ( 0.01,  0.00,  0.00)
173:     electro (  0.062,   0.529,   0.929)  (  0.062,   0.529,   0.929)  ( 0.00,  0.00,  0.00)
173: 60       (  4.180,   0.851,  15.801)  (  4.183,   0.856,  15.812)  ( 0.08,  0.44,  0.07)
173:     bond    (  1.295,   8.702,  15.115)  (  1.295,   8.705,  15.125)  ( 0.01,  0.04,  0.07)
173:     angle   ( 15.182,  -5.824,   2.050)  ( 15.184,  -5.823,   2.051)  ( 0.02,  0.03,  0.02)
173:     torsion ( -1.577,   2.708,  -1.424)  ( -1.577,   2.708,  -1.424)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-10.178,  -4.507,  -0.246)  (-10.177,  -4.507,  -0.246)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.543,  -0.228,   0.305)  ( -0.543,  -0.228,   0.305)  ( 0.00,  0.00,  0.00)
173: 61       ( -3.607, -11.430, -21.611)  ( -3.604, -11.416, -21.608)  ( 0.08,  0.11,  0.02)
173:     bond    (  0.549,  -8.292,   2.402)  (  0.549,  -8.280,   2.403)  ( 0.01,  0.16,  0.05)
173:     angle   ( -2.924,  -5.064, -16.780)  ( -2.921,  -5.064, -16.778)  ( 0.08,  0.00,  0.01)
173:     torsion ( -0.304,  -2.407,  -8.223)  ( -0.304,  -2.407,  -8.223)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.536,   3.527,   1.222)  ( -1.536,   3.527,   1.222)  ( 0.02,  0.00,  0.00)
173:     electro (  0.607,   0.806,  -0.231)  (  0.607,   0.806,  -0.231)  ( 0.00,  0.00,  0.00)
173: 62       (-13.552,   3.271,  -1.933)  (-13.548,   3.282,  -1.929)  ( 0.02,  0.35,  0.23)
173:     bond    ( -3.163,  10.307,  -4.939)  ( -3.162,  10.318,  -4.937)  ( 0.03,  0.10,  0.05)
173:     angle   ( -7.456,   1.314,   7.520)  ( -7.454,   1.314,   7.522)  ( 0.03,  0.04,  0.03)
173:     torsion ( -2.471,  -0.439,   0.665)  ( -2.471,  -0.439,   0.665)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.193,  -8.816,  -5.036)  ( -1.193,  -8.816,  -5.036)  ( 0.01,  0.00,  0.00)
173:     electro (  0.732,   0.904,  -0.144)  (  0.732,   0.904,  -0.144)  ( 0.00,  0.00,  0.00)
173: 63       ( -1.642,   0.072,   7.768)  ( -1.638,   0.075,   7.781)  ( 0.26,  0.02,  0.16)
173:     bond    (  3.501,   1.811,   9.381)  (  3.502,   1.811,   9.393)  ( 0.05,  0.03,  0.13)
173:     angle   (-11.516,   2.354,   3.839)  (-11.514,   2.356,   3.839)  ( 0.02,  0.09,  0.01)
173:     torsion (  1.522,   1.177,  -0.795)  (  1.522,   1.177,  -0.795)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.241,  -6.128,  -4.764)  (  3.241,  -6.128,  -4.764)  ( 0.01,  0.00,  0.00)
173:     electro (  1.610,   0.859,   0.107)  (  1.610,   0.859,   0.107)  ( 0.00,  0.00,  0.00)
173: 64       (  3.493,   9.960,   4.207)  (   -nan,    -nan,    -nan)  (  nan,   nan,   nan)
173:     bond    (  0.723,   7.398,  -1.973)  (  0.723,   7.412,  -1.972)  ( 0.01,  0.19,  0.05)
173:     angle   ( -0.023,   0.127,   0.468)  ( -0.023,   0.127,   0.470)  ( 0.00,  0.00,  0.09)
173:     torsion (  1.495,  -0.118,   0.105)  (  1.495,  -0.118,   0.105)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (   -nan,    -nan,    -nan)  (  nan,   nan,   nan)
173:     electro (  1.298,   2.553,   5.608)  (  1.298,   2.553,   5.608)  ( 0.00,  0.00,  0.00)
173: 65       (-32.705,   0.634,  27.276)  (   -nan,    -nan,    -nan)  (  nan,   nan,   nan)
173:     bond    (-43.371,  -7.007,   0.973)  (-43.356,  -7.006,   0.974)  ( 0.03,  0.01,  0.02)
173:     angle   (  0.668,  -1.382,  19.777)  (  0.668,  -1.382,  19.779)  ( 0.00,  0.00,  0.01)
173:     torsion ( -0.829,   5.186,   0.390)  ( -0.829,   5.186,   0.390)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (   -nan,    -nan,    -nan)  (  nan,   nan,   nan)
173:     electro ( 10.828,   3.837,   6.135)  ( 10.828,   3.837,   6.135)  ( 0.00,  0.00,  0.00)
173: ok 14 # gradients 
173: ok 15 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (-26.341, 179.695,  84.974)  (-26.307, 179.722,  84.987)  ( 0.13,  0.02,  0.02)
173:     bond    (-80.184,  67.240,  27.668)  (-80.158,  67.259,  27.676)  ( 0.03,  0.03,  0.03)
173:     angle   ( 50.759, 104.743,  70.672)  ( 50.767, 104.749,  70.675)  ( 0.02,  0.01,  0.00)
173:     torsion (  2.429,   7.968, -13.505)  (  2.429,   7.969, -13.502)  ( 0.00,  0.01,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.643,  -0.252,   0.142)  (  0.643,  -0.252,   0.142)  ( 0.00,  0.00,  0.00)
173:     electro (  0.012,  -0.003,  -0.004)  (  0.012,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
173:  2       (-221.600, -93.476, -82.982)  (-221.567, -93.449, -82.969)  ( 0.02,  0.03,  0.02)
173:     bond    (-162.222, -46.795, -64.231)  (-162.197, -46.775, -64.224)  ( 0.02,  0.04,  0.01)
173:     angle   (-55.886, -36.407, -31.703)  (-55.878, -36.401, -31.700)  ( 0.01,  0.02,  0.01)
173:     torsion ( -3.084,  -8.383,  14.257)  ( -3.084,  -8.381,  14.262)  ( 0.01,  0.02,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.426,  -1.691,  -1.215)  ( -0.426,  -1.691,  -1.215)  ( 0.00,  0.00,  0.00)
173:     electro (  0.018,  -0.201,  -0.091)  (  0.018,  -0.201,  -0.091)  ( 0.00,  0.00,  0.00)
173:  3       (733.756, -926.168, -450.739)  (733.785, -926.141, -450.725)  ( 0.00,  0.00,  0.00)
173:     bond    (715.451, -934.338, -440.862)  (715.477, -934.316, -440.850)  ( 0.00,  0.00,  0.00)
173:     angle   ( 16.605,  -5.824,  12.516)  ( 16.607,  -5.819,  12.517)  ( 0.02,  0.08,  0.01)
173:     torsion (  4.699,  13.992, -22.724)  (  4.699,  13.993, -22.722)  ( 0.00,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.952,   0.158,   0.563)  ( -2.951,   0.158,   0.563)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.047,  -0.157,  -0.233)  ( -0.047,  -0.157,  -0.233)  ( 0.00,  0.00,  0.00)
173:  4       (-544.374, 1014.483, 533.741)  (-544.344, 1014.503, 533.751)  ( 0.01,  0.00,  0.00)
173:     bond    (-540.835, 1016.531, 533.608)  (-540.805, 1016.551, 533.618)  ( 0.01,  0.00,  0.00)
173:     angle   ( -0.021,  -0.029,  -0.009)  ( -0.021,  -0.029,  -0.009)  ( 0.00,  0.00,  0.00)
173:     torsion ( -1.023,  -3.191,   1.716)  ( -1.023,  -3.190,   1.716)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.669,   1.628,  -1.464)  ( -1.669,   1.628,  -1.463)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.826,  -0.456,  -0.110)  ( -0.826,  -0.456,  -0.110)  ( 0.00,  0.00,  0.00)
173:  5       (-93.744, -300.514, -176.809)  (-93.716, -300.491, -176.798)  ( 0.03,  0.01,  0.01)
173:     bond    (  6.436, -205.333, -129.111)  (  6.461, -205.313, -129.103)  ( 0.38,  0.01,  0.01)
173:     angle   (-90.395, -87.897, -67.119)  (-90.392, -87.894, -67.117)  ( 0.00,  0.00,  0.00)
173:     torsion ( -3.711, -12.855,  20.305)  ( -3.711, -12.855,  20.306)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.999,   3.743,  -2.154)  ( -4.999,   3.743,  -2.154)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.075,   1.829,   1.270)  ( -1.075,   1.828,   1.270)  ( 0.00,  0.00,  0.00)
173:  6       (488.052, -1161.301, 137.157)  (488.083, -1161.275, 137.161)  ( 0.01,  0.00,  0.00)
173:     bond    (484.183, -1164.859, 131.653)  (484.214, -1164.833, 131.657)  ( 0.01,  0.00,  0.00)
173:     angle   (  0.022,   0.028,   0.008)  (  0.022,   0.028,   0.008)  ( 0.00,  0.00,  0.00)
173:     torsion (  1.048,   3.836,   6.817)  (  1.048,   3.836,   6.818)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.975,  -0.747,  -1.547)  (  1.975,  -0.747,  -1.547)  ( 0.00,  0.01,  0.00)
173:     electro (  0.824,   0.441,   0.225)  (  0.824,   0.441,   0.225)  ( 0.00,  0.00,  0.00)
173:  7       (120.329, 342.533, -45.999)  (120.358, 342.564, -45.996)  ( 0.02,  0.01,  0.01)
173:     bond    (  8.785, 239.921, -25.604)  (  8.810, 239.948, -25.604)  ( 0.29,  0.01,  0.00)
173:     angle   (105.569, 108.819, -18.888)  (105.572, 108.823, -18.887)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.854,  -1.117,   0.334)  ( -0.854,  -1.116,   0.336)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.877,  -2.849,  -2.436)  (  5.877,  -2.848,  -2.436)  ( 0.00,  0.00,  0.00)
173:     electro (  0.952,  -2.242,   0.595)  (  0.952,  -2.242,   0.595)  ( 0.00,  0.00,  0.00)
173:  8       (  9.605, -199.227,  26.960)  (  9.640, -199.192,  26.965)  ( 0.37,  0.02,  0.02)
173:     bond    ( 76.676, -75.909,   3.494)  ( 76.703, -75.882,   3.494)  ( 0.04,  0.04,  0.00)
173:     angle   (-66.537, -124.364,  14.394)  (-66.528, -124.356,  14.394)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.153,   0.851,   8.951)  (  0.153,   0.851,   8.955)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.677,   0.189,   0.125)  ( -0.677,   0.189,   0.125)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.011,   0.005,  -0.004)  ( -0.011,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
173:  9       (234.083, 110.808,  -5.687)  (234.117, 110.843,  -5.681)  ( 0.01,  0.03,  0.09)
173:     bond    (168.822,  63.419, -12.849)  (168.848,  63.446, -12.850)  ( 0.02,  0.04,  0.00)
173:     angle   ( 64.031,  43.820,  -7.539)  ( 64.039,  43.829,  -7.540)  ( 0.01,  0.02,  0.00)
173:     torsion (  0.607,   1.401,  15.070)  (  0.607,   1.401,  15.076)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.642,   1.953,  -0.380)  (  0.642,   1.953,  -0.380)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.018,   0.214,   0.012)  ( -0.018,   0.214,   0.012)  ( 0.00,  0.00,  0.00)
173: 10       (-703.642, 1063.270, -121.206)  (-703.612, 1063.304, -121.199)  ( 0.00,  0.00,  0.01)
173:     bond    (-668.979, 1057.194, -118.164)  (-668.952, 1057.223, -118.160)  ( 0.00,  0.00,  0.00)
173:     angle   (-36.514,   9.643,  24.582)  (-36.512,   9.649,  24.582)  ( 0.01,  0.06,  0.00)
173:     torsion ( -0.835,  -3.339, -28.417)  ( -0.835,  -3.339, -28.415)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.621,  -0.462,   0.922)  (  2.621,  -0.462,   0.922)  ( 0.00,  0.00,  0.00)
173:     electro (  0.065,   0.232,  -0.128)  (  0.065,   0.232,  -0.128)  ( 0.00,  0.00,  0.00)
173: 11       (-92.037, -219.425,  15.503)  (-92.011, -219.395,  15.528)  ( 0.03,  0.01,  0.16)
173:     bond    (-44.807, -79.240,   7.516)  (-44.789, -79.219,   7.535)  ( 0.04,  0.03,  0.25)
173:     angle   (-49.035, -135.591,   4.959)  (-49.028, -135.582,   4.965)  ( 0.02,  0.01,  0.11)
173:     torsion (  0.089,   0.165,   2.005)  (  0.089,   0.165,   2.006)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.297,  -4.237,   1.078)  (  1.297,  -4.237,   1.078)  ( 0.01,  0.00,  0.00)
173:     electro (  0.420,  -0.522,  -0.056)  (  0.420,  -0.522,  -0.056)  ( 0.00,  0.00,  0.00)
173: 12       ( -8.510,  24.281,  -8.300)  ( -8.498,  24.288,  -8.299)  ( 0.14,  0.03,  0.01)
173:     bond    (  3.190,   1.811,  -0.170)  (  3.201,   1.815,  -0.170)  ( 0.35,  0.20,  0.00)
173:     angle   (-13.096,  23.042,  -0.548)  (-13.096,  23.044,  -0.548)  ( 0.01,  0.01,  0.01)
173:     torsion ( -0.096,  -0.535,  -7.539)  ( -0.096,  -0.535,  -7.538)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.157,   0.114,   0.005)  ( -0.157,   0.114,   0.005)  ( 0.00,  0.00,  0.00)
173:     electro (  1.650,  -0.151,  -0.048)  (  1.650,  -0.151,  -0.048)  ( 0.00,  0.00,  0.00)
173: 13       (-29.862, -44.197,   2.041)  (-29.853, -44.188,   2.043)  ( 0.03,  0.02,  0.08)
173:     bond    (  5.580,  -5.166,   0.418)  (  5.588,  -5.160,   0.418)  ( 0.14,  0.13,  0.00)
173:     angle   (-36.346, -38.897,   5.727)  (-36.345, -38.895,   5.727)  ( 0.00,  0.01,  0.00)
173:     torsion ( -0.092,  -0.424,  -4.005)  ( -0.092,  -0.424,  -4.003)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.083,   0.130,  -0.072)  (  1.083,   0.130,  -0.072)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.087,   0.160,  -0.027)  ( -0.087,   0.160,  -0.027)  ( 0.00,  0.00,  0.00)
173: 14       ( 94.864, 200.588, 114.433)  ( 94.890, 200.617, 114.459)  ( 0.03,  0.01,  0.02)
173:     bond    ( 41.007,  67.471,  46.997)  ( 41.024,  67.492,  47.016)  ( 0.04,  0.03,  0.04)
173:     angle   ( 56.551, 129.171,  64.070)  ( 56.559, 129.179,  64.077)  ( 0.01,  0.01,  0.01)
173:     torsion ( -0.117,  -0.306,   0.514)  ( -0.117,  -0.306,   0.514)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.106,   3.726,   2.744)  ( -2.106,   3.726,   2.744)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.472,   0.526,   0.108)  ( -0.472,   0.526,   0.108)  ( 0.00,  0.00,  0.00)
173: 15       ( 11.332, -23.890, -12.754)  ( 11.343, -23.885, -12.750)  ( 0.10,  0.02,  0.03)
173:     bond    ( -2.993,  -1.390,  -1.422)  ( -2.983,  -1.388,  -1.420)  ( 0.34,  0.16,  0.16)
173:     angle   ( 15.978, -21.946, -12.114)  ( 15.979, -21.944, -12.114)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.194,  -0.653,   1.044)  ( -0.194,  -0.652,   1.045)  ( 0.00,  0.02,  0.09)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.155,  -0.116,  -0.022)  (  0.155,  -0.116,  -0.022)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.614,   0.215,  -0.241)  ( -1.614,   0.215,  -0.241)  ( 0.00,  0.00,  0.00)
173: 16       ( 26.763,  36.848,  27.200)  ( 26.773,  36.856,  27.202)  ( 0.04,  0.02,  0.01)
173:     bond    ( -5.931,   4.794,   1.716)  ( -5.922,   4.800,   1.717)  ( 0.14,  0.11,  0.04)
173:     angle   ( 33.396,  31.558,  26.977)  ( 33.398,  31.559,  26.977)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.258,   0.709,  -1.097)  (  0.258,   0.710,  -1.095)  ( 0.00,  0.03,  0.11)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.068,  -0.086,  -0.304)  ( -1.068,  -0.086,  -0.304)  ( 0.00,  0.00,  0.00)
173:     electro (  0.107,  -0.127,  -0.093)  (  0.107,  -0.127,  -0.093)  ( 0.00,  0.00,  0.00)
173: 17       ( 39.771, 101.216,  64.066)  ( 39.773, 101.229,  64.071)  ( 0.01,  0.01,  0.01)
173:     bond    (-11.976,  98.669,  56.715)  (-11.975,  98.681,  56.720)  ( 0.01,  0.01,  0.01)
173:     angle   ( 48.261,   1.230,   8.049)  ( 48.263,   1.230,   8.049)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.146,   0.573,  -0.966)  (  0.146,   0.573,  -0.965)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.339,   0.040,   0.283)  (  0.339,   0.040,   0.283)  ( 0.00,  0.00,  0.00)
173:     electro (  3.000,   0.705,  -0.016)  (  3.000,   0.705,  -0.016)  ( 0.00,  0.00,  0.00)
173: 18       (-53.140, -113.275,  31.092)  (-53.138, -113.259,  31.093)  ( 0.00,  0.01,  0.00)
173:     bond    (  4.991, -112.248,  19.822)  (  4.991, -112.231,  19.823)  ( 0.01,  0.01,  0.01)
173:     angle   (-55.366,  -1.628,   4.725)  (-55.364,  -1.628,   4.725)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.578,   1.299,   7.208)  (  0.578,   1.299,   7.209)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.375,  -0.137,   0.175)  ( -0.375,  -0.137,   0.175)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.967,  -0.562,  -0.839)  ( -2.967,  -0.562,  -0.839)  ( 0.00,  0.00,  0.00)
173: 19       (-37.239, -77.614, -48.643)  (-37.232, -77.608, -48.638)  ( 0.02,  0.01,  0.01)
173:     bond    ( 30.052, -29.778, -24.026)  ( 30.058, -29.773, -24.023)  ( 0.02,  0.02,  0.02)
173:     angle   (-68.561, -48.606, -25.545)  (-68.559, -48.605, -25.544)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.009,   1.029,   1.006)  (  1.009,   1.029,   1.006)  ( 0.00,  0.00,  0.00)
173:     electro (  0.260,  -0.259,  -0.078)  (  0.260,  -0.259,  -0.078)  ( 0.00,  0.00,  0.00)
173: 20       (-37.541, -23.181, -49.158)  (-37.534, -23.177, -49.150)  ( 0.02,  0.02,  0.02)
173:     bond    (-33.425,  15.800, -36.942)  (-33.419,  15.801, -36.934)  ( 0.02,  0.01,  0.02)
173:     angle   ( -4.258, -39.416, -13.011)  ( -4.257, -39.414, -13.010)  ( 0.02,  0.01,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.023,   0.938,   1.148)  ( -0.023,   0.938,   1.148)  ( 0.00,  0.00,  0.00)
173:     electro (  0.165,  -0.503,  -0.353)  (  0.165,  -0.503,  -0.353)  ( 0.00,  0.00,  0.00)
173: 21       (-29.750, -59.500,  -4.073)  (-29.744, -59.493,  -4.066)  ( 0.02,  0.01,  0.16)
173:     bond    (-27.296, -32.763,  28.653)  (-27.292, -32.757,  28.657)  ( 0.02,  0.02,  0.02)
173:     angle   ( -2.475, -26.642, -32.810)  ( -2.474, -26.640, -32.808)  ( 0.05,  0.00,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.103,   0.375,   0.081)  (  0.103,   0.375,   0.081)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.081,  -0.470,   0.003)  ( -0.081,  -0.470,   0.003)  ( 0.00,  0.00,  0.00)
173: 22       ( 44.369,  65.787, -26.990)  ( 44.381,  65.790, -26.986)  ( 0.03,  0.00,  0.02)
173:     bond    ( 46.695,   0.174, -23.767)  ( 46.707,   0.175, -23.764)  ( 0.02,  0.00,  0.01)
173:     angle   ( -2.385,  67.344,  -4.194)  ( -2.385,  67.346,  -4.193)  ( 0.02,  0.00,  0.03)
174:     torsion ( -0.000,   0.007,  -0.004)  ( -0.000,   0.007,  -0.004)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.616,   6.610,   3.772)  ( -0.616,   6.610,   3.772)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (-82.674, 109.685, -169.760)  (-82.667, 109.695, -169.740)  ( 0.01,  0.01,  0.01)
174:     bond    (-73.962, 104.530, -181.062)  (-73.958, 104.537, -181.043)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.196,   0.175,   0.020)  (  0.200,   0.178,   0.021)  ( 0.06,  0.05,  0.00)
174:     torsion ( -0.007,  -0.005,   0.000)  ( -0.007,  -0.005,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -8.901,   4.984,  11.282)  ( -8.901,   4.984,  11.282)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       (-82.951, -203.270,   2.440)  (-82.943, -203.245,   2.444)  ( 0.01,  0.01,  0.17)
174:     bond    (-73.956, -209.192,   0.116)  (-73.952, -209.167,   0.117)  ( 0.01,  0.01,  0.01)
174:     angle   (  0.236,  -0.085,   0.219)  (  0.240,  -0.085,   0.222)  ( 0.08,  0.00,  0.07)
174:     torsion (  0.012,  -0.004,   0.007)  (  0.012,  -0.004,   0.007)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -9.243,   6.011,   2.098)  ( -9.243,   6.012,   2.098)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 12 # gradients 
174: ok 13 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (-37.135, -25.583,  -5.155)  (-37.065, -25.493,  -5.141)  ( 0.19,  0.35,  0.27)
174:     bond    (-39.393, -37.584,  -9.117)  (-39.335, -37.506,  -9.108)  ( 0.15,  0.21,  0.11)
174:     angle   (  7.381,  12.289,   3.318)  (  7.394,  12.300,   3.319)  ( 0.17,  0.09,  0.04)
174:     torsion (  0.061,  -0.144,   0.321)  (  0.061,  -0.144,   0.324)  ( 0.00,  0.00,  0.09)
174:     vdw     ( -5.824,   0.116,   0.584)  ( -5.824,   0.116,   0.584)  ( 0.00,  0.00,  0.00)
174:     electro (  0.639,  -0.259,  -0.260)  (  0.639,  -0.259,  -0.260)  ( 0.00,  0.00,  0.00)
174:  2       ( 38.411,  37.278,   9.927)  ( 38.505,  37.348,   9.938)  ( 0.24,  0.19,  0.11)
174:     bond    ( 31.945,  49.472,  14.218)  ( 32.026,  49.531,  14.224)  ( 0.25,  0.12,  0.04)
174:     angle   (  8.741, -16.613,  -6.348)  (  8.754, -16.602,  -6.347)  ( 0.14,  0.07,  0.02)
174:     torsion ( -0.021,  -0.066,   0.306)  ( -0.021,  -0.066,   0.309)  ( 0.00,  0.00,  0.09)
174:     vdw     ( -2.211,   5.417,   2.288)  ( -2.211,   5.417,   2.288)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.043,  -0.931,  -0.537)  ( -0.043,  -0.931,  -0.537)  ( 0.00,  0.00,  0.00)
174:  3       ( 37.676,   9.956,  11.493)  ( 37.770,  10.028,  11.506)  ( 0.25,  0.72,  0.11)
174:     bond    ( 22.225, -39.741, -16.148)  ( 22.304, -39.682, -16.140)  ( 0.36,  0.15,  0.05)
174:     angle   ( 15.646,  49.327,  16.801)  ( 15.661,  49.339,  16.803)  ( 0.09,  0.02,  0.01)
174:     torsion (  0.640,  -4.608,  12.311)  (  0.640,  -4.608,  12.314)  ( 0.00,  0.01,  0.02)
174:     vdw     ( -0.175,   6.511,  -0.244)  ( -0.175,   6.511,  -0.244)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.660,  -1.533,  -1.228)  ( -0.660,  -1.533,  -1.228)  ( 0.00,  0.00,  0.00)
174:  4       (-82.568,   2.725,  38.198)  (-82.476,   2.823,  38.217)  ( 0.11,  3.60,  0.05)
174:     bond    (-63.591,  43.917,  19.919)  (-63.515,  43.994,  19.930)  ( 0.12,  0.18,  0.05)
174:     angle   (-24.738, -39.856,  21.223)  (-24.722, -39.835,  21.228)  ( 0.07,  0.05,  0.03)
174:     torsion ( -0.219,  -0.406,  -1.055)  ( -0.219,  -0.405,  -1.052)  ( 0.00,  0.03,  0.30)
174:     vdw     (  5.980,  -0.930,  -1.889)  (  5.980,  -0.930,  -1.889)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-79.362, -10.491,   1.322)  (-79.266, -10.421,   1.335)  ( 0.12,  0.67,  0.93)
174:     bond    (-52.026,   2.020,   6.986)  (-51.946,   2.079,   6.994)  ( 0.16,  2.88,  0.11)
174:     angle   (-28.249,  -8.322,  -0.594)  (-28.234,  -8.310,  -0.592)  ( 0.05,  0.14,  0.10)
174:     torsion (  0.098,   1.325,  -3.983)  (  0.099,   1.325,  -3.980)  ( 0.00,  0.03,  0.07)
174:     vdw     ( -0.161,  -6.107,  -1.169)  ( -0.161,  -6.107,  -1.169)  ( 0.00,  0.00,  0.00)
174:     electro (  0.976,   0.593,   0.083)  (  0.976,   0.593,   0.083)  ( 0.00,  0.00,  0.00)
174:  6       ( 36.692, -14.717,  -9.327)  ( 36.783, -14.646,  -9.314)  ( 0.25,  0.48,  0.14)
174:     bond    ( 53.347, -12.349,  -9.653)  ( 53.426, -12.289,  -9.645)  ( 0.15,  0.48,  0.09)
174:     angle   (-14.012,   2.744,   2.305)  (-13.999,   2.755,   2.306)  ( 0.09,  0.41,  0.06)
174:     torsion ( -0.010,   0.362,  -0.308)  ( -0.010,   0.362,  -0.305)  ( 0.00,  0.01,  0.09)
174:     vdw     ( -3.247,  -5.827,  -1.669)  ( -3.247,  -5.827,  -1.669)  ( 0.00,  0.00,  0.00)
174:     electro (  0.614,   0.354,  -0.001)  (  0.614,   0.354,  -0.001)  ( 0.00,  0.00,  0.00)
174:  7       (200.889,   4.865, 180.344)  (200.967,   4.901, 180.385)  ( 0.04,  0.75,  0.02)
174:     bond    (222.352,  66.628, 140.599)  (222.417,  66.649, 140.627)  ( 0.03,  0.03,  0.02)
174:     angle   (  5.358,   8.587, -17.210)  (  5.370,   8.600, -17.200)  ( 0.22,  0.14,  0.06)
174:     torsion (-24.205, -77.836,  59.395)  (-24.204, -77.834,  59.396)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.040,   8.269,  -3.213)  ( -0.040,   8.269,  -3.213)  ( 0.00,  0.00,  0.00)
174:     electro ( -2.577,  -0.783,   0.775)  ( -2.577,  -0.783,   0.775)  ( 0.00,  0.00,  0.00)
174:  8       (-737.337, -58.076, -13.799)  (-737.247, -58.047, -13.726)  ( 0.01,  0.05,  0.52)
174:     bond    (-746.916,   5.571,  66.213)  (-746.841,   5.590,  66.276)  ( 0.01,  0.34,  0.10)
174:     angle   (  0.733, -57.566, -37.981)  (  0.748, -57.560, -37.972)  ( 1.06,  0.01,  0.02)
174:     torsion (  2.354,   5.244, -42.997)  (  2.354,   5.247, -42.997)  ( 0.01,  0.06,  0.00)
174:     vdw     (  5.596, -11.059,   1.056)  (  5.596, -11.058,   1.056)  ( 0.00,  0.01,  0.00)
174:     electro (  0.896,  -0.266,  -0.089)  (  0.896,  -0.266,  -0.089)  ( 0.00,  0.00,  0.00)
174:  9       ( 53.979, -50.957, -165.826)  ( 53.991, -50.942, -165.779)  ( 0.02,  0.03,  0.03)
174:     bond    ( 56.519, -79.843, -150.792)  ( 56.526, -79.830, -150.746)  ( 0.01,  0.02,  0.03)
174:     angle   (-10.922,  -2.355,  -2.847)  (-10.917,  -2.355,  -2.846)  ( 0.04,  0.01,  0.01)
174:     torsion ( -3.071,  52.160, -28.774)  ( -3.071,  52.160, -28.774)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 11.731, -21.333,  17.254)  ( 11.732, -21.332,  17.254)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.278,   0.414,  -0.667)  ( -0.278,   0.414,  -0.667)  ( 0.00,  0.00,  0.00)
174: 10       (902.852, -191.252, -156.971)  (902.958, -191.166, -156.961)  ( 0.01,  0.05,  0.01)
174:     bond    (1009.544, -205.757, -159.927)  (1009.639, -205.682, -159.922)  ( 0.01,  0.04,  0.00)
174:     angle   (-118.889,  28.667, -37.671)  (-118.878,  28.678, -37.668)  ( 0.01,  0.04,  0.01)
174:     torsion (  5.313, -17.875,  36.215)  (  5.313, -17.874,  36.217)  ( 0.00,  0.00,  0.00)
174:     vdw     (  6.885,   3.712,   4.412)  (  6.885,   3.712,   4.412)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (319.105, -323.366, 188.016)  (319.191, -323.286, 188.027)  ( 0.03,  0.02,  0.01)
174:     bond    (249.730, -328.174,  79.290)  (249.802, -328.108,  79.298)  ( 0.03,  0.02,  0.01)
174:     angle   ( 68.513,  15.709, 114.859)  ( 68.526,  15.722, 114.861)  ( 0.02,  0.08,  0.00)
174:     torsion (  2.045,  -6.876,  -5.315)  (  2.045,  -6.876,  -5.314)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -1.183,  -4.025,  -0.819)  ( -1.183,  -4.025,  -0.819)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (792.462, 567.885, -81.270)  (792.541, 567.969, -81.256)  ( 0.01,  0.01,  0.02)
174:     bond    (843.893, 675.743, -78.173)  (843.959, 675.813, -78.163)  ( 0.01,  0.01,  0.01)
174:     angle   (-49.137, -108.267,  -6.420)  (-49.125, -108.254,  -6.418)  ( 0.03,  0.01,  0.04)
174:     torsion ( -0.622,   0.403,   3.289)  ( -0.622,   0.403,   3.291)  ( 0.00,  0.00,  0.07)
174:     vdw     ( -1.673,   0.006,   0.034)  ( -1.673,   0.006,   0.034)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       (312.993, 491.095, -75.433)  (313.079, 491.177, -75.428)  ( 0.03,  0.02,  0.01)
174:     bond    (182.102, 361.399, -39.998)  (182.175, 361.465, -39.996)  ( 0.04,  0.02,  0.00)
174:     angle   (145.132, 114.986, -32.807)  (145.144, 115.001, -32.807)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.088,   1.470,  -3.367)  ( -0.088,   1.470,  -3.364)  ( 0.00,  0.01,  0.08)
174:     vdw     (-14.461,  14.403,   1.413)  (-14.460,  14.404,   1.413)  ( 0.00,  0.00,  0.00)
174:     electro (  0.308,  -1.163,  -0.673)  (  0.308,  -1.163,  -0.673)  ( 0.00,  0.00,  0.00)
174: 14       (-285.814, 354.520,  45.351)  (-285.728, 354.617,  45.355)  ( 0.03,  0.03,  0.01)
174:     bond    (-505.028, 338.173, -11.705)  (-504.956, 338.260, -11.704)  ( 0.01,  0.03,  0.01)
174:     angle   (220.011,  15.873,  61.540)  (220.025,  15.883,  61.539)  ( 0.01,  0.06,  0.00)
174:     torsion ( -1.857,  -2.686,  -4.718)  ( -1.857,  -2.686,  -4.715)  ( 0.00,  0.00,  0.07)
174:     vdw     (  1.060,   3.160,   0.234)  (  1.060,   3.160,   0.234)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 15       ( 24.507, -209.022, -22.911)  ( 24.604, -208.936, -22.906)  ( 0.39,  0.04,  0.02)
174:     bond    (156.762, -155.422, -28.130)  (156.846, -155.348, -28.128)  ( 0.05,  0.05,  0.01)
174:     angle   (-129.413, -58.792,  -1.964)  (-129.401, -58.781,  -1.965)  ( 0.01,  0.02,  0.02)
174:     torsion ( -1.764,  -0.172,   6.998)  ( -1.763,  -0.172,   7.001)  ( 0.00,  0.00,  0.05)
174:     vdw     ( -1.078,   5.364,   0.186)  ( -1.078,   5.364,   0.186)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       (-51.881, -107.783,  -4.907)  (-51.801, -107.693,  -4.901)  ( 0.16,  0.08,  0.12)
174:     bond    ( 22.023, -118.566, -16.321)  ( 22.092, -118.490, -16.319)  ( 0.31,  0.06,  0.01)
174:     angle   (-70.752,   8.239,   6.612)  (-70.740,   8.252,   6.613)  ( 0.02,  0.15,  0.00)
174:     torsion (  0.535,  -0.313,   3.768)  (  0.535,  -0.313,   3.771)  ( 0.00,  0.00,  0.08)
174:     vdw     ( -4.438,   2.873,   2.399)  ( -4.437,   2.873,   2.399)  ( 0.00,  0.01,  0.00)
174:     electro (  0.749,  -0.015,  -1.365)  (  0.749,  -0.015,  -1.365)  ( 0.00,  0.00,  0.00)
174: 17       (-18.930, 107.515,  14.333)  (-18.855, 107.610,  14.339)  ( 0.39,  0.09,  0.04)
174:     bond    (-22.609, 136.062,  16.568)  (-22.547, 136.145,  16.570)  ( 0.27,  0.06,  0.01)
174:     angle   ( 10.531, -26.073,  -5.363)  ( 10.544, -26.061,  -5.363)  ( 0.12,  0.05,  0.01)
174:     torsion (  0.544,  -0.373,   3.400)  (  0.544,  -0.373,   3.403)  ( 0.00,  0.00,  0.09)
174:     vdw     ( -7.858,  -2.132,   0.339)  ( -7.858,  -2.132,   0.339)  ( 0.00,  0.00,  0.00)
174:     electro (  0.462,   0.030,  -0.611)  (  0.462,   0.030,  -0.611)  ( 0.00,  0.00,  0.00)
174: 18       (-65.774, -68.811,  -0.702)  (-65.676, -68.740,  -0.697)  ( 0.15,  0.10,  0.31)
174:     bond    (-91.259, -79.239,   0.226)  (-91.173, -79.180,   0.227)  ( 0.09,  0.07,  0.02)
174:     angle   ( 26.073,  13.883,  -0.908)  ( 26.086,  13.895,  -0.908)  ( 0.05,  0.09,  0.02)
174:     torsion (  0.013,  -0.002,   0.509)  (  0.013,  -0.002,   0.512)  ( 0.00,  0.00,  0.16)
174:     vdw     ( -0.640,  -4.484,  -0.380)  ( -0.640,  -4.484,  -0.380)  ( 0.00,  0.00,  0.00)
174:     electro (  0.039,   1.031,  -0.148)  (  0.039,   1.031,  -0.148)  ( 0.00,  0.00,  0.00)
174: 19       ( 85.150,  81.337,   1.290)  ( 85.231,  81.426,   1.294)  ( 0.10,  0.11,  0.30)
174:     bond    (131.843,  64.348,  -6.215)  (131.912,  64.425,  -6.214)  ( 0.05,  0.12,  0.01)
174:     angle   (-51.578,  20.309,   7.548)  (-51.566,  20.321,   7.548)  ( 0.02,  0.06,  0.00)
174:     torsion (  0.198,  -0.086,   0.969)  (  0.198,  -0.086,   0.972)  ( 0.00,  0.00,  0.30)
174:     vdw     (  5.356,  -3.308,  -0.917)  (  5.356,  -3.308,  -0.917)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.670,   0.074,  -0.094)  ( -0.670,   0.074,  -0.094)  ( 0.00,  0.00,  0.00)
174: 20       (-68.176,  83.937,  12.040)  (-68.102,  84.034,  12.046)  ( 0.11,  0.12,  0.05)
174:     bond    (-174.589, 125.582,  27.601)  (-174.527, 125.666,  27.603)  ( 0.04,  0.07,  0.01)
174:     angle   (103.136, -36.313, -15.162)  (103.148, -36.301, -15.162)  ( 0.01,  0.03,  0.00)
174:     torsion (  0.377,   0.326,   1.382)  (  0.377,   0.326,   1.386)  ( 0.00,  0.00,  0.23)
174:     vdw     (  3.373,  -6.111,  -1.706)  (  3.373,  -6.111,  -1.706)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.473,   0.454,  -0.075)  ( -0.473,   0.454,  -0.075)  ( 0.00,  0.00,  0.00)
174: 21       (-59.411, -82.492, -73.756)  (-59.364, -82.442, -73.714)  ( 0.08,  0.06,  0.06)
174:     bond    ( 12.624, -154.571,  15.639)  ( 12.658, -154.531,  15.674)  ( 0.27,  0.03,  0.22)
174:     angle   (-67.098,  69.417, -105.866)  (-67.085,  69.427, -105.858)  ( 0.02,  0.01,  0.01)
174:     torsion ( -4.653,   3.381,  16.257)  ( -4.653,   3.382,  16.258)  ( 0.01,  0.01,  0.00)
174:     vdw     ( -0.284,  -0.720,   0.213)  ( -0.284,  -0.720,   0.213)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       (-89.330,  45.460,  51.211)  (-89.280,  45.507,  51.260)  ( 0.05,  0.10,  0.10)
174:     bond    ( 12.839,  22.573,   0.989)  ( 12.876,  22.608,   1.026)  ( 0.29,  0.15,  3.63)
174:     angle   (-100.179,  23.945,  45.961)  (-100.167,  23.957,  45.974)  ( 0.01,  0.05,  0.03)
174:     torsion (  1.924,  -0.079,   2.304)  (  1.924,  -0.078,   2.305)  ( 0.01,  0.00,  0.01)
174:     vdw     ( -3.913,  -0.979,   1.956)  ( -3.913,  -0.979,   1.956)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       ( 89.639,  97.728, -21.522)  ( 89.689,  97.776, -21.473)  ( 0.06,  0.05,  0.23)
174:     bond    (  2.818,  34.692,   2.637)  (  2.854,  34.728,   2.674)  ( 1.27,  0.10,  1.40)
174:     angle   ( 88.780,  56.032, -24.887)  ( 88.794,  56.044, -24.875)  ( 0.02,  0.02,  0.04)
174:     torsion (  2.091,  -0.939,   5.736)  (  2.091,  -0.939,   5.736)  ( 0.01,  0.02,  0.01)
174:     vdw     ( -4.050,   7.943,  -5.008)  ( -4.050,   7.943,  -5.008)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       (-1361.064, -716.503,  54.666)  (-1361.020, -716.452,  54.716)  ( 0.00,  0.01,  0.09)
174:     bond    (-1327.632, -815.920,  90.720)  (-1327.597, -815.884,  90.763)  ( 0.00,  0.00,  0.05)
174:     angle   (-37.784, 107.786, -38.227)  (-37.775, 107.801, -38.220)  ( 0.02,  0.01,  0.02)
174:     torsion ( -0.124,  -0.490,  -1.187)  ( -0.124,  -0.490,  -1.187)  ( 0.00,  0.01,  0.07)
174:     vdw     (  4.476,  -7.879,   3.360)  (  4.476,  -7.878,   3.360)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       (-43.642, -107.862,  17.641)  (-43.595, -107.812,  17.687)  ( 0.11,  0.05,  0.26)
174:     bond    (-40.433, -20.011,   4.163)  (-40.396, -19.976,   4.199)  ( 0.09,  0.17,  0.87)
174:     angle   (-20.506, -107.609,  15.774)  (-20.497, -107.595,  15.782)  ( 0.05,  0.01,  0.05)
174:     torsion (  1.314,  -4.542,   0.958)  (  1.314,  -4.542,   0.959)  ( 0.01,  0.01,  0.07)
174:     vdw     ( 15.984,  24.300,  -3.254)  ( 15.984,  24.300,  -3.254)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 26       ( 21.669,  39.887,  -4.938)  ( 21.712,  39.934,  -4.892)  ( 0.20,  0.12,  0.92)
174:     bond    ( 55.866, -14.525, -25.232)  ( 55.900, -14.489, -25.196)  ( 0.06,  0.25,  0.14)
174:     angle   (-35.142,  55.332,  11.882)  (-35.133,  55.344,  11.892)  ( 0.03,  0.02,  0.08)
174:     torsion (  2.117,   1.420,   7.814)  (  2.117,   1.421,   7.814)  ( 0.01,  0.01,  0.01)
174:     vdw     ( -1.173,  -2.341,   0.598)  ( -1.172,  -2.341,   0.598)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 27       (-47.756, -72.759,  -8.387)  (-47.708, -72.711,  -8.342)  ( 0.10,  0.07,  0.54)
174:     bond    (-26.888,  10.352,  -0.511)  (-26.850,  10.387,  -0.476)  ( 0.14,  0.34,  1.83)
174:     angle   (-20.883, -88.530, -20.258)  (-20.873, -88.517, -20.249)  ( 0.05,  0.02,  0.04)
174:     torsion ( -3.007,   3.318,   9.853)  ( -3.006,   3.319,   9.853)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.022,   2.101,   2.529)  (  3.022,   2.101,   2.530)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 28       (-84.354,  30.361, 125.085)  (-84.308,  30.408, 125.129)  ( 0.05,  0.15,  0.04)
174:     bond    (-12.611,  17.684,  62.899)  (-12.576,  17.721,  62.933)  ( 0.28,  0.21,  0.05)
174:     angle   (-69.663,   5.775,  52.412)  (-69.652,   5.785,  52.422)  ( 0.02,  0.16,  0.02)
174:     torsion ( -1.456,   7.503,   9.639)  ( -1.456,   7.503,   9.639)  ( 0.02,  0.00,  0.00)
174:     vdw     ( -0.624,  -0.601,   0.136)  ( -0.624,  -0.601,   0.136)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 29       (178.239,  59.859, -17.444)  (178.282,  59.908, -17.395)  ( 0.02,  0.08,  0.28)
174:     bond    (128.215,  58.142, -25.742)  (128.248,  58.180, -25.705)  ( 0.03,  0.07,  0.14)
174:     angle   ( 48.331,  15.984,  17.772)  ( 48.341,  15.995,  17.783)  ( 0.02,  0.07,  0.07)
174:     torsion ( -3.523,  -9.583,   6.545)  ( -3.523,  -9.583,   6.545)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.216,  -4.685, -16.019)  (  5.216,  -4.685, -16.019)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 30       (-425.815,  33.516, -847.680)  (-425.779,  33.549, -847.604)  ( 0.01,  0.10,  0.01)
174:     bond    (-248.539, 199.821, -757.719)  (-248.512, 199.849, -757.651)  ( 0.01,  0.01,  0.01)
174:     angle   (-200.524, -157.469, -57.618)  (-200.516, -157.463, -57.611)  ( 0.00,  0.00,  0.01)
174:     torsion (  5.066,  -6.424,   2.469)  (  5.066,  -6.424,   2.469)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 17.443,  -2.235, -30.948)  ( 17.444,  -2.235, -30.947)  ( 0.00,  0.00,  0.00)
174:     electro (  0.739,  -0.178,  -3.864)  (  0.739,  -0.178,  -3.864)  ( 0.00,  0.00,  0.00)
174: 31       ( 89.548, -195.391, 508.761)  ( 89.554, -195.371, 508.809)  ( 0.01,  0.01,  0.01)
174:     bond    (-48.172, -271.651, 450.146)  (-48.169, -271.632, 450.194)  ( 0.01,  0.01,  0.01)
174:     angle   (132.809,  73.117,  58.328)  (132.813,  73.118,  58.328)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.761,  -1.047,  -0.550)  (  0.761,  -1.047,  -0.550)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.864,   4.131,   0.125)  (  3.864,   4.131,   0.125)  ( 0.00,  0.00,  0.00)
174:     electro (  0.286,   0.059,   0.714)  (  0.286,   0.059,   0.714)  ( 0.00,  0.00,  0.00)
174: 32       (488.893, 102.091,  99.940)  (488.908, 102.091,  99.964)  ( 0.00,  0.00,  0.02)
174:     bond    (211.229,   6.631, 313.253)  (211.237,   6.629, 313.272)  ( 0.00,  0.02,  0.01)
174:     angle   ( 68.266,  79.408, -47.714)  ( 68.268,  79.410, -47.713)  ( 0.00,  0.00,  0.00)
174:     torsion ( -3.055,   4.182,   1.971)  ( -3.055,   4.182,   1.971)  ( 0.00,  0.00,  0.00)
174:     vdw     (212.452,  11.871, -167.570)  (212.458,  11.870, -167.567)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 33       ( 45.088, 208.770, -23.706)  ( 45.090, 208.818, -23.678)  ( 0.01,  0.02,  0.12)
174:     bond    ( 16.304, 200.345,  -7.007)  ( 16.306, 200.392,  -6.985)  ( 0.01,  0.02,  0.31)
174:     angle   ( 41.809,   0.611, -15.434)  ( 41.811,   0.613, -15.429)  ( 0.01,  0.10,  0.04)
174:     torsion (-15.671,   2.926,  -2.202)  (-15.672,   2.926,  -2.202)  ( 0.01,  0.00,  0.00)
174:     vdw     (  5.020,   3.888,   1.339)  (  5.021,   3.888,   1.339)  ( 0.00,  0.00,  0.00)
174:     electro ( -2.375,   0.999,  -0.401)  ( -2.375,   0.999,  -0.401)  ( 0.00,  0.00,  0.00)
174: 34       (355.299,  31.343, -78.600)  (355.346,  31.349, -78.570)  ( 0.01,  0.02,  0.04)
174:     bond    (311.200,  51.966, -29.253)  (311.243,  51.969, -29.228)  ( 0.01,  0.01,  0.09)
174:     angle   ( 33.558,   7.472, -51.143)  ( 33.561,   7.474, -51.139)  ( 0.01,  0.03,  0.01)
174:     torsion (  6.518, -34.470,  -2.904)  (  6.518, -34.469,  -2.904)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.574,   5.965,   4.845)  (  1.574,   5.965,   4.845)  ( 0.01,  0.00,  0.00)
174:     electro (  2.450,   0.409,  -0.145)  (  2.450,   0.409,  -0.145)  ( 0.00,  0.00,  0.00)
174: 35       ( 13.120,  -4.680,  -3.985)  ( 13.149,  -4.674,  -3.983)  ( 0.22,  0.11,  0.04)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.121,  -2.368,   1.004)  (  0.121,  -2.368,   1.004)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.061,   0.637,  -0.033)  ( -0.061,   0.637,  -0.033)  ( 0.00,  0.00,  0.00)
173: 23       ( 33.513,  33.559,  34.875)  ( 33.516,  33.564,  34.886)  ( 0.01,  0.01,  0.03)
173:     bond    (  9.700,  21.267,  45.550)  (  9.701,  21.270,  45.562)  ( 0.01,  0.01,  0.02)
173:     angle   ( 24.199,  11.941, -10.729)  ( 24.201,  11.943, -10.728)  ( 0.01,  0.02,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.403,  -0.036,  -0.098)  ( -0.403,  -0.036,  -0.098)  ( 0.00,  0.00,  0.00)
173:     electro (  0.017,   0.387,   0.151)  (  0.017,   0.387,   0.151)  ( 0.00,  0.00,  0.00)
173: 24       ( 40.893,  68.265, -38.893)  ( 40.898,  68.273, -38.888)  ( 0.01,  0.01,  0.01)
173:     bond    (-23.294,  33.180, -26.795)  (-23.290,  33.187, -26.791)  ( 0.01,  0.02,  0.02)
173:     angle   ( 65.430,  35.828, -12.500)  ( 65.432,  35.829, -12.499)  ( 0.00,  0.00,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.012,  -1.043,   0.412)  ( -1.012,  -1.043,   0.412)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.231,   0.300,  -0.010)  ( -0.231,   0.300,  -0.010)  ( 0.00,  0.00,  0.00)
173: ok 16 # gradients 
173: ok 17 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (280.385,  79.113, -45.579)  (280.423,  79.148, -45.561)  ( 0.01,  0.04,  0.04)
173:     bond    (269.764,  65.096, -61.045)  (269.793,  65.121, -61.035)  ( 0.01,  0.04,  0.02)
173:     angle   ( -0.386,   0.172,  -0.097)  ( -0.379,   0.180,  -0.092)  ( 0.28,  0.15,  0.05)
173:     torsion ( -0.078,   0.077,   0.128)  ( -0.077,   0.078,   0.131)  ( 0.01,  0.01,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.087,  13.768,  15.435)  ( 11.087,  13.769,  15.435)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  2       ( -0.039, 251.973, -153.609)  ( -0.000, 252.014, -153.597)  ( 0.15,  0.02,  0.01)
173:     bond    ( -0.027, 231.339, -164.452)  (  0.000, 231.370, -164.446)  ( 0.07,  0.01,  0.00)
173:     angle   ( -0.010,   0.062,  -0.251)  ( -0.000,   0.070,  -0.248)  ( 0.01,  0.05,  0.09)
173:     torsion ( -0.001,  -0.029,  -0.095)  ( -0.000,  -0.028,  -0.091)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.001,  20.601,  11.189)  (  0.000,  20.601,  11.189)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  3       ( -0.039, -252.054, -153.609)  (  0.000, -252.014, -153.597)  ( 0.15,  0.02,  0.01)
173:     bond    ( -0.027, -231.402, -164.452)  (  0.000, -231.370, -164.446)  ( 0.07,  0.01,  0.00)
173:     angle   ( -0.010,  -0.078,  -0.251)  ( -0.000,  -0.070,  -0.248)  ( 0.01,  0.06,  0.09)
173:     torsion ( -0.001,   0.027,  -0.095)  (  0.000,   0.028,  -0.091)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.001, -20.602,  11.189)  (  0.000, -20.601,  11.189)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  4       (280.385, -79.182, -45.579)  (280.423, -79.148, -45.561)  ( 0.01,  0.04,  0.04)
173:     bond    (269.764, -65.145, -61.045)  (269.793, -65.121, -61.035)  ( 0.01,  0.04,  0.02)
173:     angle   ( -0.386,  -0.189,  -0.097)  ( -0.379,  -0.180,  -0.092)  ( 0.28,  0.16,  0.05)
173:     torsion ( -0.078,  -0.079,   0.128)  ( -0.077,  -0.078,   0.131)  ( 0.01,  0.01,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.087, -13.769,  15.435)  ( 11.087, -13.769,  15.435)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  5       (-127.758, 175.179, -201.805)  (-127.730, 175.217, -201.780)  ( 0.02,  0.02,  0.01)
173:     bond    (-105.528, 167.839, -204.493)  (-105.508, 167.867, -204.477)  ( 0.02,  0.02,  0.01)
173:     angle   ( -0.037,   0.417,   0.081)  ( -0.030,   0.425,   0.086)  ( 0.03,  0.36,  0.04)
173:     torsion (  0.072,   0.059,  -0.086)  (  0.074,   0.061,  -0.083)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-22.266,   6.864,   2.694)  (-22.266,   6.864,   2.694)  ( 0.00,  0.01,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  6       (-127.758, -175.256, -201.805)  (-127.730, -175.217, -201.780)  ( 0.02,  0.02,  0.01)
173:     bond    (-105.528, -167.895, -204.493)  (-105.508, -167.867, -204.477)  ( 0.02,  0.02,  0.01)
173:     angle   ( -0.037,  -0.434,   0.081)  ( -0.030,  -0.425,   0.086)  ( 0.03,  0.38,  0.04)
173:     torsion (  0.072,  -0.062,  -0.086)  (  0.074,  -0.061,  -0.083)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-22.266,  -6.865,   2.694)  (-22.266,  -6.864,   2.694)  ( 0.00,  0.01,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  7       (-280.461,  79.113, -45.579)  (-280.423,  79.148, -45.561)  ( 0.01,  0.04,  0.04)
173:     bond    (-269.822,  65.096, -61.045)  (-269.793,  65.121, -61.035)  ( 0.01,  0.04,  0.02)
173:     angle   (  0.372,   0.172,  -0.097)  (  0.379,   0.180,  -0.092)  ( 0.27,  0.15,  0.05)
173:     torsion (  0.076,   0.077,   0.128)  (  0.077,   0.078,   0.131)  ( 0.01,  0.01,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.087,  13.768,  15.435)  (-11.087,  13.769,  15.435)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  8       (-280.461, -79.182, -45.579)  (-280.423, -79.148, -45.561)  ( 0.01,  0.04,  0.04)
173:     bond    (-269.822, -65.145, -61.045)  (-269.793, -65.121, -61.035)  ( 0.01,  0.04,  0.02)
173:     angle   (  0.372,  -0.189,  -0.097)  (  0.379,  -0.180,  -0.092)  ( 0.27,  0.16,  0.05)
173:     torsion (  0.076,  -0.079,   0.128)  (  0.077,  -0.078,   0.131)  ( 0.01,  0.01,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.087, -13.769,  15.435)  (-11.087, -13.769,  15.435)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:  9       (175.179, 201.756, 127.701)  (175.217, 201.780, 127.730)  ( 0.02,  0.01,  0.02)
173:     bond    (167.839, 204.461, 105.488)  (167.867, 204.477, 105.508)  ( 0.02,  0.01,  0.02)
173:     angle   (  0.417,  -0.092,   0.023)  (  0.425,  -0.086,   0.030)  ( 0.36,  0.05,  0.02)
173:     torsion (  0.059,   0.081,  -0.075)  (  0.061,   0.083,  -0.074)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.864,  -2.694,  22.265)  (  6.864,  -2.694,  22.266)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 10       ( 45.542, 280.385,  79.113)  ( 45.561, 280.423,  79.148)  ( 0.04,  0.01,  0.04)
173:     bond    ( 61.024, 269.764,  65.096)  ( 61.035, 269.793,  65.121)  ( 0.02,  0.01,  0.04)
173:     angle   (  0.087,  -0.386,   0.172)  (  0.092,  -0.379,   0.180)  ( 0.05,  0.28,  0.15)
173:     torsion ( -0.134,  -0.078,   0.077)  ( -0.131,  -0.077,   0.078)  ( 0.04,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-15.435,  11.087,  13.768)  (-15.435,  11.087,  13.769)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 11       ( 45.542, -280.461,  79.113)  ( 45.561, -280.423,  79.148)  ( 0.04,  0.01,  0.04)
173:     bond    ( 61.024, -269.822,  65.096)  ( 61.035, -269.793,  65.121)  ( 0.02,  0.01,  0.04)
173:     angle   (  0.087,   0.372,   0.172)  (  0.092,   0.379,   0.180)  ( 0.05,  0.27,  0.15)
173:     torsion ( -0.134,   0.076,   0.077)  ( -0.131,   0.077,   0.078)  ( 0.04,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-15.435, -11.087,  13.768)  (-15.435, -11.087,  13.769)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 12       (175.179, -201.805, 127.701)  (175.217, -201.780, 127.730)  ( 0.02,  0.01,  0.02)
173:     bond    (167.839, -204.493, 105.488)  (167.867, -204.477, 105.508)  ( 0.02,  0.01,  0.02)
173:     angle   (  0.417,   0.081,   0.023)  (  0.425,   0.086,   0.030)  ( 0.36,  0.04,  0.02)
173:     torsion (  0.059,  -0.086,  -0.075)  (  0.061,  -0.083,  -0.074)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.864,   2.694,  22.265)  (  6.864,   2.694,  22.266)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 13       (201.756, -127.758, -175.256)  (201.780, -127.730, -175.217)  ( 0.01,  0.02,  0.02)
173:     bond    (204.461, -105.528, -167.895)  (204.477, -105.508, -167.867)  ( 0.01,  0.02,  0.02)
173:     angle   ( -0.092,  -0.037,  -0.434)  ( -0.086,  -0.030,  -0.425)  ( 0.05,  0.03,  0.38)
173:     torsion (  0.081,   0.072,  -0.062)  (  0.083,   0.074,  -0.061)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.694, -22.266,  -6.865)  ( -2.694, -22.266,  -6.864)  ( 0.01,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 14       (-79.182,  45.542, -280.461)  (-79.148,  45.561, -280.423)  ( 0.04,  0.04,  0.01)
173:     bond    (-65.145,  61.024, -269.822)  (-65.121,  61.035, -269.793)  ( 0.04,  0.02,  0.01)
173:     angle   ( -0.189,   0.087,   0.372)  ( -0.180,   0.092,   0.379)  ( 0.16,  0.05,  0.27)
173:     torsion ( -0.079,  -0.134,   0.076)  ( -0.078,  -0.131,   0.077)  ( 0.01,  0.04,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-13.769, -15.435, -11.087)  (-13.769, -15.435, -11.087)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 15       (201.756, -127.758, 175.179)  (201.780, -127.730, 175.217)  ( 0.01,  0.02,  0.02)
173:     bond    (204.461, -105.528, 167.839)  (204.477, -105.508, 167.867)  ( 0.01,  0.02,  0.02)
173:     angle   ( -0.092,  -0.037,   0.417)  ( -0.086,  -0.030,   0.425)  ( 0.05,  0.03,  0.36)
173:     torsion (  0.081,   0.072,   0.059)  (  0.083,   0.074,   0.061)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.694, -22.266,   6.864)  ( -2.694, -22.266,   6.864)  ( 0.01,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 16       (-252.054, 153.584,  -0.039)  (-252.014, 153.597,   0.000)  ( 0.02,  0.01,  0.15)
173:     bond    (-231.402, 164.441,  -0.027)  (-231.370, 164.446,   0.000)  ( 0.01,  0.00,  0.07)
173:     angle   ( -0.078,   0.245,  -0.010)  ( -0.070,   0.248,   0.000)  ( 0.06,  0.08,  0.01)
173:     torsion (  0.027,   0.087,  -0.001)  (  0.028,   0.091,  -0.000)  ( 0.00,  0.03,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-20.602, -11.189,  -0.001)  (-20.601, -11.189,  -0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 17       (127.701, -175.256, -201.805)  (127.730, -175.217, -201.780)  ( 0.02,  0.02,  0.01)
174:     bond    ( 16.867,  -0.230,  -1.803)  ( 16.896,  -0.230,  -1.803)  ( 0.17,  0.00,  0.02)
174:     angle   ( -0.250,  -5.004,  -1.704)  ( -0.250,  -4.999,  -1.703)  ( 0.00,  0.10,  0.03)
174:     torsion ( -0.098,   0.340,  -0.959)  ( -0.098,   0.340,  -0.958)  ( 0.00,  0.00,  0.06)
174:     vdw     ( -2.257,   0.053,   0.249)  ( -2.257,   0.053,   0.249)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.143,   0.162,   0.231)  ( -1.143,   0.162,   0.231)  ( 0.00,  0.00,  0.00)
174: 36       (  0.006, -15.359,  -3.544)  (  0.016, -15.338,  -3.540)  ( 0.01,  0.14,  0.10)
174:     bond    (  7.720, -14.222,  -5.441)  (  7.726, -14.202,  -5.438)  ( 0.08,  0.14,  0.06)
174:     angle   ( -6.523,  -3.314,  -0.610)  ( -6.519,  -3.312,  -0.610)  ( 0.07,  0.03,  0.00)
174:     torsion (  0.113,  -0.467,   1.379)  (  0.113,  -0.467,   1.380)  ( 0.00,  0.00,  0.05)
174:     vdw     ( -1.472,   1.894,   0.739)  ( -1.472,   1.894,   0.739)  ( 0.01,  0.00,  0.00)
174:     electro (  0.168,   0.749,   0.389)  (  0.168,   0.749,   0.389)  ( 0.00,  0.00,  0.00)
174: 37       ( -1.645, -23.765, -11.107)  ( -1.633, -23.744, -11.104)  ( 0.76,  0.09,  0.02)
174:     bond    ( -8.146, -13.043,  -3.758)  ( -8.138, -13.023,  -3.756)  ( 0.09,  0.15,  0.05)
174:     angle   ( 22.101, -12.124,  -5.860)  ( 22.105, -12.123,  -5.860)  ( 0.02,  0.01,  0.01)
174:     torsion (  0.229,  -0.865,   2.502)  (  0.229,  -0.865,   2.503)  ( 0.00,  0.01,  0.03)
174:     vdw     (-17.378,   2.284,  -4.976)  (-17.377,   2.284,  -4.976)  ( 0.00,  0.01,  0.00)
174:     electro (  1.549,  -0.016,   0.985)  (  1.549,  -0.016,   0.985)  ( 0.00,  0.00,  0.00)
174: 38       (  8.408,  13.534,   1.843)  (  8.418,  13.556,   1.846)  ( 0.13,  0.16,  0.20)
174:     bond    ( -4.650,   8.801,   3.291)  ( -4.644,   8.822,   3.294)  ( 0.12,  0.23,  0.09)
174:     angle   ( 17.462,   8.623,   1.530)  ( 17.466,   8.624,   1.530)  ( 0.03,  0.01,  0.00)
174:     torsion ( -0.168,   0.870,  -2.570)  ( -0.168,   0.870,  -2.569)  ( 0.00,  0.01,  0.03)
174:     vdw     ( -3.024,  -4.212,  -0.222)  ( -3.024,  -4.212,  -0.222)  ( 0.01,  0.00,  0.00)
174:     electro ( -1.211,  -0.549,  -0.187)  ( -1.211,  -0.549,  -0.187)  ( 0.00,  0.00,  0.00)
174: 39       ( 10.765,   9.918,  -1.617)  ( 10.778,   9.939,  -1.615)  ( 0.12,  0.21,  0.15)
174:     bond    (  8.882,  13.515,   3.463)  (  8.890,  13.534,   3.465)  ( 0.09,  0.14,  0.04)
174:     angle   (  3.987,  -2.305,  -1.242)  (  3.991,  -2.304,  -1.242)  ( 0.10,  0.06,  0.03)
174:     torsion ( -0.368,   1.081,  -3.282)  ( -0.368,   1.082,  -3.282)  ( 0.00,  0.01,  0.02)
174:     vdw     ( -1.312,  -1.866,  -0.453)  ( -1.312,  -1.866,  -0.453)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.425,  -0.508,  -0.102)  ( -0.425,  -0.508,  -0.102)  ( 0.00,  0.00,  0.00)
174: 40       (-19.395, 112.685, -25.588)  (-19.386, 112.700, -25.575)  ( 0.05,  0.01,  0.05)
174:     bond    (-28.621,  47.221,  42.215)  (-28.616,  47.235,  42.226)  ( 0.02,  0.03,  0.03)
174:     angle   ( -8.824,   0.753,  -6.820)  ( -8.821,   0.753,  -6.820)  ( 0.04,  0.03,  0.01)
174:     torsion ( 17.980,  42.007, -34.806)  ( 17.980,  42.007, -34.805)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.332,  20.683, -26.047)  ( -2.331,  20.683, -26.047)  ( 0.02,  0.00,  0.00)
174:     electro (  2.402,   2.022,  -0.130)  (  2.402,   2.022,  -0.130)  ( 0.00,  0.00,  0.00)
174: 41       (-69.377, -53.313,  26.652)  (-69.353, -53.296,  26.653)  ( 0.03,  0.03,  0.00)
174:     bond    ( 32.496, -18.726,   5.332)  ( 32.517, -18.719,   5.332)  ( 0.07,  0.04,  0.01)
174:     angle   (-53.205, -90.112,   8.124)  (-53.204, -90.108,   8.124)  ( 0.00,  0.01,  0.00)
174:     torsion (  1.029,  -1.765, -12.473)  (  1.029,  -1.765, -12.473)  ( 0.00,  0.00,  0.01)
174:     vdw     (-49.387,  55.775,  24.800)  (-49.386,  55.780,  24.800)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.309,   1.516,   0.870)  ( -0.309,   1.516,   0.870)  ( 0.00,  0.00,  0.00)
174: 42       ( 19.714,  21.792,  18.497)  ( 19.735,  21.805,  18.499)  ( 0.11,  0.06,  0.01)
174:     bond    (-10.363,   6.911,   2.336)  (-10.343,   6.920,   2.337)  ( 0.19,  0.12,  0.04)
174:     angle   ( 26.400,  39.285,   0.517)  ( 26.401,  39.289,   0.517)  ( 0.01,  0.01,  0.00)
173:     bond    (105.488, -167.895, -204.493)  (105.508, -167.867, -204.477)  ( 0.02,  0.02,  0.01)
173:     angle   (  0.023,  -0.434,   0.081)  (  0.030,  -0.425,   0.086)  ( 0.02,  0.38,  0.04)
173:     torsion ( -0.075,  -0.062,  -0.086)  ( -0.074,  -0.061,  -0.083)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 22.265,  -6.865,   2.694)  ( 22.266,  -6.864,   2.694)  ( 0.00,  0.01,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 18       (-175.256, 201.756, 127.701)  (-175.217, 201.780, 127.730)  ( 0.02,  0.01,  0.02)
173:     bond    (-167.895, 204.461, 105.488)  (-167.867, 204.477, 105.508)  ( 0.02,  0.01,  0.02)
173:     angle   ( -0.434,  -0.092,   0.023)  ( -0.425,  -0.086,   0.030)  ( 0.38,  0.05,  0.02)
173:     torsion ( -0.062,   0.081,  -0.075)  ( -0.061,   0.083,  -0.074)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.865,  -2.694,  22.265)  ( -6.864,  -2.694,  22.266)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 19       (-79.182,  45.542, 280.385)  (-79.148,  45.561, 280.423)  ( 0.04,  0.04,  0.01)
173:     bond    (-65.145,  61.024, 269.764)  (-65.121,  61.035, 269.793)  ( 0.04,  0.02,  0.01)
173:     angle   ( -0.189,   0.087,  -0.386)  ( -0.180,   0.092,  -0.379)  ( 0.16,  0.05,  0.28)
173:     torsion ( -0.079,  -0.134,  -0.078)  ( -0.078,  -0.131,  -0.077)  ( 0.01,  0.04,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-13.769, -15.435,  11.087)  (-13.769, -15.435,  11.087)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 20       ( 79.113,  45.542, -280.461)  ( 79.148,  45.561, -280.423)  ( 0.04,  0.04,  0.01)
173:     bond    ( 65.096,  61.024, -269.822)  ( 65.121,  61.035, -269.793)  ( 0.04,  0.02,  0.01)
173:     angle   (  0.172,   0.087,   0.372)  (  0.180,   0.092,   0.379)  ( 0.15,  0.05,  0.27)
173:     torsion (  0.077,  -0.134,   0.076)  (  0.078,  -0.131,   0.077)  ( 0.01,  0.04,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.768, -15.435, -11.087)  ( 13.769, -15.435, -11.087)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 21       (127.701, 175.179, -201.805)  (127.730, 175.217, -201.780)  ( 0.02,  0.02,  0.01)
173:     bond    (105.488, 167.839, -204.493)  (105.508, 167.867, -204.477)  ( 0.02,  0.02,  0.01)
173:     angle   (  0.023,   0.417,   0.081)  (  0.030,   0.425,   0.086)  ( 0.02,  0.36,  0.04)
173:     torsion ( -0.075,   0.059,  -0.086)  ( -0.074,   0.061,  -0.083)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 22.265,   6.864,   2.694)  ( 22.266,   6.864,   2.694)  ( 0.00,  0.01,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 22       (153.584,  -0.039, 251.973)  (153.597,   0.000, 252.014)  ( 0.01,  0.15,  0.02)
173:     bond    (164.441,  -0.027, 231.339)  (164.446,   0.000, 231.370)  ( 0.00,  0.07,  0.01)
173:     angle   (  0.245,  -0.010,   0.062)  (  0.248,  -0.000,   0.070)  ( 0.08,  0.01,  0.05)
173:     torsion (  0.087,  -0.001,  -0.029)  (  0.091,   0.000,  -0.028)  ( 0.03,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.189,  -0.001,  20.601)  (-11.189,   0.000,  20.601)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 23       (201.756, 127.701, -175.256)  (201.780, 127.730, -175.217)  ( 0.01,  0.02,  0.02)
173:     bond    (204.461, 105.488, -167.895)  (204.477, 105.508, -167.867)  ( 0.01,  0.02,  0.02)
173:     angle   ( -0.092,   0.023,  -0.434)  ( -0.086,   0.030,  -0.425)  ( 0.05,  0.02,  0.38)
173:     torsion (  0.081,  -0.075,  -0.062)  (  0.083,  -0.074,  -0.061)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.694,  22.265,  -6.865)  ( -2.694,  22.266,  -6.864)  ( 0.01,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 24       (-45.579, -280.461,  79.113)  (-45.561, -280.423,  79.148)  ( 0.04,  0.01,  0.04)
173:     bond    (-61.045, -269.822,  65.096)  (-61.035, -269.793,  65.121)  ( 0.02,  0.01,  0.04)
173:     angle   ( -0.097,   0.372,   0.172)  ( -0.092,   0.379,   0.180)  ( 0.05,  0.27,  0.15)
173:     torsion (  0.128,   0.076,   0.077)  (  0.131,   0.077,   0.078)  ( 0.04,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.435, -11.087,  13.768)  ( 15.435, -11.087,  13.769)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 25       (-79.182, -45.579, -280.461)  (-79.148, -45.561, -280.423)  ( 0.04,  0.04,  0.01)
173:     bond    (-65.145, -61.045, -269.822)  (-65.121, -61.035, -269.793)  ( 0.04,  0.02,  0.01)
173:     angle   ( -0.189,  -0.097,   0.372)  ( -0.180,  -0.092,   0.379)  ( 0.16,  0.05,  0.27)
173:     torsion ( -0.079,   0.128,   0.076)  ( -0.078,   0.131,   0.077)  ( 0.01,  0.04,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-13.769,  15.435, -11.087)  (-13.769,  15.435, -11.087)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 26       (-175.256, -201.805, 127.701)  (-175.217, -201.780, 127.730)  ( 0.02,  0.01,  0.02)
173:     bond    (-167.895, -204.493, 105.488)  (-167.867, -204.477, 105.508)  ( 0.02,  0.01,  0.02)
173:     angle   ( -0.434,   0.081,   0.023)  ( -0.425,   0.086,   0.030)  ( 0.38,  0.04,  0.02)
173:     torsion ( -0.062,  -0.086,  -0.075)  ( -0.061,  -0.083,  -0.074)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.865,   2.694,  22.265)  ( -6.864,   2.694,  22.266)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 27       (201.756, 127.701, 175.179)  (201.780, 127.730, 175.217)  ( 0.01,  0.02,  0.02)
173:     bond    (204.461, 105.488, 167.839)  (204.477, 105.508, 167.867)  ( 0.01,  0.02,  0.02)
173:     angle   ( -0.092,   0.023,   0.417)  ( -0.086,   0.030,   0.425)  ( 0.05,  0.02,  0.36)
173:     torsion (  0.081,  -0.075,   0.059)  (  0.083,  -0.074,   0.061)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.694,  22.265,   6.864)  ( -2.694,  22.266,   6.864)  ( 0.01,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 28       (-252.054, -153.609,  -0.039)  (-252.014, -153.597,   0.000)  ( 0.02,  0.01,  0.15)
173:     bond    (-231.402, -164.452,  -0.027)  (-231.370, -164.446,   0.000)  ( 0.01,  0.00,  0.07)
173:     angle   ( -0.078,  -0.251,  -0.010)  ( -0.070,  -0.248,   0.000)  ( 0.06,  0.09,  0.01)
173:     torsion (  0.027,  -0.095,  -0.001)  (  0.028,  -0.091,   0.000)  ( 0.00,  0.03,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-20.602,  11.189,  -0.001)  (-20.601,  11.189,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 29       ( 79.113, -45.579, -280.461)  ( 79.148, -45.561, -280.423)  ( 0.04,  0.04,  0.01)
173:     bond    ( 65.096, -61.045, -269.822)  ( 65.121, -61.035, -269.793)  ( 0.04,  0.02,  0.01)
173:     angle   (  0.172,  -0.097,   0.372)  (  0.180,  -0.092,   0.379)  ( 0.15,  0.05,  0.27)
173:     torsion (  0.077,   0.128,   0.076)  (  0.078,   0.131,   0.077)  ( 0.01,  0.04,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.768,  15.435, -11.087)  ( 13.769,  15.435, -11.087)  ( 0.00,  0.00,  0.00)
174:     torsion ( -1.585,   1.240, -10.682)  ( -1.584,   1.240, -10.682)  ( 0.00,  0.00,  0.01)
174:     vdw     (  5.474, -26.880,  23.842)  (  5.474, -26.879,  23.843)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.212,   1.236,   2.483)  ( -0.212,   1.236,   2.483)  ( 0.00,  0.00,  0.00)
174: 43       (  9.715,   8.359,   2.930)  (  9.740,   8.368,   2.931)  ( 0.26,  0.11,  0.03)
174:     bond    ( 14.301,   6.147,  -0.831)  ( 14.325,   6.152,  -0.830)  ( 0.17,  0.07,  0.01)
174:     angle   ( -1.761,   4.174,   0.598)  ( -1.760,   4.179,   0.598)  ( 0.05,  0.11,  0.01)
174:     torsion (  0.282,  -0.288,   2.724)  (  0.282,  -0.288,   2.725)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -2.337,  -1.262,  -0.140)  ( -2.337,  -1.262,  -0.140)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.770,  -0.413,   0.578)  ( -0.770,  -0.413,   0.578)  ( 0.00,  0.00,  0.00)
174: 44       ( -8.045,   9.666,   3.235)  ( -8.039,   9.694,   3.236)  ( 0.08,  0.29,  0.03)
174:     bond    (  1.544,  12.383,   1.114)  (  1.545,  12.412,   1.114)  ( 0.03,  0.23,  0.03)
174:     angle   ( -9.291,   1.062,   1.043)  ( -9.286,   1.062,   1.043)  ( 0.06,  0.01,  0.00)
174:     torsion (  0.121,  -0.133,   1.312)  (  0.121,  -0.133,   1.313)  ( 0.00,  0.00,  0.06)
174:     vdw     ( -0.297,  -2.246,  -0.246)  ( -0.297,  -2.246,  -0.246)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.122,  -1.401,   0.012)  ( -0.122,  -1.401,   0.012)  ( 0.00,  0.00,  0.00)
174: 45       (-20.489,  -1.793,  -0.197)  (-20.468,  -1.779,  -0.196)  ( 0.10,  0.77,  0.02)
174:     bond    (-15.530,  11.287,   2.391)  (-15.511,  11.296,   2.392)  ( 0.12,  0.09,  0.02)
174:     angle   ( -7.148,  -9.776,  -0.187)  ( -7.146,  -9.773,  -0.187)  ( 0.03,  0.04,  0.00)
174:     torsion ( -0.198,   0.179,  -2.132)  ( -0.198,   0.179,  -2.132)  ( 0.00,  0.00,  0.04)
174:     vdw     (  1.583,  -2.939,  -0.285)  (  1.583,  -2.939,  -0.285)  ( 0.00,  0.01,  0.00)
174:     electro (  0.804,  -0.544,   0.016)  (  0.804,  -0.544,   0.016)  ( 0.00,  0.00,  0.00)
174: 46       (-46.238, -62.524, -18.907)  (-46.212, -62.511, -18.906)  ( 0.06,  0.02,  0.01)
174:     bond    (-11.826,  -4.182,   1.104)  (-11.800,  -4.179,   1.104)  ( 0.22,  0.08,  0.03)
174:     angle   (-21.089,  61.421,   7.120)  (-21.088,  61.427,   7.120)  ( 0.00,  0.01,  0.00)
174:     torsion ( -0.097,   0.023,  -0.953)  ( -0.097,   0.023,  -0.953)  ( 0.00,  0.00,  0.07)
174:     vdw     (-12.557, -119.814, -26.018)  (-12.557, -119.810, -26.019)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.669,   0.028,  -0.158)  ( -0.669,   0.028,  -0.158)  ( 0.00,  0.00,  0.00)
174: 47       ( -5.094,   7.629,  -4.637)  ( -5.086,   7.633,  -4.614)  ( 0.15,  0.05,  0.49)
174:     bond    (  0.337,   0.107,   0.688)  (  0.343,   0.108,   0.710)  ( 0.17,  0.01,  1.52)
174:     angle   ( -5.784,   5.773,   1.912)  ( -5.782,   5.776,   1.912)  ( 0.04,  0.05,  0.03)
174:     torsion (  1.105,   8.313,  -1.798)  (  1.105,   8.313,  -1.798)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -0.752,  -6.565,  -5.438)  ( -0.752,  -6.564,  -5.438)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 48       (-12.714, -49.529,  -2.800)  (-12.692, -49.520,  -2.796)  ( 0.18,  0.02,  0.15)
174:     bond    (-45.403, -22.360,  -5.878)  (-45.381, -22.354,  -5.878)  ( 0.05,  0.02,  0.00)
174:     angle   ( 25.355, -52.296,   3.108)  ( 25.356, -52.292,   3.112)  ( 0.00,  0.01,  0.12)
174:     torsion (  2.076,  -5.961,   6.639)  (  2.076,  -5.961,   6.639)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.257,  31.087,  -6.670)  (  5.257,  31.088,  -6.669)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 49       ( 29.104, -15.468,  26.637)  ( 29.109, -15.464,  26.663)  ( 0.02,  0.02,  0.10)
174:     bond    (  8.691,  -1.170,  31.882)  (  8.693,  -1.171,  31.908)  ( 0.02,  0.01,  0.08)
174:     angle   ( 17.852, -22.195,  -5.679)  ( 17.856, -22.191,  -5.679)  ( 0.02,  0.02,  0.00)
174:     torsion (  3.717,   7.207,  -0.748)  (  3.717,   7.207,  -0.748)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.156,   0.690,   1.183)  ( -1.156,   0.690,   1.183)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 30       (251.973, 153.584,  -0.039)  (252.014, 153.597,   0.000)  ( 0.02,  0.01,  0.15)
173:     bond    (231.339, 164.441,  -0.027)  (231.370, 164.446,   0.000)  ( 0.01,  0.00,  0.07)
173:     angle   (  0.062,   0.245,  -0.010)  (  0.070,   0.248,   0.000)  ( 0.05,  0.08,  0.01)
173:     torsion ( -0.029,   0.087,  -0.001)  ( -0.028,   0.091,   0.000)  ( 0.00,  0.03,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 20.601, -11.189,  -0.001)  ( 20.601, -11.189,  -0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 31       (153.584,  -0.039, -252.054)  (153.597,  -0.000, -252.014)  ( 0.01,  0.15,  0.02)
173:     bond    (164.441,  -0.027, -231.402)  (164.446,   0.000, -231.370)  ( 0.00,  0.07,  0.01)
173:     angle   (  0.245,  -0.010,  -0.078)  (  0.248,   0.000,  -0.070)  ( 0.08,  0.01,  0.06)
173:     torsion (  0.087,  -0.001,   0.027)  (  0.091,  -0.000,   0.028)  ( 0.03,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.189,  -0.001, -20.602)  (-11.189,  -0.000, -20.601)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 32       (-45.579, 280.385,  79.113)  (-45.561, 280.423,  79.148)  ( 0.04,  0.01,  0.04)
173:     bond    (-61.045, 269.764,  65.096)  (-61.035, 269.793,  65.121)  ( 0.02,  0.01,  0.04)
173:     angle   ( -0.097,  -0.386,   0.172)  ( -0.092,  -0.379,   0.180)  ( 0.05,  0.28,  0.15)
173:     torsion (  0.128,  -0.078,   0.077)  (  0.131,  -0.077,   0.078)  ( 0.04,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.435,  11.087,  13.768)  ( 15.435,  11.087,  13.769)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 33       (-79.182, -45.579, 280.385)  (-79.148, -45.561, 280.423)  ( 0.04,  0.04,  0.01)
173:     bond    (-65.145, -61.045, 269.764)  (-65.121, -61.035, 269.793)  ( 0.04,  0.02,  0.01)
173:     angle   ( -0.189,  -0.097,  -0.386)  ( -0.180,  -0.092,  -0.379)  ( 0.16,  0.05,  0.28)
173:     torsion ( -0.079,   0.128,  -0.078)  ( -0.078,   0.131,  -0.077)  ( 0.01,  0.04,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-13.769,  15.435,  11.087)  (-13.769,  15.435,  11.087)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 34       (251.973, -153.609,  -0.039)  (252.014, -153.597,  -0.000)  ( 0.02,  0.01,  0.15)
173:     bond    (231.339, -164.452,  -0.027)  (231.370, -164.446,   0.000)  ( 0.01,  0.00,  0.07)
173:     angle   (  0.062,  -0.251,  -0.010)  (  0.070,  -0.248,   0.000)  ( 0.05,  0.09,  0.01)
173:     torsion ( -0.029,  -0.095,  -0.001)  ( -0.028,  -0.091,  -0.000)  ( 0.00,  0.03,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 20.601,  11.189,  -0.001)  ( 20.601,  11.189,  -0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 35       (-201.805, 127.701, -175.256)  (-201.780, 127.730, -175.217)  ( 0.01,  0.02,  0.02)
173:     bond    (-204.493, 105.488, -167.895)  (-204.477, 105.508, -167.867)  ( 0.01,  0.02,  0.02)
173:     angle   (  0.081,   0.023,  -0.434)  (  0.086,   0.030,  -0.425)  ( 0.04,  0.02,  0.38)
173:     torsion ( -0.086,  -0.075,  -0.062)  ( -0.083,  -0.074,  -0.061)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.694,  22.265,  -6.865)  (  2.694,  22.266,  -6.864)  ( 0.01,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 36       (-201.805, 127.701, 175.179)  (-201.780, 127.730, 175.217)  ( 0.01,  0.02,  0.02)
173:     bond    (-204.493, 105.488, 167.839)  (-204.477, 105.508, 167.867)  ( 0.01,  0.02,  0.02)
173:     angle   (  0.081,   0.023,   0.417)  (  0.086,   0.030,   0.425)  ( 0.04,  0.02,  0.36)
173:     torsion ( -0.086,  -0.075,   0.059)  ( -0.083,  -0.074,   0.061)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.694,  22.265,   6.864)  (  2.694,  22.266,   6.864)  ( 0.01,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 37       (-153.609,  -0.039, 251.973)  (-153.597,  -0.000, 252.014)  ( 0.01,  0.15,  0.02)
173:     bond    (-164.452,  -0.027, 231.339)  (-164.446,   0.000, 231.370)  ( 0.00,  0.07,  0.01)
173:     angle   ( -0.251,  -0.010,   0.062)  ( -0.248,   0.000,   0.070)  ( 0.09,  0.01,  0.05)
173:     torsion ( -0.095,  -0.001,  -0.029)  ( -0.091,  -0.000,  -0.028)  ( 0.03,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.189,  -0.001,  20.601)  ( 11.189,  -0.000,  20.601)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 38       (-201.805, -127.758, -175.256)  (-201.780, -127.730, -175.217)  ( 0.01,  0.02,  0.02)
173:     bond    (-204.493, -105.528, -167.895)  (-204.477, -105.508, -167.867)  ( 0.01,  0.02,  0.02)
173:     angle   (  0.081,  -0.037,  -0.434)  (  0.086,  -0.030,  -0.425)  ( 0.04,  0.03,  0.38)
173:     torsion ( -0.086,   0.072,  -0.062)  ( -0.083,   0.074,  -0.061)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.694, -22.266,  -6.865)  (  2.694, -22.266,  -6.864)  ( 0.01,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 39       (-201.805, -127.758, 175.179)  (-201.780, -127.730, 175.217)  ( 0.01,  0.02,  0.02)
173:     bond    (-204.493, -105.528, 167.839)  (-204.477, -105.508, 167.867)  ( 0.01,  0.02,  0.02)
173:     angle   (  0.081,  -0.037,   0.417)  (  0.086,  -0.030,   0.425)  ( 0.04,  0.03,  0.36)
173:     torsion ( -0.086,   0.072,   0.059)  ( -0.083,   0.074,   0.061)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.694, -22.266,   6.864)  (  2.694, -22.266,   6.864)  ( 0.01,  0.00,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 40       ( 79.113, -45.579, 280.385)  ( 79.148, -45.561, 280.423)  ( 0.04,  0.04,  0.01)
173:     bond    ( 65.096, -61.045, 269.764)  ( 65.121, -61.035, 269.793)  ( 0.04,  0.02,  0.01)
173:     angle   (  0.172,  -0.097,  -0.386)  (  0.180,  -0.092,  -0.379)  ( 0.15,  0.05,  0.28)
173:     torsion (  0.077,   0.128,  -0.078)  (  0.078,   0.131,  -0.077)  ( 0.01,  0.04,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.768,  15.435,  11.087)  ( 13.769,  15.435,  11.087)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 41       (-175.256, -201.805, -127.758)  (-175.217, -201.780, -127.730)  ( 0.02,  0.01,  0.02)
173:     bond    (-167.895, -204.493, -105.528)  (-167.867, -204.477, -105.508)  ( 0.02,  0.01,  0.02)
173:     angle   ( -0.434,   0.081,  -0.037)  ( -0.425,   0.086,  -0.030)  ( 0.38,  0.04,  0.03)
173:     torsion ( -0.062,  -0.086,   0.072)  ( -0.061,  -0.083,   0.074)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.865,   2.694, -22.266)  ( -6.864,   2.694, -22.266)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 42       (-280.461,  79.113,  45.542)  (-280.423,  79.148,  45.561)  ( 0.01,  0.04,  0.04)
173:     bond    (-269.822,  65.096,  61.024)  (-269.793,  65.121,  61.035)  ( 0.01,  0.04,  0.02)
173:     angle   (  0.372,   0.172,   0.087)  (  0.379,   0.180,   0.092)  ( 0.27,  0.15,  0.05)
173:     torsion (  0.076,   0.077,  -0.134)  (  0.077,   0.078,  -0.131)  ( 0.01,  0.01,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.087,  13.768, -15.435)  (-11.087,  13.769, -15.435)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 43       (175.179, -201.805, -127.758)  (175.217, -201.780, -127.730)  ( 0.02,  0.01,  0.02)
173:     bond    (167.839, -204.493, -105.528)  (167.867, -204.477, -105.508)  ( 0.02,  0.01,  0.02)
173:     angle   (  0.417,   0.081,  -0.037)  (  0.425,   0.086,  -0.030)  ( 0.36,  0.04,  0.03)
173:     torsion (  0.059,  -0.086,   0.072)  (  0.061,  -0.083,   0.074)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.864,   2.694, -22.266)  (  6.864,   2.694, -22.266)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 44       ( 45.542, 280.385, -79.182)  ( 45.561, 280.423, -79.148)  ( 0.04,  0.01,  0.04)
173:     bond    ( 61.024, 269.764, -65.145)  ( 61.035, 269.793, -65.121)  ( 0.02,  0.01,  0.04)
173:     angle   (  0.087,  -0.386,  -0.189)  (  0.092,  -0.379,  -0.180)  ( 0.05,  0.28,  0.16)
173:     torsion ( -0.134,  -0.078,  -0.079)  ( -0.131,  -0.077,  -0.078)  ( 0.04,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-15.435,  11.087, -13.769)  (-15.435,  11.087, -13.769)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 45       (-45.579, 280.385, -79.182)  (-45.561, 280.423, -79.148)  ( 0.04,  0.01,  0.04)
173:     bond    (-61.045, 269.764, -65.145)  (-61.035, 269.793, -65.121)  ( 0.02,  0.01,  0.04)
173:     angle   ( -0.097,  -0.386,  -0.189)  ( -0.092,  -0.379,  -0.180)  ( 0.05,  0.28,  0.16)
173:     torsion (  0.128,  -0.078,  -0.079)  (  0.131,  -0.077,  -0.078)  ( 0.04,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.435,  11.087, -13.769)  ( 15.435,  11.087, -13.769)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 46       ( 45.542, -280.461, -79.182)  ( 45.561, -280.423, -79.148)  ( 0.04,  0.01,  0.04)
173:     bond    ( 61.024, -269.822, -65.145)  ( 61.035, -269.793, -65.121)  ( 0.02,  0.01,  0.04)
173:     angle   (  0.087,   0.372,  -0.189)  (  0.092,   0.379,  -0.180)  ( 0.05,  0.27,  0.16)
173:     torsion ( -0.134,   0.076,  -0.079)  ( -0.131,   0.077,  -0.078)  ( 0.04,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-15.435, -11.087, -13.769)  (-15.435, -11.087, -13.769)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 47       (-127.758, -175.256, 201.756)  (-127.730, -175.217, 201.780)  ( 0.02,  0.02,  0.01)
173:     bond    (-105.528, -167.895, 204.461)  (-105.508, -167.867, 204.477)  ( 0.02,  0.02,  0.01)
173:     angle   ( -0.037,  -0.434,  -0.092)  ( -0.030,  -0.425,  -0.086)  ( 0.03,  0.38,  0.05)
173:     torsion (  0.072,  -0.062,   0.081)  (  0.074,  -0.061,   0.083)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-22.266,  -6.865,  -2.694)  (-22.266,  -6.864,  -2.694)  ( 0.00,  0.01,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 48       (-153.609,  -0.039, -252.054)  (-153.597,   0.000, -252.014)  ( 0.01,  0.15,  0.02)
173:     bond    (-164.452,  -0.027, -231.402)  (-164.446,   0.000, -231.370)  ( 0.00,  0.07,  0.01)
173:     angle   ( -0.251,  -0.010,  -0.078)  ( -0.248,   0.000,  -0.070)  ( 0.09,  0.01,  0.06)
173:     torsion ( -0.095,  -0.001,   0.027)  ( -0.091,   0.000,   0.028)  ( 0.03,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.189,  -0.001, -20.602)  ( 11.189,   0.000, -20.601)  ( 0.00,  0.00,  0.00)
174: 50       ( 17.226,  18.672,  -6.621)  ( 17.231,  18.698,  -6.616)  ( 0.03,  0.14,  0.08)
174:     bond    ( -2.772,  16.961,  -4.316)  ( -2.771,  16.986,  -4.315)  ( 0.02,  0.15,  0.04)
174:     angle   ( 54.172,   5.135, -14.584)  ( 54.176,   5.135, -14.580)  ( 0.01,  0.01,  0.02)
174:     torsion ( -5.480,  -2.138,  -4.896)  ( -5.480,  -2.138,  -4.896)  ( 0.00,  0.00,  0.00)
174:     vdw     (-28.694,  -1.286,  17.174)  (-28.693,  -1.286,  17.174)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 51       (-33.794,  24.274, -40.682)  (-33.779,  24.281, -40.666)  ( 0.04,  0.03,  0.04)
174:     bond    ( 30.352, -12.598, -34.901)  ( 30.363, -12.597, -34.887)  ( 0.04,  0.01,  0.04)
174:     angle   (  7.193, -51.789,  24.959)  (  7.196, -51.786,  24.961)  ( 0.03,  0.01,  0.01)
174:     torsion (  2.155,  -1.693,   2.487)  (  2.155,  -1.693,   2.487)  ( 0.00,  0.00,  0.00)
174:     vdw     (-73.494,  90.354, -33.227)  (-73.493,  90.357, -33.227)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 52       (-24.612,   5.524,  -7.324)  (-24.604,   5.545,  -7.317)  ( 0.03,  0.39,  0.09)
174:     bond    ( -6.378,  13.625,  -4.792)  ( -6.374,  13.645,  -4.789)  ( 0.07,  0.15,  0.05)
174:     angle   (-44.477, -15.621,  14.682)  (-44.474, -15.620,  14.686)  ( 0.01,  0.01,  0.02)
174:     torsion (  0.169,  -0.561,  -1.823)  (  0.169,  -0.560,  -1.822)  ( 0.00,  0.00,  0.01)
174:     vdw     ( 26.075,   8.080, -15.392)  ( 26.075,   8.080, -15.392)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 53       ( -3.184,  -0.113,  25.824)  ( -3.174,  -0.108,  25.845)  ( 0.33,  0.06,  0.08)
174:     bond    ( 16.833,   6.637,  27.999)  ( 16.840,   6.638,  28.018)  ( 0.04,  0.01,  0.07)
174:     angle   (  4.218, -41.377,   7.264)  (  4.221, -41.373,   7.265)  ( 0.07,  0.01,  0.02)
174:     torsion ( -0.788,   0.868,   0.268)  ( -0.788,   0.868,   0.268)  ( 0.01,  0.01,  0.00)
174:     vdw     (-23.447,  33.759,  -9.706)  (-23.447,  33.760,  -9.706)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 54       ( 81.847, -35.310,  -1.568)  ( 81.851, -35.301,  -1.545)  ( 0.01,  0.03,  1.51)
174:     bond    (  1.892,  19.246, -43.726)  (  1.892,  19.250, -43.702)  ( 0.01,  0.02,  0.05)
174:     angle   (  2.957,  31.634,  14.063)  (  2.960,  31.638,  14.064)  ( 0.10,  0.01,  0.00)
174:     torsion (  1.196,   2.026,   0.944)  (  1.196,   2.026,   0.944)  ( 0.00,  0.01,  0.00)
174:     vdw     ( 75.802, -88.217,  27.149)  ( 75.804, -88.215,  27.149)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 55       ( 40.739,  13.177,  25.000)  ( 40.743,  13.194,  25.016)  ( 0.01,  0.13,  0.06)
174:     bond    ( -1.726,  27.095,  26.826)  ( -1.726,  27.109,  26.840)  ( 0.01,  0.05,  0.05)
174:     angle   ( 22.711,  16.443, -15.151)  ( 22.714,  16.445, -15.149)  ( 0.01,  0.01,  0.01)
174:     torsion ( -1.073,  -1.363,   1.308)  ( -1.073,  -1.363,   1.308)  ( 0.00,  0.00,  0.01)
174:     vdw     ( 20.827, -28.997,  12.017)  ( 20.828, -28.996,  12.017)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 56       ( 27.462,  23.808,  27.353)  ( 27.466,  23.818,  27.375)  ( 0.02,  0.04,  0.08)
174:     bond    ( -0.412,  -4.156,   7.487)  ( -0.412,  -4.149,   7.508)  ( 0.00,  0.16,  0.28)
174:     angle   ( -6.861,   6.239,   3.072)  ( -6.858,   6.242,   3.073)  ( 0.04,  0.04,  0.03)
174:     torsion (  3.628,  -1.846,  -0.821)  (  3.628,  -1.846,  -0.821)  ( 0.00,  0.01,  0.00)
174:     vdw     ( 31.106,  23.571,  17.615)  ( 31.107,  23.572,  17.615)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 57       (  5.898,   8.179, -34.688)  (  5.902,   8.194, -34.671)  ( 0.07,  0.18,  0.05)
174:     bond    (  0.673, -10.054, -10.747)  (  0.673, -10.041, -10.733)  ( 0.00,  0.13,  0.14)
174:     angle   (  2.789,   9.500,  -8.716)  (  2.792,   9.501,  -8.714)  ( 0.10,  0.02,  0.02)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 49       ( 79.113,  45.542, 280.385)  ( 79.148,  45.561, 280.423)  ( 0.04,  0.04,  0.01)
173:     bond    ( 65.096,  61.024, 269.764)  ( 65.121,  61.035, 269.793)  ( 0.04,  0.02,  0.01)
173:     angle   (  0.172,   0.087,  -0.386)  (  0.180,   0.092,  -0.379)  ( 0.15,  0.05,  0.28)
173:     torsion (  0.077,  -0.134,  -0.078)  (  0.078,  -0.131,  -0.077)  ( 0.01,  0.04,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.768, -15.435,  11.087)  ( 13.769, -15.435,  11.087)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 50       (-175.256, 201.756, -127.758)  (-175.217, 201.780, -127.730)  ( 0.02,  0.01,  0.02)
173:     bond    (-167.895, 204.461, -105.528)  (-167.867, 204.477, -105.508)  ( 0.02,  0.01,  0.02)
173:     angle   ( -0.434,  -0.092,  -0.037)  ( -0.425,  -0.086,  -0.030)  ( 0.38,  0.05,  0.03)
173:     torsion ( -0.062,   0.081,   0.072)  ( -0.061,   0.083,   0.074)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.865,  -2.694, -22.266)  ( -6.864,  -2.694, -22.266)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 51       (-45.579, -280.461, -79.182)  (-45.561, -280.423, -79.148)  ( 0.04,  0.01,  0.04)
173:     bond    (-61.045, -269.822, -65.145)  (-61.035, -269.793, -65.121)  ( 0.02,  0.01,  0.04)
173:     angle   ( -0.097,   0.372,  -0.189)  ( -0.092,   0.379,  -0.180)  ( 0.05,  0.27,  0.16)
173:     torsion (  0.128,   0.076,  -0.079)  (  0.131,   0.077,  -0.078)  ( 0.04,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.435, -11.087, -13.769)  ( 15.435, -11.087, -13.769)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 52       (127.701, -175.256, 201.756)  (127.730, -175.217, 201.780)  ( 0.02,  0.02,  0.01)
173:     bond    (105.488, -167.895, 204.461)  (105.508, -167.867, 204.477)  ( 0.02,  0.02,  0.01)
173:     angle   (  0.023,  -0.434,  -0.092)  (  0.030,  -0.425,  -0.086)  ( 0.02,  0.38,  0.05)
173:     torsion ( -0.075,  -0.062,   0.081)  ( -0.074,  -0.061,   0.083)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 22.265,  -6.865,  -2.694)  ( 22.266,  -6.864,  -2.694)  ( 0.00,  0.01,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 53       (280.385,  79.113,  45.542)  (280.423,  79.148,  45.561)  ( 0.01,  0.04,  0.04)
173:     bond    (269.764,  65.096,  61.024)  (269.793,  65.121,  61.035)  ( 0.01,  0.04,  0.02)
173:     angle   ( -0.386,   0.172,   0.087)  ( -0.379,   0.180,   0.092)  ( 0.28,  0.15,  0.05)
173:     torsion ( -0.078,   0.077,  -0.134)  ( -0.077,   0.078,  -0.131)  ( 0.01,  0.01,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.087,  13.768, -15.435)  ( 11.087,  13.769, -15.435)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 54       ( -0.039, 251.973, 153.584)  (  0.000, 252.014, 153.597)  ( 0.15,  0.02,  0.01)
173:     bond    ( -0.027, 231.339, 164.441)  (  0.000, 231.370, 164.446)  ( 0.07,  0.01,  0.00)
173:     angle   ( -0.010,   0.062,   0.245)  (  0.000,   0.070,   0.248)  ( 0.01,  0.05,  0.08)
173:     torsion ( -0.001,  -0.029,   0.087)  (  0.000,  -0.028,   0.091)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.001,  20.601, -11.189)  ( -0.000,  20.601, -11.189)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 55       (127.701, 175.179, 201.756)  (127.730, 175.217, 201.780)  ( 0.02,  0.02,  0.01)
173:     bond    (105.488, 167.839, 204.461)  (105.508, 167.867, 204.477)  ( 0.02,  0.02,  0.01)
174:     torsion ( -3.331,   3.439,  -3.426)  ( -3.331,   3.439,  -3.426)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.767,   5.294, -11.798)  (  5.768,   5.295, -11.798)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 58       ( -5.885,  -8.931, -52.790)  ( -5.882,  -8.918, -52.771)  ( 0.05,  0.14,  0.04)
174:     bond    (  0.309,  11.548, -14.901)  (  0.309,  11.558, -14.884)  ( 0.00,  0.09,  0.12)
174:     angle   ( -5.702,  -5.199,  -4.155)  ( -5.699,  -5.197,  -4.154)  ( 0.05,  0.03,  0.03)
174:     torsion ( -0.002,  -2.821,  -2.191)  ( -0.002,  -2.821,  -2.191)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.490, -12.458, -31.543)  ( -0.490, -12.458, -31.542)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 59       (  9.458,  -4.008,  17.326)  (  9.462,  -3.993,  17.342)  ( 0.04,  0.36,  0.10)
174:     bond    ( -0.858,  -7.737,   8.410)  ( -0.858,  -7.725,   8.425)  ( 0.01,  0.16,  0.18)
174:     angle   (  0.951,  16.311,  15.052)  (  0.953,  16.313,  15.053)  ( 0.28,  0.01,  0.01)
174:     torsion (  6.189,  -5.933,  -4.809)  (  6.189,  -5.933,  -4.809)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.178,  -6.649,  -1.327)  (  3.178,  -6.649,  -1.327)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 60       (  1.202,   7.569, -16.604)  (  1.206,   7.579, -16.583)  ( 0.36,  0.13,  0.13)
174:     bond    ( -0.741,  -4.985,  -8.670)  ( -0.741,  -4.978,  -8.650)  ( 0.01,  0.14,  0.24)
174:     angle   ( 19.298,  11.561,  -8.309)  ( 19.301,  11.564,  -8.308)  ( 0.02,  0.02,  0.01)
174:     torsion ( -4.603,   8.550,  -4.527)  ( -4.603,   8.550,  -4.527)  ( 0.00,  0.00,  0.00)
174:     vdw     (-12.753,  -7.557,   4.902)  (-12.751,  -7.557,   4.902)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 61       (  0.222,  16.889, -44.780)  (  0.225,  16.915, -44.775)  ( 0.08,  0.15,  0.01)
174:     bond    ( -1.386,  20.860,  -6.064)  ( -1.386,  20.885,  -6.062)  ( 0.00,  0.12,  0.03)
174:     angle   ( -3.325,  -5.687, -18.836)  ( -3.322,  -5.687, -18.834)  ( 0.08,  0.00,  0.01)
174:     torsion (  7.603,  -5.139, -19.445)  (  7.603,  -5.139, -19.445)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.671,   6.856,  -0.436)  ( -2.671,   6.856,  -0.435)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 62       (-11.163, -22.804,  19.699)  (-11.158, -22.782,  19.706)  ( 0.04,  0.10,  0.04)
174:     bond    (  5.612, -18.339,   8.759)  (  5.614, -18.318,   8.764)  ( 0.03,  0.11,  0.05)
174:     angle   (-10.045,   6.500,  20.018)  (-10.042,   6.501,  20.021)  ( 0.02,  0.01,  0.02)
174:     torsion ( -6.192,  -3.697,  -3.761)  ( -6.192,  -3.697,  -3.761)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.538,  -7.268,  -5.318)  ( -0.538,  -7.268,  -5.318)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 63       ( -7.929,  12.434, -29.237)  ( -7.923,  12.439, -29.213)  ( 0.08,  0.04,  0.08)
174:     bond    ( -8.382,  -4.333, -22.492)  ( -8.379,  -4.333, -22.469)  ( 0.04,  0.02,  0.10)
174:     angle   (-19.664,  13.436,   4.740)  (-19.662,  13.440,   4.740)  ( 0.01,  0.03,  0.01)
174:     torsion (  2.869,   6.025,  -2.232)  (  2.869,   6.025,  -2.232)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 17.248,  -2.694,  -9.253)  ( 17.248,  -2.694,  -9.253)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 64       ( -4.731, -155.892,  91.597)  ( -4.731, -155.852,  91.604)  ( 0.01,  0.03,  0.01)
174:     bond    (-17.037, -174.637,  46.452)  (-17.036, -174.598,  46.456)  ( 0.01,  0.02,  0.01)
174:     angle   ( -0.653,   3.633,  13.413)  ( -0.653,   3.633,  13.415)  ( 0.00,  0.01,  0.02)
174:     torsion ( 11.026,  -0.870,   0.773)  ( 11.026,  -0.870,   0.773)  ( 0.01,  0.00,  0.00)
174:     vdw     (  0.985,  17.333,  30.587)  (  0.985,  17.333,  30.588)  ( 0.01,  0.00,  0.00)
174:     electro (  0.947,  -1.351,   0.372)  (  0.947,  -1.351,   0.372)  ( 0.00,  0.00,  0.00)
173:     angle   (  0.023,   0.417,  -0.092)  (  0.030,   0.425,  -0.086)  ( 0.02,  0.36,  0.05)
173:     torsion ( -0.075,   0.059,   0.081)  ( -0.074,   0.061,   0.083)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 22.265,   6.864,  -2.694)  ( 22.266,   6.864,  -2.694)  ( 0.00,  0.01,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 56       (-127.758, 175.179, 201.756)  (-127.730, 175.217, 201.780)  ( 0.02,  0.02,  0.01)
173:     bond    (-105.528, 167.839, 204.461)  (-105.508, 167.867, 204.477)  ( 0.02,  0.02,  0.01)
173:     angle   ( -0.037,   0.417,  -0.092)  ( -0.030,   0.425,  -0.086)  ( 0.03,  0.36,  0.05)
173:     torsion (  0.072,   0.059,   0.081)  (  0.074,   0.061,   0.083)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-22.266,   6.864,  -2.694)  (-22.266,   6.864,  -2.694)  ( 0.00,  0.01,  0.01)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 57       (175.179, 201.756, -127.758)  (175.217, 201.780, -127.730)  ( 0.02,  0.01,  0.02)
173:     bond    (167.839, 204.461, -105.528)  (167.867, 204.477, -105.508)  ( 0.02,  0.01,  0.02)
173:     angle   (  0.417,  -0.092,  -0.037)  (  0.425,  -0.086,  -0.030)  ( 0.36,  0.05,  0.03)
173:     torsion (  0.059,   0.081,   0.072)  (  0.061,   0.083,   0.074)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.864,  -2.694, -22.266)  (  6.864,  -2.694, -22.266)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 58       (-280.461, -79.182,  45.542)  (-280.423, -79.148,  45.561)  ( 0.01,  0.04,  0.04)
173:     bond    (-269.822, -65.145,  61.024)  (-269.793, -65.121,  61.035)  ( 0.01,  0.04,  0.02)
173:     angle   (  0.372,  -0.189,   0.087)  (  0.379,  -0.180,   0.092)  ( 0.27,  0.16,  0.05)
173:     torsion (  0.076,  -0.079,  -0.134)  (  0.077,  -0.078,  -0.131)  ( 0.01,  0.01,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.087, -13.769, -15.435)  (-11.087, -13.769, -15.435)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 59       (280.385, -79.182,  45.542)  (280.423, -79.148,  45.561)  ( 0.01,  0.04,  0.04)
173:     bond    (269.764, -65.145,  61.024)  (269.793, -65.121,  61.035)  ( 0.01,  0.04,  0.02)
173:     angle   ( -0.386,  -0.189,   0.087)  ( -0.379,  -0.180,   0.092)  ( 0.28,  0.16,  0.05)
173:     torsion ( -0.078,  -0.079,  -0.134)  ( -0.077,  -0.078,  -0.131)  ( 0.01,  0.01,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.087, -13.769, -15.435)  ( 11.087, -13.769, -15.435)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: 60       ( -0.039, -252.054, 153.584)  ( -0.000, -252.014, 153.597)  ( 0.15,  0.02,  0.01)
173:     bond    ( -0.027, -231.402, 164.441)  (  0.000, -231.370, 164.446)  ( 0.07,  0.01,  0.00)
173:     angle   ( -0.010,  -0.078,   0.245)  (  0.000,  -0.070,   0.248)  ( 0.01,  0.06,  0.08)
173:     torsion ( -0.001,   0.027,   0.087)  ( -0.000,   0.028,   0.091)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.001, -20.602, -11.189)  (  0.000, -20.601, -11.189)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173: ok 18 # gradients 
173: ok 19 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (128.296, -35.573,  -1.888)  (128.330, -35.535,  -1.883)  ( 0.03,  0.11,  0.29)
174: 65       (-537.893, -18.195, 271.533)  (-537.846, -18.192, 271.542)  ( 0.01,  0.01,  0.00)
174:     bond    (-318.057, -51.391,   7.139)  (-318.016, -51.389,   7.141)  ( 0.01,  0.01,  0.02)
174:     angle   (  1.368,  -2.834,  40.547)  (  1.369,  -2.834,  40.550)  ( 0.00,  0.00,  0.01)
174:     torsion ( -6.132,  38.351,   2.887)  ( -6.132,  38.352,   2.887)  ( 0.00,  0.00,  0.00)
174:     vdw     (-212.980,  -2.100, 217.731)  (-212.975,  -2.101, 217.735)  ( 0.00,  0.03,  0.00)
174:     electro ( -2.092,  -0.220,   3.229)  ( -2.092,  -0.220,   3.229)  ( 0.00,  0.00,  0.00)
174: ok 14 # gradients 
174: ok 15 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (166.260, -124.810, -60.501)  (166.338, -124.744, -60.475)  ( 0.05,  0.05,  0.04)
174:     bond    (-26.883, -147.726, -90.013)  (-26.816, -147.672, -89.993)  ( 0.25,  0.04,  0.02)
174:     angle   (190.780,  16.997,  38.464)  (190.792,  17.008,  38.468)  ( 0.01,  0.06,  0.01)
174:     torsion (  1.643,   5.589,  -9.269)  (  1.643,   5.590,  -9.267)  ( 0.00,  0.01,  0.02)
174:     vdw     (  1.136,   0.027,   0.420)  (  1.136,   0.027,   0.420)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.417,   0.303,  -0.103)  ( -0.417,   0.303,  -0.103)  ( 0.00,  0.00,  0.00)
174:  2       (-297.442,  96.061,  13.554)  (-297.360,  96.124,  13.580)  ( 0.03,  0.07,  0.19)
174:     bond    (-129.145, 138.142,  49.204)  (-129.074, 138.195,  49.224)  ( 0.06,  0.04,  0.04)
174:     angle   (-166.550, -33.495, -45.045)  (-166.539, -33.485, -45.042)  ( 0.01,  0.03,  0.01)
174:     torsion ( -2.365,  -6.507,  10.958)  ( -2.365,  -6.506,  10.961)  ( 0.01,  0.01,  0.02)
174:     vdw     (  0.160,  -1.116,  -0.733)  (  0.160,  -1.116,  -0.733)  ( 0.00,  0.00,  0.00)
174:     electro (  0.459,  -0.964,  -0.830)  (  0.459,  -0.964,  -0.830)  ( 0.00,  0.00,  0.00)
174:  3       ( -9.374,  44.901,  10.754)  ( -9.292,  44.960,  10.779)  ( 0.88,  0.13,  0.23)
174:     bond    ( 19.883, -14.941,   1.560)  ( 19.953, -14.890,   1.579)  ( 0.35,  0.34,  1.26)
174:     angle   (-34.122,  46.870,  31.364)  (-34.110,  46.878,  31.368)  ( 0.03,  0.02,  0.01)
174:     torsion (  4.521,  13.586, -22.108)  (  4.521,  13.587, -22.106)  ( 0.00,  0.01,  0.01)
174:     vdw     (  0.345,  -0.614,  -0.062)  (  0.345,  -0.614,  -0.062)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (-124.051, -215.622, -108.163)  (-123.960, -215.557, -108.137)  ( 0.07,  0.03,  0.02)
174:     bond    (-57.493, -82.447, -62.641)  (-57.414, -82.393, -62.620)  ( 0.14,  0.06,  0.03)
174:     angle   (-65.102, -130.239, -41.819)  (-65.090, -130.228, -41.816)  ( 0.02,  0.01,  0.01)
174:     torsion ( -0.390,  -1.566,  -3.103)  ( -0.390,  -1.565,  -3.101)  ( 0.00,  0.06,  0.06)
174:     vdw     ( -1.066,  -1.370,  -0.600)  ( -1.066,  -1.370,  -0.600)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-96.373, -281.104, -157.053)  (-96.286, -281.046, -157.025)  ( 0.09,  0.02,  0.02)
174:     bond    ( 35.164, -188.308, -106.187)  ( 35.239, -188.263, -106.166)  ( 0.21,  0.02,  0.02)
174:     angle   (-128.195, -84.691, -69.739)  (-128.183, -84.679, -69.735)  ( 0.01,  0.01,  0.01)
174:     torsion ( -3.475, -11.451,  18.110)  ( -3.475, -11.450,  18.112)  ( 0.00,  0.01,  0.01)
174:     vdw     (  0.841,   0.225,   0.383)  (  0.841,   0.225,   0.383)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.709,   3.122,   0.381)  ( -0.709,   3.122,   0.381)  ( 0.00,  0.00,  0.00)
174:  6       (135.392, 231.857,  41.616)  (135.485, 231.944,  41.619)  ( 0.07,  0.04,  0.01)
174:     bond    ( 63.298,  98.989, -13.836)  ( 63.378,  99.062, -13.837)  ( 0.13,  0.07,  0.00)
174:     angle   ( 70.873, 127.550,  32.227)  ( 70.885, 127.563,  32.227)  ( 0.02,  0.01,  0.00)
174:     torsion (  0.010,   3.655,  22.816)  (  0.010,   3.656,  22.819)  ( 0.00,  0.01,  0.01)
174:     vdw     (  1.212,   1.662,   0.409)  (  1.212,   1.662,   0.409)  ( 0.00,  0.00,  0.00)
173:     bond    (218.773, -102.594,   0.838)  (218.799, -102.565,   0.837)  ( 0.01,  0.03,  0.06)
173:     angle   (-68.683, 105.729,   0.647)  (-68.676, 105.737,   0.647)  ( 0.01,  0.01,  0.02)
173:     torsion (  0.038,   0.040,  -3.549)  (  0.038,   0.040,  -3.543)  ( 0.00,  0.00,  0.17)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-20.813, -37.299,   0.127)  (-20.813, -37.298,   0.126)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.019,  -1.448,   0.050)  ( -1.019,  -1.448,   0.050)  ( 0.00,  0.00,  0.00)
173:  2       (281.068, -1188.291, -17.634)  (281.102, -1188.250, -17.626)  ( 0.01,  0.00,  0.04)
173:     bond    (199.175, -1090.331, -15.615)  (199.206, -1090.299, -15.611)  ( 0.02,  0.00,  0.02)
173:     angle   ( 69.460, -67.272,   0.308)  ( 69.464, -67.264,   0.307)  ( 0.00,  0.01,  0.01)
173:     torsion ( -0.023,   0.021,  -1.836)  ( -0.023,   0.021,  -1.832)  ( 0.00,  0.00,  0.22)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.333, -37.494,  -0.530)  ( 15.333, -37.493,  -0.530)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.877,   6.785,   0.040)  ( -2.877,   6.785,   0.040)  ( 0.00,  0.00,  0.00)
173:  3       (-95.225,  97.149,   0.483)  (-95.191,  97.186,   0.488)  ( 0.04,  0.04,  0.23)
173:     bond    ( 63.762, 122.448,  -0.384)  ( 63.785, 122.476,  -0.384)  ( 0.04,  0.02,  0.01)
173:     angle   (-186.520, -27.262,   1.747)  (-186.510, -27.252,   1.749)  ( 0.01,  0.03,  0.10)
173:     torsion (  0.007,  -0.009,  -0.836)  (  0.007,  -0.009,  -0.832)  ( 0.00,  0.00,  0.27)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 29.633,   0.508,  -0.018)  ( 29.634,   0.508,  -0.018)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.107,   1.463,  -0.026)  ( -2.107,   1.463,  -0.026)  ( 0.00,  0.00,  0.00)
173:  4       ( 94.737, 157.424,  -0.489)  ( 94.780, 157.473,  -0.485)  ( 0.05,  0.03,  0.19)
173:     bond    (-46.361, -63.712,   0.736)  (-46.328, -63.677,   0.736)  ( 0.07,  0.06,  0.01)
173:     angle   (123.050, 192.290,  -1.188)  (123.061, 192.303,  -1.188)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.003,  -0.009,   1.181)  ( -0.003,  -0.009,   1.185)  ( 0.00,  0.00,  0.33)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 22.661,  34.033,  -1.182)  ( 22.662,  34.034,  -1.182)  ( 0.00,  0.00,  0.01)
173:     electro ( -4.612,  -5.178,  -0.035)  ( -4.612,  -5.178,  -0.035)  ( 0.00,  0.00,  0.00)
173:  5       ( 50.085,  46.745,  -5.713)  ( 50.097,  46.767,  -5.713)  ( 0.02,  0.05,  0.01)
173:     bond    ( 19.816,  34.187,  -0.459)  ( 19.823,  34.207,  -0.459)  ( 0.03,  0.06,  0.01)
173:     angle   ( -3.956,   2.291,   0.156)  ( -3.952,   2.292,   0.156)  ( 0.08,  0.05,  0.00)
173:     torsion (  0.006,   0.008,   0.847)  (  0.006,   0.008,   0.847)  ( 0.00,  0.00,  0.06)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 36.360,  13.815,  -6.604)  ( 36.362,  13.816,  -6.604)  ( 0.01,  0.01,  0.00)
173:     electro ( -2.141,  -3.556,   0.346)  ( -2.141,  -3.556,   0.346)  ( 0.00,  0.00,  0.00)
173:  6       ( 41.005, -127.450,  -1.432)  ( 41.044, -127.413,  -1.426)  ( 0.10,  0.03,  0.42)
173:     bond    ( 11.187,  -3.409,  -0.560)  ( 11.216,  -3.383,  -0.559)  ( 0.26,  0.74,  0.02)
173:     angle   ( 48.460, -158.897,   1.836)  ( 48.470, -158.886,   1.838)  ( 0.02,  0.01,  0.12)
173:     torsion ( -0.002,  -0.007,  -2.722)  ( -0.002,  -0.007,  -2.718)  ( 0.00,  0.00,  0.13)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-21.313,  35.607,   0.035)  (-21.313,  35.608,   0.035)  ( 0.00,  0.00,  0.00)
173:     electro (  2.674,  -0.745,  -0.021)  (  2.674,  -0.745,  -0.021)  ( 0.00,  0.00,  0.00)
173:  7       (-172.336, 176.366,   1.808)  (-172.289, 176.402,   1.812)  ( 0.03,  0.02,  0.22)
173:     bond    (-39.092, 208.455,   0.645)  (-39.056, 208.480,   0.644)  ( 0.09,  0.01,  0.05)
173:     angle   (-117.591, -37.558,  -0.021)  (-117.580, -37.549,  -0.021)  ( 0.01,  0.03,  0.00)
173:     torsion ( -0.015,  -0.016,   1.697)  ( -0.015,  -0.016,   1.702)  ( 0.00,  0.00,  0.27)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-26.856,   1.037,  -0.590)  (-26.855,   1.037,  -0.590)  ( 0.00,  0.02,  0.00)
173:     electro ( 11.217,   4.449,   0.077)  ( 11.217,   4.449,   0.078)  ( 0.00,  0.00,  0.00)
173:  8       (-71.877,  25.255,  -1.766)  (-71.850,  25.261,  -1.766)  ( 0.04,  0.02,  0.04)
173:     bond    (-48.136,   0.639,  -0.319)  (-48.109,   0.639,  -0.319)  ( 0.06,  0.01,  0.01)
173:     angle   (  0.447,  33.751,   0.218)  (  0.447,  33.755,   0.219)  ( 0.00,  0.01,  0.00)
173:     torsion ( -0.002,   0.001,   0.249)  ( -0.002,   0.001,   0.250)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-18.882, -13.305,  -1.995)  (-18.882, -13.304,  -1.995)  ( 0.00,  0.01,  0.00)
173:     electro ( -5.304,   4.169,   0.081)  ( -5.304,   4.169,   0.081)  ( 0.00,  0.00,  0.00)
173:  9       (107.964,  16.302,   0.120)  (107.998,  16.335,   0.125)  ( 0.03,  0.21,  0.06)
173:     bond    (-114.432, -52.818,  -1.214)  (-114.405, -52.794,  -1.215)  ( 0.02,  0.05,  0.03)
173:     angle   (213.876,  81.450,   1.116)  (213.883,  81.460,   1.118)  ( 0.00,  0.01,  0.23)
173:     torsion ( -0.007,   0.012,   0.300)  ( -0.007,   0.012,   0.303)  ( 0.00,  0.00,  0.09)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.635,  -6.803,  -0.038)  (  4.635,  -6.803,  -0.038)  ( 0.00,  0.00,  0.00)
173:     electro (  3.892,  -5.540,  -0.044)  (  3.892,  -5.540,  -0.044)  ( 0.00,  0.00,  0.00)
173: 10       (-1232.123, 378.660,   7.823)  (-1232.101, 378.688,   7.832)  ( 0.00,  0.01,  0.11)
173:     bond    (-1219.073, 393.320,   6.949)  (-1219.052, 393.348,   6.957)  ( 0.00,  0.01,  0.11)
173:     angle   (  0.014,   0.007,  -0.000)  (  0.014,   0.007,  -0.000)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.013,  -0.025,   1.906)  (  0.013,  -0.025,   1.907)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-15.447, -14.655,  -1.091)  (-15.447, -14.655,  -1.091)  ( 0.00,  0.00,  0.00)
173:     electro (  2.370,   0.013,   0.059)  (  2.370,   0.013,   0.059)  ( 0.00,  0.00,  0.00)
173: 11       (868.110, 416.293,   5.883)  (868.142, 416.327,   5.888)  ( 0.00,  0.01,  0.09)
173:     bond    (931.068, 534.771,   7.333)  (931.096, 534.801,   7.337)  ( 0.00,  0.01,  0.05)
173:     angle   (-66.254, -120.686,  -1.778)  (-66.250, -120.682,  -1.778)  ( 0.01,  0.00,  0.01)
173:     torsion ( -0.003,  -0.008,   0.240)  ( -0.003,  -0.008,   0.242)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.363,   1.247,   0.074)  (  3.363,   1.247,   0.074)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.064,   0.969,   0.013)  ( -0.064,   0.969,   0.013)  ( 0.00,  0.00,  0.00)
173: 12       ( 38.119,  -4.461,   4.327)  ( 38.147,  -4.433,   4.353)  ( 0.07,  0.64,  0.60)
173:     bond    ( 43.122,  15.663,   2.939)  ( 43.141,  15.682,   2.958)  ( 0.04,  0.12,  0.64)
173:     angle   ( -3.080,  -2.207,   0.710)  ( -3.071,  -2.198,   0.717)  ( 0.27,  0.41,  0.47)
173:     torsion ( -0.010,  -0.019,   0.925)  ( -0.010,  -0.019,   0.926)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.869, -18.372,  -0.253)  ( -1.869, -18.372,  -0.253)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.044,   0.475,   0.006)  ( -0.044,   0.475,   0.006)  ( 0.00,  0.00,  0.00)
173: 13       ( -3.814, -21.443,  -0.726)  ( -3.787, -21.414,  -0.700)  ( 0.71,  0.13,  1.87)
173:     bond    (-37.132,  -0.822,  -0.015)  (-37.114,  -0.803,   0.004)  ( 0.05,  1.54,  0.03)
173:     angle   (  8.038,  -2.248,  -1.177)  (  8.046,  -2.239,  -1.170)  ( 0.10,  0.41,  0.57)
173:     torsion (  0.005,   0.002,   0.437)  (  0.005,   0.002,   0.438)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 25.611, -18.535,   0.028)  ( 25.611, -18.535,   0.028)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.336,   0.160,   0.000)  ( -0.336,   0.160,   0.000)  ( 0.00,  0.00,  0.00)
173: 14       ( -5.268,   4.089,  -1.753)  ( -5.240,   4.116,  -1.727)  ( 0.55,  0.68,  1.47)
173:     bond    ( 18.838, -35.431,  -0.855)  ( 18.857, -35.412,  -0.837)  ( 0.10,  0.05,  1.61)
173:     angle   ( -2.977,   9.335,  -1.958)  ( -2.968,   9.344,  -1.951)  ( 0.30,  0.09,  0.34)
173:     torsion ( -0.005,   0.011,   1.087)  ( -0.005,   0.011,   1.088)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-21.392,  30.685,  -0.028)  (-21.391,  30.686,  -0.028)  ( 0.01,  0.00,  0.00)
173:     electro (  0.268,  -0.512,   0.001)  (  0.268,  -0.512,   0.001)  ( 0.00,  0.00,  0.00)
173: 15       (-13.220,  31.091,   0.684)  (-13.218,  31.106,   0.684)  ( 0.01,  0.05,  0.03)
173:     bond    ( -0.154,  33.589,   0.740)  ( -0.154,  33.604,   0.740)  ( 0.00,  0.04,  0.01)
173:     angle   (-15.890,  -0.071,  -0.069)  (-15.888,  -0.071,  -0.069)  ( 0.01,  0.00,  0.00)
173:     torsion ( -0.000,  -0.001,   0.039)  ( -0.000,  -0.001,   0.039)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.026,  -0.316,   0.002)  (  1.026,  -0.316,   0.002)  ( 0.00,  0.00,  0.00)
173:     electro (  1.799,  -2.110,  -0.028)  (  1.799,  -2.110,  -0.028)  ( 0.00,  0.00,  0.00)
173: 16       ( -1.881,  -8.801,  -0.757)  ( -1.878,  -8.787,  -0.755)  ( 0.13,  0.16,  0.15)
173:     bond    ( -0.134,  -8.107,  -0.342)  ( -0.134,  -8.093,  -0.342)  ( 0.00,  0.17,  0.00)
173:     angle   (  2.859,  -0.034,  -0.321)  (  2.862,  -0.034,  -0.319)  ( 0.09,  0.00,  0.07)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.279,  -0.650,  -0.070)  ( -3.279,  -0.650,  -0.070)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.328,  -0.010,  -0.024)  ( -1.328,  -0.010,  -0.024)  ( 0.00,  0.00,  0.00)
173: 17       ( -4.370,   0.985,   5.557)  ( -4.365,   0.988,   5.567)  ( 0.11,  0.32,  0.19)
173:     bond    ( -2.662,   1.728,   4.686)  ( -2.659,   1.730,   4.695)  ( 0.12,  0.07,  0.21)
173:     angle   (  0.322,   0.016,   0.176)  (  0.323,   0.018,   0.177)  ( 0.06,  0.00,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.867,  -1.505,   0.633)  ( -0.867,  -1.504,   0.633)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.161,   0.746,   0.063)  ( -1.161,   0.746,   0.063)  ( 0.00,  0.00,  0.00)
173: 18       ( -5.504,   1.672,  -8.084)  ( -5.499,   1.676,  -8.074)  ( 0.09,  0.23,  0.12)
173:     bond    ( -3.864,   3.113,  -6.665)  ( -3.861,   3.115,  -6.656)  ( 0.08,  0.06,  0.14)
173:     angle   (  0.665,  -0.087,  -0.428)  (  0.667,  -0.086,  -0.427)  ( 0.13,  0.02,  0.03)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.126,  -2.162,  -0.950)  ( -1.126,  -2.162,  -0.950)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.179,   0.809,  -0.041)  ( -1.179,   0.809,  -0.041)  ( 0.00,  0.00,  0.00)
173: 19       (  2.471,   2.206,  -8.584)  (  2.474,   2.208,  -8.571)  ( 0.15,  0.13,  0.14)
173:     bond    (  2.793,   2.223,  -8.000)  (  2.794,   2.224,  -7.988)  ( 0.05,  0.04,  0.15)
173:     angle   ( -1.138,   0.137,  -0.359)  ( -1.136,   0.139,  -0.359)  ( 0.19,  0.03,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.125,  -0.749,  -0.532)  (  1.125,  -0.748,  -0.532)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.309,   0.594,   0.307)  ( -0.309,   0.594,   0.307)  ( 0.00,  0.00,  0.00)
173: 20       ( 11.893,  -3.594,   3.602)  ( 11.897,  -3.582,   3.605)  ( 0.04,  0.34,  0.07)
173:     bond    (  3.073,  -7.944,   2.047)  (  3.075,  -7.932,   2.047)  ( 0.06,  0.15,  0.04)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       (123.249, 325.409, -71.352)  (123.338, 325.486, -71.347)  ( 0.07,  0.02,  0.01)
174:     bond    (-21.296, 213.826, -37.139)  (-21.219, 213.888, -37.137)  ( 0.36,  0.03,  0.01)
174:     angle   (144.375, 118.592, -11.308)  (144.387, 118.608, -11.308)  ( 0.01,  0.01,  0.01)
174:     torsion (  0.299,  -3.704, -22.297)  (  0.299,  -3.704, -22.295)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.931,  -0.274,   0.221)  ( -0.931,  -0.274,   0.221)  ( 0.00,  0.00,  0.00)
174:     electro (  0.801,  -3.032,  -0.829)  (  0.801,  -3.032,  -0.829)  ( 0.00,  0.00,  0.00)
174:  8       (-173.670, 141.930,   1.489)  (-173.590, 142.018,   1.491)  ( 0.05,  0.06,  0.11)
174:     bond    ( 35.279, 170.381, -15.404)  ( 35.347, 170.453, -15.405)  ( 0.19,  0.04,  0.00)
174:     angle   (-208.439, -28.829,   7.088)  (-208.427, -28.814,   7.087)  ( 0.01,  0.05,  0.01)
174:     torsion (  0.235,   0.811,   9.763)  (  0.235,   0.811,   9.766)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -1.182,  -0.171,   0.176)  ( -1.182,  -0.171,   0.176)  ( 0.00,  0.00,  0.00)
174:     electro (  0.437,  -0.262,  -0.133)  (  0.437,  -0.262,  -0.133)  ( 0.00,  0.00,  0.00)
174:  9       (301.704, -104.522,  13.779)  (301.791, -104.438,  13.781)  ( 0.03,  0.08,  0.01)
174:     bond    (124.141, -150.653,   6.072)  (124.216, -150.583,   6.071)  ( 0.06,  0.05,  0.01)
174:     angle   (177.366,  42.267,  -6.026)  (177.378,  42.281,  -6.026)  ( 0.01,  0.03,  0.01)
174:     torsion (  0.582,   1.393,  14.392)  (  0.582,   1.393,  14.396)  ( 0.00,  0.00,  0.02)
174:     vdw     ( -0.014,   1.237,  -0.267)  ( -0.014,   1.237,  -0.267)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.371,   1.234,  -0.393)  ( -0.371,   1.234,  -0.393)  ( 0.00,  0.00,  0.00)
174: 10       ( -9.031, -36.657,  -1.954)  ( -8.947, -36.577,  -1.951)  ( 0.93,  0.22,  0.14)
174:     bond    (-21.325,  13.809,   7.460)  (-21.252,  13.878,   7.459)  ( 0.34,  0.50,  0.01)
174:     angle   ( 13.345, -47.372,  23.451)  ( 13.357, -47.361,  23.452)  ( 0.09,  0.02,  0.00)
174:     torsion ( -0.719,  -3.690, -33.032)  ( -0.719,  -3.690, -33.029)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.333,   0.596,   0.167)  ( -0.333,   0.596,   0.168)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (-336.506, -447.392,  64.729)  (-336.459, -447.339,  64.774)  ( 0.01,  0.01,  0.07)
174:     bond    (-120.022, -230.427,  22.445)  (-119.988, -230.387,  22.481)  ( 0.03,  0.02,  0.16)
174:     angle   (-216.364, -217.710,  35.994)  (-216.351, -217.696,  36.003)  ( 0.01,  0.01,  0.02)
174:     torsion (  0.153,   0.539,   5.921)  (  0.153,   0.539,   5.921)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.273,   0.205,   0.368)  ( -0.273,   0.205,   0.368)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       ( 46.356, -46.809,   0.794)  ( 46.380, -46.798,   0.794)  ( 0.05,  0.02,  0.02)
174:     bond    ( 11.340,   6.435,  -0.602)  ( 11.362,   6.442,  -0.602)  ( 0.19,  0.11,  0.00)
174:     angle   ( 29.821, -51.986,   6.570)  ( 29.823, -51.982,   6.570)  ( 0.01,  0.01,  0.01)
174:     torsion ( -0.085,  -0.362,  -5.488)  ( -0.085,  -0.362,  -5.487)  ( 0.00,  0.00,  0.02)
174:     vdw     (  2.804,  -0.728,   0.159)  (  2.804,  -0.728,   0.159)  ( 0.00,  0.00,  0.00)
174:     electro (  2.476,  -0.168,   0.155)  (  2.476,  -0.168,   0.155)  ( 0.00,  0.00,  0.00)
174: 13       (-43.636, -62.095,   8.066)  (-43.618, -62.079,   8.066)  ( 0.04,  0.03,  0.01)
174:     bond    (  6.870,  -6.372,   0.515)  (  6.886,  -6.359,   0.515)  ( 0.23,  0.21,  0.00)
174:     angle   (-50.625, -54.068,   9.337)  (-50.623, -54.064,   9.337)  ( 0.00,  0.01,  0.00)
174:     torsion ( -0.046,  -0.212,  -2.002)  ( -0.046,  -0.212,  -2.002)  ( 0.00,  0.00,  0.04)
174:     vdw     (  0.398,  -0.320,  -0.098)  (  0.398,  -0.320,  -0.098)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.233,  -1.124,   0.314)  ( -0.233,  -1.124,   0.314)  ( 0.00,  0.00,  0.00)
174: 14       (308.284, 404.996, 275.217)  (308.332, 405.047, 275.264)  ( 0.02,  0.01,  0.02)
174:     bond    (107.886, 194.366, 137.411)  (107.920, 194.406, 137.448)  ( 0.03,  0.02,  0.03)
174:     angle   (200.875, 213.264, 133.858)  (200.889, 213.276, 133.868)  ( 0.01,  0.01,  0.01)
174:     torsion ( -0.757,  -2.266,   3.729)  ( -0.757,  -2.265,   3.730)  ( 0.00,  0.00,  0.01)
174:     vdw     (  0.279,  -0.369,   0.219)  (  0.280,  -0.369,   0.219)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 15       (-44.147,  39.860,  11.226)  (-44.125,  39.868,  11.231)  ( 0.05,  0.02,  0.05)
174:     bond    (-10.739,  -4.993,  -5.106)  (-10.719,  -4.989,  -5.102)  ( 0.19,  0.09,  0.09)
174:     angle   (-28.282,  44.652,  15.753)  (-28.281,  44.655,  15.753)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.151,  -0.525,   0.829)  ( -0.151,  -0.525,   0.830)  ( 0.00,  0.01,  0.05)
174:     vdw     ( -2.532,   0.555,  -0.056)  ( -2.532,   0.555,  -0.056)  ( 0.00,  0.00,  0.00)
174:     electro ( -2.442,   0.172,  -0.193)  ( -2.442,   0.172,  -0.193)  ( 0.00,  0.00,  0.00)
174: 16       ( 38.574,  50.678,  41.047)  ( 38.592,  50.691,  41.050)  ( 0.05,  0.03,  0.01)
174:     bond    ( -7.428,   5.996,   2.147)  ( -7.412,   6.007,   2.149)  ( 0.22,  0.18,  0.06)
174:     angle   ( 46.271,  43.224,  38.774)  ( 46.273,  43.226,  38.776)  ( 0.00,  0.01,  0.00)
174:     torsion (  0.129,   0.355,  -0.548)  (  0.129,   0.355,  -0.548)  ( 0.00,  0.01,  0.03)
174:     vdw     ( -0.555,   0.208,  -0.096)  ( -0.555,   0.208,  -0.096)  ( 0.00,  0.00,  0.00)
174:     electro (  0.157,   0.896,   0.769)  (  0.157,   0.896,   0.769)  ( 0.00,  0.00,  0.00)
174: 17       ( 71.455, 185.399, 120.770)  ( 71.462, 185.421, 120.779)  ( 0.01,  0.01,  0.01)
174:     bond    (-22.457, 185.029, 106.355)  (-22.456, 185.051, 106.363)  ( 0.01,  0.01,  0.01)
174:     angle   ( 88.062,  -0.258,  19.043)  ( 88.067,  -0.258,  19.043)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.626,   1.802,  -3.004)  (  0.626,   1.802,  -3.003)  ( 0.00,  0.01,  0.02)
174:     vdw     ( -0.029,  -0.116,  -2.337)  ( -0.029,  -0.116,  -2.337)  ( 0.00,  0.00,  0.00)
174:     electro (  5.254,  -1.057,   0.713)  (  5.254,  -1.057,   0.713)  ( 0.00,  0.00,  0.00)
174: 18       (-95.247, -212.706,  45.184)  (-95.241, -212.677,  45.186)  ( 0.01,  0.01,  0.01)
174:     bond    (  9.361, -210.545,  37.181)  (  9.362, -210.516,  37.183)  ( 0.01,  0.01,  0.01)
174:     angle   (-100.474,  -5.213,  -4.217)  (-100.469,  -5.213,  -4.217)  ( 0.01,  0.00,  0.00)
174:     torsion ( -0.174,   2.516,  14.287)  ( -0.174,   2.516,  14.287)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.452,  -0.345,  -2.215)  (  1.452,  -0.345,  -2.215)  ( 0.02,  0.00,  0.00)
174:     electro ( -5.413,   0.881,   0.149)  ( -5.413,   0.881,   0.149)  ( 0.00,  0.00,  0.00)
174: 19       (-84.920, -114.935, -67.235)  (-84.906, -114.922, -67.225)  ( 0.02,  0.01,  0.01)
174:     bond    ( 31.603, -31.324, -25.273)  ( 31.614, -31.314, -25.266)  ( 0.03,  0.03,  0.03)
174:     angle   (-117.689, -84.412, -42.640)  (-117.686, -84.410, -42.637)  ( 0.00,  0.00,  0.01)
174:     torsion ( -0.008,   0.089,  -0.120)  ( -0.008,   0.089,  -0.120)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.174,   0.712,   0.799)  (  1.174,   0.712,   0.799)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (-48.107, -72.235, -69.589)  (-48.093, -72.229, -69.574)  ( 0.03,  0.01,  0.02)
174:     bond    (-37.263,  17.611, -41.184)  (-37.252,  17.614, -41.170)  ( 0.03,  0.02,  0.03)
174:     angle   (-10.876, -89.876, -28.612)  (-10.874, -89.872, -28.611)  ( 0.02,  0.00,  0.01)
174:     torsion ( -0.096,  -0.011,   0.083)  ( -0.096,  -0.011,   0.083)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.129,   0.040,   0.124)  (  0.129,   0.040,   0.124)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (-41.116, -95.064, -44.322)  (-41.105, -95.050, -44.310)  ( 0.03,  0.01,  0.03)
174:     bond    (-30.031, -36.047,  31.516)  (-30.023, -36.035,  31.525)  ( 0.03,  0.03,  0.03)
174:     angle   ( -8.296, -60.639, -77.213)  ( -8.293, -60.637, -77.210)  ( 0.03,  0.00,  0.00)
174:     torsion (  0.117,  -0.076,   0.025)  (  0.117,  -0.076,   0.025)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.906,   1.698,   1.350)  ( -2.905,   1.698,   1.350)  ( 0.00,  0.00,  0.00)
173:     angle   ( -4.627,  -1.768,   0.098)  ( -4.625,  -1.767,   0.100)  ( 0.05,  0.02,  0.02)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.975,   6.517,   1.574)  ( 13.975,   6.517,   1.574)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.528,  -0.400,  -0.116)  ( -0.528,  -0.400,  -0.116)  ( 0.00,  0.00,  0.00)
173: 21       (  8.288,   3.291,   8.967)  (  8.291,   3.298,   8.975)  ( 0.05,  0.23,  0.08)
173:     bond    (  3.137,   6.237,   6.237)  (  3.139,   6.244,   6.244)  ( 0.05,  0.10,  0.10)
173:     angle   ( -2.271,   0.849,   0.289)  ( -2.268,   0.850,   0.291)  ( 0.10,  0.10,  0.03)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.099,  -4.775,   2.825)  (  8.099,  -4.775,   2.825)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.678,   0.980,  -0.385)  ( -0.678,   0.980,  -0.385)  ( 0.00,  0.00,  0.00)
173: 22       ( -7.209,   8.539,   9.096)  ( -7.199,   8.542,   9.103)  ( 0.13,  0.03,  0.07)
173:     bond    ( -7.592,  -0.446,   5.750)  ( -7.583,  -0.446,   5.755)  ( 0.12,  0.00,  0.09)
173:     angle   (  0.316,  -3.141,   0.173)  (  0.317,  -3.139,   0.174)  ( 0.02,  0.08,  0.02)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.310,  13.218,   3.611)  (  0.310,  13.218,   3.611)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.243,  -1.091,  -0.438)  ( -0.243,  -1.091,  -0.438)  ( 0.00,  0.00,  0.00)
173: 23       (-17.717,  21.345,   8.253)  (-17.709,  21.354,   8.256)  ( 0.04,  0.04,  0.04)
173:     bond    (  6.018,   7.206,   3.106)  (  6.023,   7.213,   3.107)  ( 0.09,  0.10,  0.04)
173:     angle   (  4.963,  -4.166,   0.043)  (  4.965,  -4.165,   0.045)  ( 0.03,  0.03,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-30.269,  18.907,   5.408)  (-30.268,  18.907,   5.408)  ( 0.00,  0.00,  0.00)
173:     electro (  1.571,  -0.601,  -0.303)  (  1.571,  -0.601,  -0.303)  ( 0.00,  0.00,  0.00)
173: 24       ( -1.980,   1.683,  -7.974)  ( -1.977,   1.686,  -7.961)  ( 0.16,  0.17,  0.16)
173:     bond    ( -2.499,   1.642,  -7.703)  ( -2.498,   1.643,  -7.690)  ( 0.05,  0.03,  0.16)
173:     angle   (  0.405,  -0.575,  -0.255)  (  0.407,  -0.573,  -0.255)  ( 0.08,  0.13,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.024,   1.037,  -0.436)  ( -0.024,   1.037,  -0.436)  ( 0.00,  0.00,  0.00)
173:     electro (  0.138,  -0.421,   0.420)  (  0.138,  -0.421,   0.420)  ( 0.00,  0.00,  0.00)
173: ok 20 # gradients 
173: ok 21 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (-22.308, -43.542, -24.843)  (-22.281, -43.516, -24.816)  ( 0.12,  0.06,  0.11)
173:     bond    (-14.531, -30.893,  -8.732)  (-14.514, -30.876,  -8.714)  ( 0.12,  0.06,  0.21)
173:     angle   (  2.512,  -2.285, -10.607)  (  2.522,  -2.276, -10.598)  ( 0.37,  0.38,  0.08)
173:     torsion ( -2.655,  -2.742,  -4.981)  ( -2.654,  -2.742,  -4.981)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -7.525,  -7.528,  -0.566)  ( -7.525,  -7.528,  -0.566)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.109,  -0.093,   0.043)  ( -0.109,  -0.093,   0.043)  ( 0.00,  0.00,  0.00)
173:  2       (-63.836,  37.192,   9.403)  (-63.808,  37.218,   9.429)  ( 0.04,  0.07,  0.28)
173:     bond    (-19.887,  31.641,  -3.832)  (-19.869,  31.659,  -3.814)  ( 0.09,  0.06,  0.46)
173:     angle   (-21.218,   1.942,  26.416)  (-21.210,   1.950,  26.425)  ( 0.04,  0.44,  0.03)
173:     torsion ( -4.470,   2.457,   2.254)  ( -4.470,   2.457,   2.255)  ( 0.00,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-17.943,   1.510, -15.520)  (-17.943,   1.511, -15.520)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.317,  -0.358,   0.084)  ( -0.317,  -0.358,   0.084)  ( 0.00,  0.00,  0.00)
173:  3       ( 24.879,  35.511, -41.054)  ( 24.906,  35.538, -41.027)  ( 0.11,  0.08,  0.07)
173:     bond    ( 43.021,  -1.284,  21.164)  ( 43.039,  -1.266,  21.182)  ( 0.04,  1.41,  0.09)
173:     angle   ( -8.872,  26.134, -47.437)  ( -8.864,  26.143, -47.429)  ( 0.10,  0.03,  0.02)
173:     torsion ( -0.191,   2.872,  -3.368)  ( -0.191,   2.872,  -3.368)  ( 0.00,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -9.262,   7.953, -11.544)  ( -9.262,   7.953, -11.543)  ( 0.00,  0.01,  0.00)
173:     electro (  0.184,  -0.164,   0.131)  (  0.184,  -0.164,   0.131)  ( 0.00,  0.00,  0.00)
173:  4       (  2.828, -39.628,  46.776)  (  2.857, -39.600,  46.801)  ( 1.00,  0.07,  0.06)
173:     bond    ( 33.477,  -2.989,  17.076)  ( 33.496,  -2.970,  17.094)  ( 0.06,  0.61,  0.11)
173:     angle   (-26.689, -10.403,  39.611)  (-26.679, -10.394,  39.618)  ( 0.03,  0.09,  0.02)
173:     torsion ( -0.440,  -5.890, -14.995)  ( -0.440,  -5.890, -14.994)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.482, -20.368,   5.117)  ( -3.482, -20.368,   5.117)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.038,   0.022,  -0.034)  ( -0.038,   0.022,  -0.034)  ( 0.00,  0.00,  0.00)
173:  5       ( 73.049,   5.536, -12.631)  ( 73.088,   5.567, -12.622)  ( 0.05,  0.57,  0.07)
173:     bond    ( 36.993,  27.428,  -1.146)  ( 37.023,  27.450,  -1.144)  ( 0.08,  0.08,  0.13)
173:     angle   ( 33.662,  -7.390, -34.834)  ( 33.670,  -7.382, -34.831)  ( 0.02,  0.12,  0.01)
173:     torsion (  1.264,   4.163,  20.949)  (  1.264,   4.163,  20.953)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.115, -19.347,   2.757)  (  1.116, -19.347,   2.757)  ( 0.05,  0.00,  0.00)
173:     electro (  0.015,   0.682,  -0.357)  (  0.015,   0.682,  -0.357)  ( 0.00,  0.00,  0.00)
173:  6       (-77.127,  -1.074,   3.759)  (-77.090,  -1.042,   3.766)  ( 0.05,  2.99,  0.21)
173:     bond    (-78.710,  18.207,  -6.480)  (-78.680,  18.229,  -6.479)  ( 0.04,  0.12,  0.02)
173:     angle   ( -4.204,   3.671,   5.342)  ( -4.197,   3.680,   5.343)  ( 0.17,  0.25,  0.03)
173:     torsion ( -0.397,  -2.218,  -2.463)  ( -0.397,  -2.218,  -2.458)  ( 0.00,  0.01,  0.20)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.356, -21.178,   7.702)  (  6.356, -21.178,   7.702)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.173,   0.445,  -0.341)  ( -0.173,   0.445,  -0.341)  ( 0.00,  0.00,  0.00)
173:  7       ( 49.490, -26.176,  -7.776)  ( 49.518, -26.148,  -7.751)  ( 0.06,  0.11,  0.33)
173:     bond    ( 18.673,  16.713,   0.892)  ( 18.691,  16.732,   0.910)  ( 0.10,  0.11,  1.63)
173:     angle   ( 26.683, -27.526,  -4.329)  ( 26.692, -27.516,  -4.322)  ( 0.03,  0.03,  0.15)
173:     torsion (  0.886,  -2.319, -10.236)  (  0.886,  -2.319, -10.235)  ( 0.01,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.288, -13.122,   6.005)  (  3.289, -13.121,   6.005)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.039,   0.078,  -0.109)  ( -0.039,   0.078,  -0.109)  ( 0.00,  0.00,  0.00)
173:  8       (-35.192,  12.822,  53.744)  (-35.165,  12.849,  53.771)  ( 0.08,  0.22,  0.05)
173:     bond    (-20.989,   9.111, -28.842)  (-20.972,   9.128, -28.824)  ( 0.08,  0.19,  0.06)
173:     angle   (-25.736,  17.614,  80.518)  (-25.726,  17.623,  80.527)  ( 0.04,  0.05,  0.01)
173:     torsion ( -2.011,  -0.575,   3.948)  ( -2.011,  -0.575,   3.948)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.550, -13.548,  -1.907)  ( 13.551, -13.547,  -1.907)  ( 0.00,  0.00,  0.01)
173:     electro ( -0.006,   0.221,   0.027)  ( -0.006,   0.221,   0.027)  ( 0.00,  0.00,  0.00)
173:  9       (  9.873,  27.136, -47.477)  (  9.901,  27.163, -47.450)  ( 0.29,  0.10,  0.06)
173:     bond    (-30.658,  30.523, -29.944)  (-30.639,  30.540, -29.927)  ( 0.06,  0.06,  0.06)
173:     angle   ( 25.853,   9.550, -23.593)  ( 25.863,   9.560, -23.584)  ( 0.04,  0.10,  0.04)
173:     torsion ( -0.469,  -3.044,  -4.166)  ( -0.469,  -3.044,  -4.166)  ( 0.01,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 15.131, -10.099,  10.271)  ( 15.132, -10.099,  10.271)  ( 0.00,  0.00,  0.00)
173:     electro (  0.016,   0.206,  -0.044)  (  0.016,   0.206,  -0.044)  ( 0.00,  0.00,  0.00)
173: 10       ( 28.019, -40.005,  31.486)  ( 28.044, -39.978,  31.512)  ( 0.09,  0.07,  0.09)
173:     bond    ( 34.324,  10.400,  10.514)  ( 34.340,  10.419,  10.532)  ( 0.05,  0.18,  0.18)
173:     angle   (-23.006, -37.357,  30.359)  (-22.997, -37.349,  30.367)  ( 0.04,  0.02,  0.03)
173:     torsion (  0.490,  -3.580,  -3.486)  (  0.490,  -3.580,  -3.486)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 16.479,  -9.577,  -5.866)  ( 16.479,  -9.577,  -5.866)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.268,   0.108,  -0.035)  ( -0.268,   0.108,  -0.035)  ( 0.00,  0.00,  0.00)
173: 11       ( 42.944,  -3.551,   3.573)  ( 42.971,  -3.526,   3.600)  ( 0.06,  0.72,  0.75)
173:     bond    (-22.879,  -5.120, -14.558)  (-22.860,  -5.103, -14.539)  ( 0.08,  0.33,  0.13)
173:     angle   ( 61.432,  15.137,  19.736)  ( 61.441,  15.145,  19.744)  ( 0.01,  0.06,  0.04)
173:     torsion ( -0.381,   1.027,   1.544)  ( -0.381,   1.027,   1.544)  ( 0.00,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.982, -14.918,  -3.077)  (  4.982, -14.917,  -3.077)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.210,   0.322,  -0.072)  ( -0.210,   0.322,  -0.072)  ( 0.00,  0.00,  0.00)
173: 12       (-30.929,  -4.215, -23.764)  (-30.903,  -4.185, -23.738)  ( 0.09,  0.70,  0.11)
173:     bond    (-66.490,  82.822,  23.511)  (-66.473,  82.841,  23.529)  ( 0.03,  0.02,  0.08)
173:     angle   ( 28.483, -89.468, -54.042)  ( 28.492, -89.458, -54.035)  ( 0.03,  0.01,  0.01)
173:     torsion (  1.674,   3.980,   1.439)  (  1.674,   3.980,   1.439)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.582,  -1.625,   5.322)  (  5.582,  -1.625,   5.322)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.178,   0.077,   0.006)  ( -0.178,   0.077,   0.006)  ( 0.00,  0.00,  0.00)
173: 13       (-14.876,  12.813,  29.139)  (-14.849,  12.841,  29.164)  ( 0.19,  0.21,  0.09)
173:     bond    ( 64.127, -112.790,  27.092)  ( 64.145, -112.772,  27.110)  ( 0.03,  0.02,  0.07)
173:     angle   (-82.099, 120.864,   8.835)  (-82.090, 120.873,   8.842)  ( 0.01,  0.01,  0.08)
173:     torsion ( -0.625,   3.574,  -2.102)  ( -0.625,   3.574,  -2.101)  ( 0.01,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.773,   1.285,  -4.822)  (  3.773,   1.285,  -4.822)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.051,  -0.120,   0.136)  ( -0.051,  -0.120,   0.136)  ( 0.00,  0.00,  0.00)
173: 14       (  2.250, -33.695,   6.772)  (  2.278, -33.668,   6.798)  ( 1.21,  0.08,  0.39)
173:     bond    (-77.710,  60.285, -35.054)  (-77.692,  60.303, -35.036)  ( 0.02,  0.03,  0.05)
173:     angle   ( 75.670, -103.322,  38.094)  ( 75.679, -103.314,  38.101)  ( 0.01,  0.01,  0.02)
173:     torsion (  1.249,  -0.162,   1.416)  (  1.249,  -0.161,   1.417)  ( 0.01,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.027,   9.584,   2.523)  (  3.027,   9.584,   2.523)  ( 0.00,  0.00,  0.01)
173:     electro (  0.015,  -0.080,  -0.207)  (  0.015,  -0.080,  -0.207)  ( 0.00,  0.00,  0.00)
173: 15       (-39.902,  19.803,  -0.379)  (-39.875,  19.830,  -0.353)  ( 0.07,  0.14,  0.99)
173:     bond    (  3.025, -78.820,  25.958)  (  3.043, -78.802,  25.977)  ( 0.59,  0.02,  0.07)
173:     angle   (-49.068, 110.969, -36.714)  (-49.060, 110.978, -36.707)  ( 0.02,  0.01,  0.02)
173:     torsion ( -1.503,   1.058,  -0.774)  ( -1.503,   1.059,  -0.774)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.677, -13.640,  11.362)  (  7.677, -13.639,  11.362)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.032,   0.235,  -0.211)  ( -0.032,   0.235,  -0.211)  ( 0.00,  0.00,  0.00)
173: 16       ( 31.729, -35.552,  15.159)  ( 31.757, -35.525,  15.186)  ( 0.09,  0.07,  0.17)
173:     bond    ( -1.351,  47.387, -25.784)  ( -1.333,  47.405, -25.766)  ( 1.36,  0.04,  0.07)
173:     angle   ( 33.555, -81.751,  34.045)  ( 33.564, -81.742,  34.052)  ( 0.03,  0.01,  0.02)
173:     torsion (  1.197,  -0.589,   7.374)  (  1.197,  -0.589,   7.374)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.709,  -0.821,  -0.520)  ( -1.709,  -0.821,  -0.520)  ( 0.01,  0.01,  0.00)
173:     electro (  0.038,   0.221,   0.046)  (  0.038,   0.221,   0.046)  ( 0.00,  0.00,  0.00)
173: 17       (  6.118, -32.326, -49.852)  (  6.145, -32.298, -49.826)  ( 0.43,  0.09,  0.05)
173:     bond    (-11.675, -75.819,   2.896)  (-11.658, -75.800,   2.913)  ( 0.14,  0.02,  0.61)
173:     angle   ( 12.832,  40.812, -50.366)  ( 12.841,  40.821, -50.358)  ( 0.07,  0.02,  0.02)
173:     torsion (  1.947,   1.741,  -2.677)  (  1.947,   1.741,  -2.677)  ( 0.01,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.215,   1.061,   0.274)  (  3.216,   1.061,   0.274)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.201,  -0.121,   0.021)  ( -0.201,  -0.121,   0.021)  ( 0.00,  0.00,  0.00)
173: 18       (-33.161,  52.536,  15.536)  (-33.134,  52.563,  15.562)  ( 0.08,  0.05,  0.17)
173:     bond    (  0.939,  25.907,   0.494)  (  0.957,  25.925,   0.513)  ( 1.75,  0.07,  0.92)
173:     angle   (-36.770,  12.993,  13.369)  (-36.762,  13.000,  13.376)  ( 0.02,  0.06,  0.06)
173:     torsion (  2.724,   0.710,   3.961)  (  2.724,   0.711,   3.961)  ( 0.00,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.234,  13.366,  -2.363)  ( -0.233,  13.367,  -2.363)  ( 0.01,  0.00,  0.00)
173:     electro (  0.180,  -0.440,   0.075)  (  0.180,  -0.440,   0.075)  ( 0.00,  0.00,  0.00)
173: 19       ( 37.987,   7.123,  15.649)  ( 38.014,   7.150,  15.676)  ( 0.07,  0.38,  0.17)
173:     bond    ( -0.323,   9.038,   1.714)  ( -0.305,   9.056,   1.733)  ( 0.60,  0.21,  1.08)
173:     angle   ( 26.612,  -1.957,  20.358)  ( 26.620,  -1.949,  20.366)  ( 0.03,  0.41,  0.04)
173:     torsion (  1.649,  -0.902,  -3.804)  (  1.649,  -0.902,  -3.804)  ( 0.00,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 10.597,   0.994,  -2.622)  ( 10.597,   0.994,  -2.622)  ( 0.00,  0.02,  0.00)
173:     electro ( -0.547,  -0.050,   0.004)  ( -0.547,  -0.050,   0.004)  ( 0.00,  0.00,  0.00)
173: 20       (-10.381,  15.215, -40.486)  (-10.354,  15.243, -40.459)  ( 0.26,  0.18,  0.07)
173:     bond    ( 10.285,  -8.664,   4.027)  ( 10.303,  -8.645,   4.045)  ( 0.18,  0.21,  0.45)
173:     angle   (  0.393,  19.206, -30.998)  (  0.400,  19.214, -30.989)  ( 0.30,  0.04,  0.03)
173:     torsion ( -3.530,  -0.913,   0.087)  ( -3.530,  -0.913,   0.087)  ( 0.00,  0.02,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-17.801,   5.682, -13.790)  (-17.800,   5.683, -13.790)  ( 0.00,  0.01,  0.00)
173:     electro (  0.272,  -0.096,   0.188)  (  0.272,  -0.096,   0.188)  ( 0.00,  0.00,  0.00)
173: 21       ( 50.906, -23.098, -16.714)  ( 50.934, -23.072, -16.686)  ( 0.06,  0.11,  0.17)
173:     bond    (114.995,  -1.709, -14.139)  (115.014,  -1.693, -14.122)  ( 0.02,  0.96,  0.12)
173:     angle   (-67.309, -23.081,  -4.995)  (-67.299, -23.072,  -4.984)  ( 0.01,  0.04,  0.20)
173:     torsion ( -2.620,  -2.152,   2.914)  ( -2.620,  -2.152,   2.915)  ( 0.01,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.715,   3.885,  -0.499)  (  5.715,   3.886,  -0.499)  ( 0.00,  0.00,  0.00)
173:     electro (  0.125,  -0.041,   0.005)  (  0.125,  -0.041,   0.005)  ( 0.00,  0.00,  0.00)
173: 22       (-16.148,  23.784,  55.343)  (-16.122,  23.811,  55.371)  ( 0.17,  0.11,  0.05)
173:     bond    (  5.914, -13.650, -25.328)  (  5.932, -13.632, -25.309)  ( 0.31,  0.13,  0.07)
173:     angle   (-16.459,  16.679,  60.398)  (-16.451,  16.687,  60.406)  ( 0.05,  0.05,  0.01)
173:     torsion (  0.827,  -1.949,   1.055)  (  0.827,  -1.949,   1.055)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.533,  22.878,  19.525)  ( -6.533,  22.879,  19.525)  ( 0.01,  0.00,  0.00)
173:     electro (  0.103,  -0.174,  -0.307)  (  0.103,  -0.174,  -0.307)  ( 0.00,  0.00,  0.00)
173: 23       (  1.239,  24.267, -60.315)  (  1.266,  24.294, -60.288)  ( 2.16,  0.11,  0.04)
173:     bond    (-32.251, -19.993,   7.102)  (-32.234, -19.975,   7.120)  ( 0.06,  0.09,  0.26)
173:     angle   ( 42.431,  23.788, -56.689)  ( 42.440,  23.797, -56.680)  ( 0.02,  0.04,  0.01)
173:     torsion ( -0.297,   6.929,  -1.857)  ( -0.297,   6.929,  -1.856)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -8.931,  13.671,  -9.129)  ( -8.931,  13.672,  -9.129)  ( 0.00,  0.00,  0.00)
173:     electro (  0.288,  -0.129,   0.257)  (  0.288,  -0.129,   0.257)  ( 0.00,  0.00,  0.00)
173: 24       (-42.391,  41.088,   4.587)  (-42.363,  41.115,   4.614)  ( 0.07,  0.07,  0.57)
173:     bond    ( 38.562, -24.577, -11.848)  ( 38.580, -24.559, -11.830)  ( 0.05,  0.08,  0.15)
173:     angle   (-65.211,  51.416,  37.818)  (-65.202,  51.425,  37.826)  ( 0.01,  0.02,  0.02)
173:     torsion ( -4.487,   2.988,   1.987)  ( -4.486,   2.988,   1.988)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.129,  11.373, -23.582)  (-11.129,  11.373, -23.581)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.126,  -0.112,   0.211)  ( -0.126,  -0.112,   0.211)  ( 0.00,  0.00,  0.00)
173: 25       (-28.101, -61.144, -25.772)  (-28.073, -61.115, -25.745)  ( 0.10,  0.05,  0.10)
173:     bond    (-98.484, -40.750,  51.097)  (-98.467, -40.731,  51.115)  ( 0.02,  0.05,  0.04)
173:     angle   ( 73.204, -34.175, -58.194)  ( 73.213, -34.166, -58.186)  ( 0.01,  0.03,  0.01)
173:     torsion (  2.203,  -2.710, -10.758)  (  2.203,  -2.710, -10.758)  ( 0.01,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.869,  16.592,  -7.909)  ( -4.869,  16.592,  -7.909)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.154,  -0.101,  -0.008)  ( -0.154,  -0.101,  -0.008)  ( 0.00,  0.00,  0.00)
173: 26       ( 35.161, -13.615,  -7.818)  ( 35.190, -13.587,  -7.791)  ( 0.08,  0.21,  0.34)
173:     bond    (103.369,   5.170, -50.791)  (103.386,   5.189, -50.773)  ( 0.02,  0.35,  0.04)
173:     angle   (-63.196, -26.589,  42.786)  (-63.185, -26.580,  42.794)  ( 0.02,  0.03,  0.02)
173:     torsion ( -1.603,  -0.711,   1.139)  ( -1.603,  -0.710,   1.140)  ( 0.01,  0.03,  0.08)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.485,   8.521,  -0.920)  ( -3.485,   8.521,  -0.920)  ( 0.01,  0.00,  0.00)
173:     electro (  0.076,  -0.007,  -0.032)  (  0.076,  -0.007,  -0.032)  ( 0.00,  0.00,  0.00)
173: 27       (-14.837,  26.774,  43.062)  (-14.810,  26.801,  43.089)  ( 0.18,  0.10,  0.06)
173:     bond    (  4.117, -17.524, -19.432)  (  4.135, -17.505, -19.413)  ( 0.44,  0.11,  0.10)
173:     angle   (-13.628,  41.763,  43.917)  (-13.620,  41.771,  43.925)  ( 0.06,  0.02,  0.02)
173:     torsion ( -0.358,  -1.930,   0.806)  ( -0.357,  -1.930,   0.806)  ( 0.01,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.096,   4.534,  18.317)  ( -5.096,   4.534,  18.318)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       ( 48.033, 132.616, -33.392)  ( 48.055, 132.620, -33.383)  ( 0.05,  0.00,  0.03)
174:     bond    ( 52.153,   0.195, -26.552)  ( 52.176,   0.195, -26.546)  ( 0.04,  0.01,  0.02)
174:     angle   ( -4.570, 133.610,  -8.002)  ( -4.569, 133.613,  -7.999)  ( 0.02,  0.00,  0.03)
174:     torsion ( -0.007,   0.002,  -0.014)  ( -0.007,   0.002,  -0.014)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.456,  -1.191,   1.177)  (  0.456,  -1.191,   1.177)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       ( 67.190,  61.826,  20.295)  ( 67.195,  61.834,  20.318)  ( 0.01,  0.01,  0.11)
174:     bond    ( 10.644,  23.335,  49.973)  ( 10.645,  23.340,  49.996)  ( 0.01,  0.02,  0.04)
174:     angle   ( 56.121,  38.461, -29.908)  ( 56.125,  38.464, -29.907)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.016,   0.008,  -0.000)  ( -0.016,   0.008,  -0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.441,   0.023,   0.229)  (  0.442,   0.023,   0.229)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       ( 96.003,  97.427, -55.295)  ( 96.013,  97.441, -55.284)  ( 0.01,  0.02,  0.02)
174:     bond    (-24.478,  34.857, -28.158)  (-24.471,  34.870, -28.149)  ( 0.03,  0.04,  0.03)
174:     angle   (121.516,  63.126, -27.444)  (121.519,  63.128, -27.442)  ( 0.00,  0.00,  0.01)
174:     torsion ( -0.027,   0.017,   0.045)  ( -0.027,   0.017,   0.045)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.008,  -0.574,   0.262)  ( -1.008,  -0.574,   0.262)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 16 # gradients 
174: ok 17 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (763.591, 211.175, -129.938)  (763.686, 211.256, -129.900)  ( 0.01,  0.04,  0.03)
174:     bond    (760.485, 208.396, -131.774)  (760.571, 208.466, -131.744)  ( 0.01,  0.03,  0.02)
174:     angle   ( -0.453,   0.202,  -0.114)  ( -0.445,   0.212,  -0.107)  ( 0.38,  0.20,  0.07)
174:     torsion ( -0.043,   0.042,   0.071)  ( -0.042,   0.043,   0.072)  ( 0.00,  0.00,  0.01)
174:     vdw     (  3.603,   2.535,   1.878)  (  3.603,   2.535,   1.878)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       ( -0.090, 681.819, -423.091)  ( -0.000, 681.921, -423.070)  ( 0.82,  0.01,  0.01)
174:     bond    ( -0.078, 677.006, -423.243)  (  0.000, 677.098, -423.228)  ( 0.61,  0.01,  0.00)
174:     angle   ( -0.011,   0.072,  -0.295)  ( -0.000,   0.082,  -0.291)  ( 0.01,  0.07,  0.12)
174:     torsion ( -0.001,  -0.016,  -0.052)  ( -0.000,  -0.015,  -0.050)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.000,   4.757,   0.499)  (  0.000,   4.757,   0.499)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       ( -0.090, -682.022, -423.091)  ( -0.000, -681.921, -423.070)  ( 0.82,  0.01,  0.01)
174:     bond    ( -0.078, -677.189, -423.243)  (  0.000, -677.098, -423.228)  ( 0.61,  0.01,  0.00)
174:     angle   ( -0.011,  -0.091,  -0.295)  ( -0.000,  -0.082,  -0.291)  ( 0.01,  0.09,  0.12)
174:     torsion ( -0.001,   0.015,  -0.052)  (  0.000,   0.015,  -0.050)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.000,  -4.757,   0.499)  ( -0.000,  -4.757,   0.499)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (763.591, -211.337, -129.938)  (763.686, -211.256, -129.900)  ( 0.01,  0.04,  0.03)
174:     bond    (760.485, -208.536, -131.774)  (760.571, -208.466, -131.744)  ( 0.01,  0.03,  0.02)
174:     angle   ( -0.453,  -0.222,  -0.114)  ( -0.445,  -0.212,  -0.107)  ( 0.38,  0.22,  0.07)
174:     torsion ( -0.043,  -0.044,   0.071)  ( -0.042,  -0.043,   0.072)  ( 0.00,  0.00,  0.01)
174:     vdw     (  3.603,  -2.535,   1.878)  (  3.603,  -2.535,   1.878)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-341.903, 475.989, -552.554)  (-341.837, 476.081, -552.499)  ( 0.02,  0.02,  0.01)
174:     bond    (-337.801, 473.237, -551.537)  (-337.743, 473.318, -551.490)  ( 0.02,  0.02,  0.01)
174:     angle   ( -0.043,   0.489,   0.094)  ( -0.035,   0.499,   0.101)  ( 0.03,  0.50,  0.06)
174:     torsion (  0.040,   0.033,  -0.048)  (  0.041,   0.034,  -0.046)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -4.099,   2.230,  -1.064)  ( -4.099,   2.230,  -1.064)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (-341.903, -476.173, -552.554)  (-341.837, -476.081, -552.499)  ( 0.02,  0.02,  0.01)
174:     bond    (-337.801, -473.399, -551.537)  (-337.743, -473.318, -551.490)  ( 0.02,  0.02,  0.01)
174:     angle   ( -0.043,  -0.509,   0.094)  ( -0.035,  -0.499,   0.101)  ( 0.03,  0.52,  0.06)
174:     torsion (  0.040,  -0.034,  -0.048)  (  0.041,  -0.034,  -0.046)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -4.099,  -2.230,  -1.064)  ( -4.099,  -2.230,  -1.064)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       (-763.780, 211.175, -129.938)  (-763.686, 211.256, -129.900)  ( 0.01,  0.04,  0.03)
174:     bond    (-760.656, 208.396, -131.774)  (-760.571, 208.466, -131.744)  ( 0.01,  0.03,  0.02)
174:     angle   (  0.436,   0.202,  -0.114)  (  0.445,   0.212,  -0.107)  ( 0.37,  0.20,  0.07)
174:     torsion (  0.042,   0.042,   0.071)  (  0.042,   0.043,   0.072)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -3.603,   2.535,   1.878)  ( -3.603,   2.535,   1.878)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (-763.780, -211.337, -129.938)  (-763.686, -211.256, -129.900)  ( 0.01,  0.04,  0.03)
174:     bond    (-760.656, -208.536, -131.774)  (-760.571, -208.466, -131.744)  ( 0.01,  0.03,  0.02)
174:     angle   (  0.436,  -0.222,  -0.114)  (  0.445,  -0.212,  -0.107)  ( 0.37,  0.22,  0.07)
174:     torsion (  0.042,  -0.044,   0.071)  (  0.042,  -0.043,   0.072)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -3.603,  -2.535,   1.878)  ( -3.603,  -2.535,   1.878)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       (475.989, 552.444, 341.770)  (476.081, 552.499, 341.837)  ( 0.02,  0.01,  0.02)
174:     bond    (473.237, 551.443, 337.686)  (473.318, 551.490, 337.743)  ( 0.02,  0.01,  0.02)
174:     angle   (  0.489,  -0.107,   0.027)  (  0.499,  -0.101,   0.035)  ( 0.50,  0.07,  0.02)
174:     torsion (  0.033,   0.045,  -0.041)  (  0.034,   0.046,  -0.041)  ( 0.00,  0.01,  0.00)
174:     vdw     (  2.230,   1.064,   4.099)  (  2.230,   1.064,   4.099)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 10       (129.863, 763.591, 211.175)  (129.900, 763.686, 211.256)  ( 0.03,  0.01,  0.04)
174:     bond    (131.714, 760.485, 208.396)  (131.744, 760.571, 208.466)  ( 0.02,  0.01,  0.03)
174:     angle   (  0.101,  -0.453,   0.202)  (  0.107,  -0.445,   0.212)  ( 0.06,  0.38,  0.20)
174:     torsion ( -0.074,  -0.043,   0.042)  ( -0.072,  -0.042,   0.043)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -1.879,   3.603,   2.535)  ( -1.878,   3.603,   2.535)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (129.863, -763.780, 211.175)  (129.900, -763.686, 211.256)  ( 0.03,  0.01,  0.04)
174:     bond    (131.714, -760.656, 208.396)  (131.744, -760.571, 208.466)  ( 0.02,  0.01,  0.03)
174:     angle   (  0.101,   0.436,   0.202)  (  0.107,   0.445,   0.212)  ( 0.06,  0.37,  0.20)
174:     torsion ( -0.074,   0.042,   0.042)  ( -0.072,   0.042,   0.043)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -1.879,  -3.603,   2.535)  ( -1.878,  -3.603,   2.535)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (475.989, -552.554, 341.770)  (476.081, -552.499, 341.837)  ( 0.02,  0.01,  0.02)
173:     electro (  0.128,  -0.069,  -0.547)  (  0.128,  -0.069,  -0.547)  ( 0.00,  0.00,  0.00)
173: 28       (  8.497,  -0.257,  -5.188)  (  8.512,  -0.251,  -5.172)  ( 0.18,  0.15,  0.31)
173:     bond    ( 14.780,   7.587,   0.109)  ( 14.794,   7.591,   0.120)  ( 0.09,  0.05,  0.12)
173:     angle   ( -1.698,   5.503,  -0.586)  ( -1.696,   5.505,  -0.581)  ( 0.07,  0.03,  0.28)
173:     torsion (  3.366,  -7.648,  -0.412)  (  3.366,  -7.648,  -0.412)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -9.291,  -7.560,  -4.551)  ( -9.291,  -7.560,  -4.551)  ( 0.00,  0.00,  0.00)
173:     electro (  1.340,   1.861,   0.252)  (  1.340,   1.861,   0.252)  ( 0.00,  0.00,  0.00)
173: 29       (  1.135,   9.164,  22.858)  (  1.139,   9.169,  22.870)  ( 0.29,  0.05,  0.05)
173:     bond    ( -5.112,  12.768,  26.865)  ( -5.112,  12.770,  26.876)  ( 0.01,  0.02,  0.04)
173:     angle   ( -1.676,  -6.965,   2.989)  ( -1.674,  -6.963,   2.990)  ( 0.14,  0.03,  0.02)
173:     torsion (  5.386,   0.895,   0.599)  (  5.386,   0.895,   0.599)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.489,   2.748,  -7.812)  (  2.489,   2.748,  -7.812)  ( 0.01,  0.01,  0.00)
173:     electro (  0.049,  -0.281,   0.216)  (  0.049,  -0.281,   0.216)  ( 0.00,  0.00,  0.00)
173: 30       (  6.513,  -5.402, -14.742)  (  6.517,  -5.398, -14.729)  ( 0.06,  0.07,  0.09)
173:     bond    (  2.161,  -3.150, -10.451)  (  2.161,  -3.149, -10.438)  ( 0.03,  0.04,  0.12)
173:     angle   ( -5.037,   5.760,  -2.781)  ( -5.035,   5.763,  -2.781)  ( 0.05,  0.04,  0.01)
173:     torsion ( -3.391,   1.961,  -1.294)  ( -3.391,   1.961,  -1.294)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 12.958, -10.001,  -0.088)  ( 12.958, -10.000,  -0.088)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.177,   0.028,  -0.128)  ( -0.177,   0.028,  -0.128)  ( 0.00,  0.00,  0.00)
173: 31       ( -1.275,   8.846,  19.336)  ( -1.272,   8.850,  19.349)  ( 0.27,  0.05,  0.07)
173:     bond    ( -5.210,   9.256,  28.211)  ( -5.210,   9.257,  28.223)  ( 0.01,  0.02,  0.04)
173:     angle   ( -2.481,   7.776,  -3.009)  ( -2.479,   7.778,  -3.009)  ( 0.10,  0.03,  0.01)
173:     torsion (  3.362,   4.451,  -0.839)  (  3.362,   4.451,  -0.839)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.174, -12.636,  -4.980)  (  3.174, -12.636,  -4.979)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.120,  -0.000,  -0.047)  ( -0.120,  -0.000,  -0.047)  ( 0.00,  0.00,  0.00)
173: 32       ( 14.674,  13.014,   6.241)  ( 14.677,  13.019,   6.252)  ( 0.02,  0.04,  0.19)
173:     bond    ( -2.053,   4.526,   9.293)  ( -2.053,   4.528,   9.304)  ( 0.03,  0.06,  0.12)
173:     angle   (  8.651,   6.694,  -1.351)  (  8.653,   6.696,  -1.350)  ( 0.03,  0.03,  0.04)
173:     torsion (  6.608,   2.848,   0.072)  (  6.609,   2.848,   0.072)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.573,  -1.248,  -1.048)  ( -0.573,  -1.248,  -1.048)  ( 0.00,  0.00,  0.00)
173:     electro (  2.041,   0.195,  -0.725)  (  2.041,   0.195,  -0.725)  ( 0.00,  0.00,  0.00)
173: 33       ( 18.911,  -3.943,   2.356)  ( 18.918,  -3.940,   2.365)  ( 0.04,  0.07,  0.38)
173:     bond    ( 10.734,  -2.576,  12.310)  ( 10.740,  -2.575,  12.317)  ( 0.06,  0.02,  0.06)
173:     angle   ( 11.242,  -4.178, -10.677)  ( 11.243,  -4.176, -10.676)  ( 0.01,  0.06,  0.01)
173:     torsion ( -1.546,   0.545,   1.461)  ( -1.546,   0.545,   1.461)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.573,   2.028,  -1.039)  ( -1.573,   2.028,  -1.039)  ( 0.00,  0.00,  0.00)
173:     electro (  0.054,   0.239,   0.301)  (  0.054,   0.239,   0.301)  ( 0.00,  0.00,  0.00)
173: 34       ( 17.221,  -5.670,  -5.070)  ( 17.226,  -5.666,  -5.060)  ( 0.03,  0.08,  0.20)
173:     bond    (  6.265,  -5.629, -11.470)  (  6.267,  -5.627, -11.461)  ( 0.04,  0.04,  0.08)
173:     angle   ( 19.085,  -3.007,  11.912)  ( 19.087,  -3.005,  11.913)  ( 0.01,  0.07,  0.01)
173:     torsion (  3.429,  -0.923,   2.328)  (  3.429,  -0.923,   2.328)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.595,   4.208,  -8.007)  (-11.595,   4.208,  -8.007)  ( 0.00,  0.00,  0.00)
173:     electro (  0.037,  -0.319,   0.167)  (  0.037,  -0.319,   0.167)  ( 0.00,  0.00,  0.00)
173: 35       ( -0.153,   2.884,  15.147)  ( -0.149,   2.888,  15.159)  ( 0.06,  0.12,  0.08)
173:     bond    ( -5.651,   5.533,  15.742)  ( -5.650,   5.534,  15.753)  ( 0.03,  0.03,  0.07)
173:     angle   (  8.976,  -0.225,   3.298)  (  8.979,  -0.223,   3.298)  ( 0.03,  0.04,  0.01)
173:     torsion (  0.041,  -3.843,   1.365)  (  0.041,  -3.843,   1.365)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.628,   1.379,  -5.426)  ( -3.628,   1.379,  -5.426)  ( 0.01,  0.00,  0.00)
173:     electro (  0.109,   0.040,   0.169)  (  0.109,   0.040,   0.169)  ( 0.00,  0.00,  0.00)
173: 36       (  5.573, -10.443,   1.601)  (  5.576, -10.429,   1.603)  ( 0.06,  0.13,  0.16)
173:     bond    (  2.447, -12.323,   1.178)  (  2.448, -12.309,   1.178)  ( 0.02,  0.11,  0.02)
173:     angle   (  9.835,   2.579,   6.502)  (  9.837,   2.579,   6.504)  ( 0.02,  0.01,  0.03)
173:     torsion (  1.139,   0.057,  -1.770)  (  1.139,   0.057,  -1.770)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -7.878,  -0.677,  -4.353)  ( -7.878,  -0.677,  -4.353)  ( 0.00,  0.00,  0.00)
173:     electro (  0.030,  -0.079,   0.042)  (  0.030,  -0.079,   0.042)  ( 0.00,  0.00,  0.00)
173: 37       (  2.702,  11.065, -14.075)  (  2.706,  11.068, -14.063)  ( 0.15,  0.02,  0.09)
173:     bond    (  5.434,  -1.965, -15.059)  (  5.436,  -1.965, -15.047)  ( 0.03,  0.01,  0.08)
173:     angle   ( -6.922,   9.749,  -3.773)  ( -6.920,   9.751,  -3.773)  ( 0.03,  0.02,  0.01)
173:     torsion ( -1.385,   6.532,  -1.353)  ( -1.385,   6.532,  -1.353)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.021,  -3.169,   6.271)  (  6.021,  -3.169,   6.271)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.447,  -0.082,  -0.161)  ( -0.447,  -0.082,  -0.161)  ( 0.00,  0.00,  0.00)
173: 38       (  6.424,  19.193,   1.053)  (  6.427,  19.207,   1.056)  ( 0.05,  0.07,  0.22)
173:     bond    ( -3.922,  19.838,   1.549)  ( -3.921,  19.851,   1.549)  ( 0.02,  0.07,  0.01)
173:     angle   ( 18.258,   4.139,  -6.820)  ( 18.260,   4.139,  -6.818)  ( 0.01,  0.00,  0.03)
173:     torsion ( -1.009,  -0.621,   5.406)  ( -1.009,  -0.621,   5.406)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.486,  -4.338,   0.616)  ( -6.486,  -4.338,   0.616)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.416,   0.175,   0.302)  ( -0.416,   0.175,   0.302)  ( 0.00,  0.00,  0.00)
173: 39       (  2.389,  11.625,   2.946)  (  2.393,  11.639,   2.948)  ( 0.16,  0.12,  0.06)
173:     bond    ( -0.674,  12.590,  -2.228)  ( -0.674,  12.604,  -2.228)  ( 0.01,  0.11,  0.02)
173:     angle   ( -3.946,  -0.319,  -0.610)  ( -3.943,  -0.319,  -0.610)  ( 0.08,  0.00,  0.00)
173:     torsion ( -0.192,   0.884,   5.056)  ( -0.192,   0.884,   5.057)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.973,  -1.258,   0.526)  (  6.973,  -1.258,   0.526)  ( 0.00,  0.00,  0.00)
173:     electro (  0.229,  -0.271,   0.203)  (  0.229,  -0.271,   0.203)  ( 0.00,  0.00,  0.00)
173: 40       (  0.317,   6.239, -12.048)  (  0.323,   6.243, -12.038)  ( 0.18,  0.06,  0.08)
173:     bond    ( -6.745,   3.732, -10.241)  ( -6.741,   3.733, -10.232)  ( 0.06,  0.03,  0.09)
173:     angle   (  4.852,   4.160,  -1.680)  (  4.853,   4.163,  -1.679)  ( 0.03,  0.06,  0.04)
173:     torsion (  2.807,   2.075,  -1.093)  (  2.807,   2.075,  -1.093)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.707,  -3.828,   0.904)  ( -0.707,  -3.828,   0.904)  ( 0.00,  0.00,  0.00)
173:     electro (  0.110,   0.099,   0.061)  (  0.110,   0.099,   0.061)  ( 0.00,  0.00,  0.00)
173: 41       ( -2.273,  10.453,   6.209)  ( -2.268,  10.457,   6.219)  ( 0.24,  0.04,  0.16)
173:     bond    ( -5.788,   3.588,   9.319)  ( -5.784,   3.590,   9.329)  ( 0.06,  0.04,  0.10)
173:     angle   (  8.488,  16.065,  -0.919)  (  8.490,  16.067,  -0.919)  ( 0.02,  0.01,  0.07)
173:     torsion ( -3.730,  -1.289,  -1.817)  ( -3.730,  -1.289,  -1.817)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.346,  -7.951,  -0.446)  ( -1.346,  -7.950,  -0.446)  ( 0.00,  0.00,  0.00)
173:     electro (  0.103,   0.039,   0.071)  (  0.103,   0.039,   0.071)  ( 0.00,  0.00,  0.00)
173: 42       ( -3.377,   4.884,  -9.057)  ( -3.374,   4.887,  -9.044)  ( 0.09,  0.05,  0.15)
173:     bond    (  1.963,   0.521, -10.197)  (  1.964,   0.521, -10.183)  ( 0.03,  0.00,  0.13)
173:     angle   ( -9.996,   8.198,  -1.508)  ( -9.994,   8.200,  -1.507)  ( 0.02,  0.03,  0.01)
173:     torsion ( -0.144,   6.172,   0.288)  ( -0.145,   6.172,   0.288)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.858,  -9.999,   2.352)  (  4.858,  -9.999,   2.352)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.058,  -0.008,   0.007)  ( -0.058,  -0.008,   0.007)  ( 0.00,  0.00,  0.00)
173: 43       ( -3.105,   8.144,  -3.972)  ( -3.101,   8.156,  -3.969)  ( 0.14,  0.14,  0.08)
173:     bond    ( -3.568,   8.130,   2.505)  ( -3.565,   8.141,   2.507)  ( 0.06,  0.14,  0.04)
173:     angle   (  1.193,   4.827, -13.981)  (  1.195,   4.828, -13.979)  ( 0.17,  0.01,  0.02)
173:     torsion ( -2.182,  -2.621,   5.410)  ( -2.182,  -2.621,   5.410)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.453,  -2.137,   2.022)  (  1.453,  -2.137,   2.022)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.001,  -0.054,   0.073)  ( -0.001,  -0.054,   0.073)  ( 0.00,  0.00,  0.00)
173: 44       (-10.784,   4.905,  -2.290)  (-10.780,   4.909,  -2.279)  ( 0.03,  0.09,  0.48)
173:     bond    ( -1.245,  -1.494,  -3.293)  ( -1.244,  -1.492,  -3.283)  ( 0.12,  0.15,  0.32)
173:     angle   ( -7.495,  16.263,  -4.553)  ( -7.493,  16.265,  -4.552)  ( 0.03,  0.01,  0.01)
173:     torsion ( -3.199,  -2.788,   2.479)  ( -3.199,  -2.788,   2.479)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.131,  -7.171,   3.119)  (  1.131,  -7.171,   3.119)  ( 0.01,  0.00,  0.00)
173:     electro (  0.025,   0.096,  -0.043)  (  0.025,   0.096,  -0.043)  ( 0.00,  0.00,  0.00)
173: 45       ( -5.582,   7.292,   6.953)  ( -5.572,   7.295,   6.958)  ( 0.18,  0.05,  0.08)
173:     bond    (-10.157,   4.382,   6.381)  (-10.148,   4.383,   6.385)  ( 0.09,  0.04,  0.06)
173:     angle   ( -1.443,  -0.968,  -1.632)  ( -1.443,  -0.966,  -1.630)  ( 0.06,  0.20,  0.11)
173:     torsion (  2.298,   4.300,   0.702)  (  2.298,   4.299,   0.701)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.614,  -0.509,   1.475)  (  3.614,  -0.509,   1.475)  ( 0.00,  0.01,  0.00)
173:     electro (  0.107,   0.087,   0.027)  (  0.107,   0.087,   0.027)  ( 0.00,  0.00,  0.00)
173: 46       (  1.502,  -2.484,  22.995)  (  1.505,  -2.479,  23.008)  ( 0.19,  0.19,  0.06)
173:     bond    ( -3.493,   9.127,  26.544)  ( -3.492,   9.129,  26.556)  ( 0.01,  0.02,  0.05)
173:     angle   ( -3.216,   8.998,  -3.517)  ( -3.214,   9.000,  -3.516)  ( 0.07,  0.03,  0.01)
173:     torsion (  1.122,  -6.958,   2.539)  (  1.122,  -6.958,   2.539)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.029, -13.585,  -2.478)  (  7.029, -13.584,  -2.478)  ( 0.00,  0.01,  0.00)
173:     electro (  0.060,  -0.066,  -0.093)  (  0.060,  -0.066,  -0.093)  ( 0.00,  0.00,  0.00)
173: 47       ( 12.368,  -4.506,  -9.860)  ( 12.376,  -4.499,  -9.853)  ( 0.06,  0.14,  0.07)
173:     bond    (  3.308,  -3.151,  -3.452)  (  3.313,  -3.147,  -3.447)  ( 0.14,  0.14,  0.15)
173:     angle   ( -8.806, -11.034,   1.609)  ( -8.804, -11.032,   1.611)  ( 0.02,  0.02,  0.09)
173:     torsion (  0.935,  -1.718,   2.467)  (  0.935,  -1.718,   2.467)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 17.166,  11.473, -10.633)  ( 17.167,  11.474, -10.632)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.235,  -0.076,   0.149)  ( -0.235,  -0.076,   0.149)  ( 0.00,  0.00,  0.00)
173: 48       ( -8.697,   6.010,  -3.440)  ( -8.690,   6.018,  -3.435)  ( 0.08,  0.12,  0.15)
173:     bond    ( -5.745,   6.100,   4.627)  ( -5.740,   6.106,   4.630)  ( 0.09,  0.09,  0.07)
173:     angle   ( -1.120,   0.588,  -2.166)  ( -1.118,   0.590,  -2.164)  ( 0.15,  0.08,  0.07)
173:     torsion ( -2.382,   2.622,  -6.411)  ( -2.382,   2.622,  -6.411)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.557,  -3.149,   0.414)  (  0.557,  -3.149,   0.414)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.007,  -0.151,   0.096)  ( -0.007,  -0.151,   0.096)  ( 0.00,  0.00,  0.00)
173: 49       (  4.913,  -4.170, -18.999)  (  4.916,  -4.167, -18.986)  ( 0.05,  0.08,  0.07)
173:     bond    ( -1.163,   3.976, -17.396)  ( -1.163,   3.976, -17.383)  ( 0.01,  0.02,  0.08)
173:     angle   ( -1.866,  -8.632,  -1.849)  ( -1.864,  -8.630,  -1.849)  ( 0.13,  0.03,  0.01)
173:     torsion (  4.281,  -3.420,  -1.069)  (  4.281,  -3.420,  -1.069)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.684,   4.030,   1.201)  (  3.684,   4.030,   1.201)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.022,  -0.124,   0.114)  ( -0.022,  -0.124,   0.114)  ( 0.00,  0.00,  0.00)
173: 50       ( -2.928,  -5.591, -15.480)  ( -2.923,  -5.584, -15.471)  ( 0.15,  0.12,  0.05)
173:     bond    (  5.810,  -8.644, -10.914)  (  5.813,  -8.639, -10.907)  ( 0.04,  0.05,  0.07)
173:     angle   ( -1.237,   2.617,  -2.734)  ( -1.235,   2.619,  -2.733)  ( 0.17,  0.06,  0.04)
173:     torsion ( -3.418,   2.575,  -3.861)  ( -3.418,   2.575,  -3.861)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.067,  -2.271,   2.010)  ( -4.067,  -2.271,   2.010)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.016,   0.132,   0.019)  ( -0.016,   0.132,   0.019)  ( 0.00,  0.00,  0.00)
173: 51       ( 19.616,  -0.297,   9.656)  ( 19.620,  -0.292,   9.667)  ( 0.02,  0.13,  0.12)
173:     bond    ( -1.047,   1.371,  -3.118)  ( -1.046,   1.373,  -3.107)  ( 0.12,  0.15,  0.35)
173:     angle   (-19.284, -11.124,   1.573)  (-19.282, -11.122,   1.574)  ( 0.01,  0.02,  0.03)
173:     torsion (  4.242,  -4.702,  -3.506)  (  4.242,  -4.702,  -3.506)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 35.747,  14.123,  14.700)  ( 35.748,  14.124,  14.700)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.042,   0.035,   0.006)  ( -0.042,   0.035,   0.006)  ( 0.00,  0.00,  0.00)
173: 52       (-13.704,   6.920,  -1.069)  (-13.701,   6.923,  -1.057)  ( 0.03,  0.05,  1.14)
173:     bond    ( -3.332,   2.481,  -9.253)  ( -3.330,   2.482,  -9.241)  ( 0.05,  0.04,  0.13)
173:     angle   ( -2.775,   9.142,   3.455)  ( -2.773,   9.144,   3.455)  ( 0.08,  0.02,  0.01)
173:     torsion ( -4.300,   1.076,   1.838)  ( -4.300,   1.076,   1.838)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.362,  -5.634,   2.789)  ( -3.362,  -5.634,   2.789)  ( 0.00,  0.00,  0.00)
173:     electro (  0.065,  -0.146,   0.101)  (  0.065,  -0.146,   0.101)  ( 0.00,  0.00,  0.00)
173: 53       ( -6.772,   4.115,  19.114)  ( -6.767,   4.123,  19.121)  ( 0.07,  0.20,  0.04)
173:     bond    ( -7.768,  13.770,  12.651)  ( -7.765,  13.777,  12.656)  ( 0.03,  0.05,  0.04)
173:     angle   ( -6.357,  -8.669,   5.534)  ( -6.355,  -8.668,   5.535)  ( 0.03,  0.02,  0.02)
174:     bond    (473.237, -551.537, 337.686)  (473.318, -551.490, 337.743)  ( 0.02,  0.01,  0.02)
174:     angle   (  0.489,   0.094,   0.027)  (  0.499,   0.101,   0.035)  ( 0.50,  0.06,  0.02)
174:     torsion (  0.033,  -0.048,  -0.041)  (  0.034,  -0.046,  -0.041)  ( 0.00,  0.01,  0.00)
174:     vdw     (  2.230,  -1.064,   4.099)  (  2.230,  -1.064,   4.099)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       (552.444, -341.903, -476.173)  (552.499, -341.837, -476.081)  ( 0.01,  0.02,  0.02)
174:     bond    (551.443, -337.801, -473.399)  (551.490, -337.743, -473.318)  ( 0.01,  0.02,  0.02)
174:     angle   ( -0.107,  -0.043,  -0.509)  ( -0.101,  -0.035,  -0.499)  ( 0.07,  0.03,  0.52)
174:     torsion (  0.045,   0.040,  -0.034)  (  0.046,   0.041,  -0.034)  ( 0.01,  0.00,  0.00)
174:     vdw     (  1.064,  -4.099,  -2.230)  (  1.064,  -4.099,  -2.230)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 14       (-211.337, 129.863, -763.780)  (-211.256, 129.900, -763.686)  ( 0.04,  0.03,  0.01)
174:     bond    (-208.536, 131.714, -760.656)  (-208.466, 131.744, -760.571)  ( 0.03,  0.02,  0.01)
174:     angle   ( -0.222,   0.101,   0.436)  ( -0.212,   0.107,   0.445)  ( 0.22,  0.06,  0.37)
174:     torsion ( -0.044,  -0.074,   0.042)  ( -0.043,  -0.072,   0.042)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.535,  -1.879,  -3.603)  ( -2.535,  -1.878,  -3.603)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 15       (552.444, -341.903, 475.989)  (552.499, -341.837, 476.081)  ( 0.01,  0.02,  0.02)
174:     bond    (551.443, -337.801, 473.237)  (551.490, -337.743, 473.318)  ( 0.01,  0.02,  0.02)
174:     angle   ( -0.107,  -0.043,   0.489)  ( -0.101,  -0.035,   0.499)  ( 0.07,  0.03,  0.50)
174:     torsion (  0.045,   0.040,   0.033)  (  0.046,   0.041,   0.034)  ( 0.01,  0.00,  0.00)
174:     vdw     (  1.064,  -4.099,   2.230)  (  1.064,  -4.099,   2.230)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       (-682.022, 423.048,  -0.090)  (-681.921, 423.070,   0.000)  ( 0.01,  0.01,  0.82)
174:     bond    (-677.189, 423.212,  -0.078)  (-677.098, 423.228,   0.000)  ( 0.01,  0.00,  0.61)
174:     angle   ( -0.091,   0.287,  -0.011)  ( -0.082,   0.291,   0.000)  ( 0.09,  0.11,  0.01)
174:     torsion (  0.015,   0.048,  -0.001)  (  0.015,   0.050,   0.000)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -4.757,  -0.499,  -0.000)  ( -4.757,  -0.499,  -0.000)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 17       (341.770, -476.173, -552.554)  (341.837, -476.081, -552.499)  ( 0.02,  0.02,  0.01)
174:     bond    (337.686, -473.399, -551.537)  (337.743, -473.318, -551.490)  ( 0.02,  0.02,  0.01)
174:     angle   (  0.027,  -0.509,   0.094)  (  0.035,  -0.499,   0.101)  ( 0.02,  0.52,  0.06)
174:     torsion ( -0.041,  -0.034,  -0.048)  ( -0.041,  -0.034,  -0.046)  ( 0.00,  0.00,  0.01)
174:     vdw     (  4.099,  -2.230,  -1.064)  (  4.099,  -2.230,  -1.064)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       (-476.173, 552.444, 341.770)  (-476.081, 552.499, 341.837)  ( 0.02,  0.01,  0.02)
174:     bond    (-473.399, 551.443, 337.686)  (-473.318, 551.490, 337.743)  ( 0.02,  0.01,  0.02)
174:     angle   ( -0.509,  -0.107,   0.027)  ( -0.499,  -0.101,   0.035)  ( 0.52,  0.07,  0.02)
174:     torsion ( -0.034,   0.045,  -0.041)  ( -0.034,   0.046,  -0.041)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.230,   1.064,   4.099)  ( -2.230,   1.064,   4.099)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       (-211.337, 129.863, 763.591)  (-211.256, 129.900, 763.686)  ( 0.04,  0.03,  0.01)
174:     bond    (-208.536, 131.714, 760.485)  (-208.466, 131.744, 760.571)  ( 0.03,  0.02,  0.01)
174:     angle   ( -0.222,   0.101,  -0.453)  ( -0.212,   0.107,  -0.445)  ( 0.22,  0.06,  0.38)
173:     torsion (  3.944,   1.224,   1.087)  (  3.944,   1.224,   1.087)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.332,  -2.032,  -0.117)  (  3.332,  -2.032,  -0.117)  ( 0.00,  0.01,  0.00)
173:     electro (  0.077,  -0.179,  -0.041)  (  0.077,  -0.179,  -0.041)  ( 0.00,  0.00,  0.00)
173: 54       ( -9.251,  -2.073,  15.373)  ( -9.249,  -2.071,  15.387)  ( 0.03,  0.14,  0.09)
173:     bond    ( -1.729,   0.440,  19.656)  ( -1.729,   0.440,  19.670)  ( 0.01,  0.00,  0.07)
173:     angle   ( -0.508,  -2.205,   0.005)  ( -0.506,  -2.203,   0.005)  ( 0.12,  0.12,  0.00)
173:     torsion ( -7.215,  -1.283,  -0.605)  ( -7.215,  -1.283,  -0.605)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.152,   0.997,  -3.350)  (  0.152,   0.997,  -3.350)  ( 0.00,  0.01,  0.00)
173:     electro (  0.049,  -0.022,  -0.333)  (  0.049,  -0.022,  -0.333)  ( 0.00,  0.00,  0.00)
173: 55       (  2.696,  -3.472,  -0.969)  (  2.709,  -3.469,  -0.965)  ( 0.49,  0.08,  0.30)
173:     bond    ( -0.003,   0.001,   0.002)  (  0.010,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
173:     angle   (  0.968, -19.998,   2.649)  (  0.968, -19.996,   2.651)  ( 0.02,  0.01,  0.07)
173:     torsion (  0.546,   0.938,  -2.130)  (  0.546,   0.938,  -2.130)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.265,  15.526,  -1.506)  (  1.265,  15.526,  -1.506)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.079,   0.063,   0.017)  ( -0.079,   0.063,   0.017)  ( 0.00,  0.00,  0.00)
173: 56       ( -7.342, -13.590,  -2.119)  ( -7.340, -13.587,  -2.105)  ( 0.03,  0.02,  0.64)
173:     bond    ( -0.228,  -1.518,  -7.046)  ( -0.228,  -1.517,  -7.032)  ( 0.00,  0.04,  0.19)
173:     angle   (  1.375, -14.093,   2.995)  (  1.377, -14.091,   2.995)  ( 0.16,  0.01,  0.00)
173:     torsion ( -2.507,  -1.771,   0.463)  ( -2.507,  -1.771,   0.463)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.863,   3.701,   1.444)  ( -5.863,   3.701,   1.444)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.119,   0.091,   0.025)  ( -0.119,   0.091,   0.025)  ( 0.00,  0.00,  0.00)
173: 57       ( -3.437, -13.153,  10.542)  ( -3.433, -13.143,  10.547)  ( 0.12,  0.07,  0.05)
173:     bond    ( -7.015, -14.859,   9.112)  ( -7.013, -14.850,   9.116)  ( 0.03,  0.06,  0.04)
173:     angle   (  5.572,  -2.900,  -0.436)  (  5.574,  -2.899,  -0.434)  ( 0.03,  0.03,  0.07)
173:     torsion (  1.664,   0.516,   2.120)  (  1.664,   0.516,   2.120)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.550,   3.955,  -0.253)  ( -3.550,   3.955,  -0.253)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.108,   0.135,  -0.002)  ( -0.108,   0.135,  -0.002)  ( 0.00,  0.00,  0.00)
173: 58       ( -8.967,  -0.985,  -4.497)  ( -8.961,  -0.975,  -4.494)  ( 0.07,  0.96,  0.06)
173:     bond    ( -3.054,   4.137,   0.969)  ( -3.049,   4.146,   0.970)  ( 0.16,  0.21,  0.05)
173:     angle   (-10.621,  -6.790,  -4.360)  (-10.619,  -6.789,  -4.358)  ( 0.01,  0.01,  0.05)
173:     torsion (  0.462,   0.660,  -1.369)  (  0.462,   0.660,  -1.369)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.078,   1.000,   0.239)  (  4.078,   1.001,   0.239)  ( 0.00,  0.00,  0.00)
173:     electro (  0.167,   0.007,   0.023)  (  0.167,   0.007,   0.023)  ( 0.00,  0.00,  0.00)
173: 59       ( -9.358, -11.621,   0.696)  ( -9.353, -11.611,   0.700)  ( 0.05,  0.08,  0.29)
173:     bond    ( -6.959, -12.644,   6.347)  ( -6.957, -12.635,   6.349)  ( 0.04,  0.07,  0.04)
173:     angle   ( -7.398,   0.405,  -7.299)  ( -7.396,   0.405,  -7.297)  ( 0.02,  0.03,  0.02)
173:     torsion ( -0.575,   0.888,   1.138)  ( -0.575,   0.888,   1.138)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.404,  -0.292,   0.487)  (  5.404,  -0.292,   0.487)  ( 0.00,  0.00,  0.00)
173:     electro (  0.171,   0.023,   0.023)  (  0.171,   0.023,   0.023)  ( 0.00,  0.00,  0.00)
173: 60       ( -3.589,  -9.768,  -9.617)  ( -3.587,  -9.766,  -9.603)  ( 0.07,  0.02,  0.14)
173:     bond    (  0.325,  -1.894, -13.079)  (  0.325,  -1.894, -13.065)  ( 0.00,  0.02,  0.11)
173:     angle   (-10.501,  -5.287,   0.505)  (-10.499,  -5.285,   0.505)  ( 0.02,  0.04,  0.00)
173:     torsion (  0.134,  -1.812,   0.266)  (  0.134,  -1.811,   0.266)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.306,  -0.790,   2.628)  (  6.306,  -0.790,   2.628)  ( 0.00,  0.00,  0.00)
173:     electro (  0.147,   0.015,   0.063)  (  0.147,   0.015,   0.063)  ( 0.00,  0.00,  0.00)
173: 61       (  1.131,  -1.661,   5.517)  (  1.143,  -1.658,   5.521)  ( 1.07,  0.18,  0.07)
173:     bond    (  0.790,   0.192,   0.327)  (  0.801,   0.193,   0.329)  ( 0.91,  0.01,  0.06)
173:     angle   ( -1.535, -14.190,  12.056)  ( -1.535, -14.188,  12.058)  ( 0.03,  0.01,  0.02)
173:     torsion ( -1.058,   2.524,   1.095)  ( -1.058,   2.524,   1.095)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.958,   9.790,  -7.974)  (  2.958,   9.790,  -7.974)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.024,   0.022,   0.013)  ( -0.024,   0.022,   0.013)  ( 0.00,  0.00,  0.00)
173: 62       (-18.793,  -8.916,  -2.322)  (-18.790,  -8.902,  -2.319)  ( 0.02,  0.16,  0.11)
173:     bond    ( -0.155,  -1.815,   0.061)  ( -0.155,  -1.801,   0.061)  ( 0.00,  0.77,  0.00)
173:     angle   ( 11.176,  -0.415,  16.278)  ( 11.178,  -0.415,  16.280)  ( 0.02,  0.00,  0.01)
173:     torsion (  3.102,  -0.284,  -0.492)  (  3.102,  -0.284,  -0.492)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-32.887,  -6.407, -18.129)  (-32.886,  -6.407, -18.129)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.028,   0.005,  -0.039)  ( -0.028,   0.005,  -0.039)  ( 0.00,  0.00,  0.00)
173: 63       ( -9.679,   4.907,   3.945)  ( -9.671,   4.911,   3.952)  ( 0.08,  0.08,  0.18)
173:     bond    ( -9.380,   5.378,   8.317)  ( -9.373,   5.380,   8.322)  ( 0.07,  0.04,  0.06)
173:     angle   (  2.019,  -0.632,   2.681)  (  2.020,  -0.630,   2.682)  ( 0.05,  0.11,  0.06)
173:     torsion ( -1.826,  -2.219,  -0.622)  ( -1.826,  -2.219,  -0.622)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.491,   2.299,  -6.394)  ( -0.491,   2.299,  -6.394)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.001,   0.081,  -0.036)  ( -0.001,   0.081,  -0.036)  ( 0.00,  0.00,  0.00)
173: 64       ( 14.765,  -3.549,   0.688)  ( 14.779,  -3.547,   0.692)  ( 0.09,  0.07,  0.24)
173:     bond    (  5.465,   0.880,  -1.324)  (  5.478,   0.880,  -1.323)  ( 0.24,  0.03,  0.06)
173:     angle   ( -3.603, -13.053, -23.595)  ( -3.602, -13.051, -23.593)  ( 0.01,  0.02,  0.01)
173:     torsion (  0.640,  -2.270,   1.141)  (  0.640,  -2.270,   1.141)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 12.181,  10.982,  24.513)  ( 12.181,  10.982,  24.513)  ( 0.00,  0.00,  0.00)
173:     electro (  0.082,  -0.088,  -0.046)  (  0.082,  -0.088,  -0.046)  ( 0.00,  0.00,  0.00)
173: 65       (  3.892,  10.006,  -9.110)  (  3.898,  10.011,  -9.101)  ( 0.15,  0.04,  0.10)
173:     bond    ( -2.770,   2.059,  -3.865)  ( -2.766,   2.061,  -3.858)  ( 0.15,  0.11,  0.20)
173:     angle   ( 15.805, -10.041, -16.698)  ( 15.807, -10.039, -16.697)  ( 0.01,  0.02,  0.01)
173:     torsion (  1.831,   1.886,  -0.305)  (  1.831,   1.887,  -0.305)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-10.990,  16.110,  11.893)  (-10.990,  16.110,  11.894)  ( 0.00,  0.00,  0.00)
173:     electro (  0.017,  -0.008,  -0.136)  (  0.017,  -0.008,  -0.136)  ( 0.00,  0.00,  0.00)
173: 66       ( -9.115,  -9.006,  -1.471)  ( -9.113,  -8.992,  -1.468)  ( 0.03,  0.15,  0.18)
173:     bond    ( -0.323,  -2.331,  -0.063)  ( -0.323,  -2.317,  -0.063)  ( 0.01,  0.59,  0.00)
174:     torsion ( -0.044,  -0.074,  -0.043)  ( -0.043,  -0.072,  -0.042)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.535,  -1.879,   3.603)  ( -2.535,  -1.878,   3.603)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (211.175, 129.863, -763.780)  (211.256, 129.900, -763.686)  ( 0.04,  0.03,  0.01)
174:     bond    (208.396, 131.714, -760.656)  (208.466, 131.744, -760.571)  ( 0.03,  0.02,  0.01)
174:     angle   (  0.202,   0.101,   0.436)  (  0.212,   0.107,   0.445)  ( 0.20,  0.06,  0.37)
174:     torsion (  0.042,  -0.074,   0.042)  (  0.043,  -0.072,   0.042)  ( 0.00,  0.01,  0.00)
174:     vdw     (  2.535,  -1.879,  -3.603)  (  2.535,  -1.878,  -3.603)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (341.770, 475.989, -552.554)  (341.837, 476.081, -552.499)  ( 0.02,  0.02,  0.01)
174:     bond    (337.686, 473.237, -551.537)  (337.743, 473.318, -551.490)  ( 0.02,  0.02,  0.01)
174:     angle   (  0.027,   0.489,   0.094)  (  0.035,   0.499,   0.101)  ( 0.02,  0.50,  0.06)
174:     torsion ( -0.041,   0.033,  -0.048)  ( -0.041,   0.034,  -0.046)  ( 0.00,  0.00,  0.01)
174:     vdw     (  4.099,   2.230,  -1.064)  (  4.099,   2.230,  -1.064)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       (423.048,  -0.090, 681.819)  (423.070,  -0.000, 681.921)  ( 0.01,  0.82,  0.01)
174:     bond    (423.212,  -0.078, 677.006)  (423.228,   0.000, 677.098)  ( 0.00,  0.61,  0.01)
174:     angle   (  0.287,  -0.011,   0.072)  (  0.291,  -0.000,   0.082)  ( 0.11,  0.01,  0.07)
174:     torsion (  0.048,  -0.001,  -0.016)  (  0.050,   0.000,  -0.015)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -0.499,  -0.000,   4.757)  ( -0.499,   0.000,   4.757)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       (552.444, 341.770, -476.173)  (552.499, 341.837, -476.081)  ( 0.01,  0.02,  0.02)
174:     bond    (551.443, 337.686, -473.399)  (551.490, 337.743, -473.318)  ( 0.01,  0.02,  0.02)
174:     angle   ( -0.107,   0.027,  -0.509)  ( -0.101,   0.035,  -0.499)  ( 0.07,  0.02,  0.52)
174:     torsion (  0.045,  -0.041,  -0.034)  (  0.046,  -0.041,  -0.034)  ( 0.01,  0.00,  0.00)
174:     vdw     (  1.064,   4.099,  -2.230)  (  1.064,   4.099,  -2.230)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       (-129.938, -763.780, 211.175)  (-129.900, -763.686, 211.256)  ( 0.03,  0.01,  0.04)
174:     bond    (-131.774, -760.656, 208.396)  (-131.744, -760.571, 208.466)  ( 0.02,  0.01,  0.03)
174:     angle   ( -0.114,   0.436,   0.202)  ( -0.107,   0.445,   0.212)  ( 0.07,  0.37,  0.20)
174:     torsion (  0.071,   0.042,   0.042)  (  0.072,   0.042,   0.043)  ( 0.01,  0.00,  0.00)
174:     vdw     (  1.878,  -3.603,   2.535)  (  1.878,  -3.603,   2.535)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       (-211.337, -129.938, -763.780)  (-211.256, -129.900, -763.686)  ( 0.04,  0.03,  0.01)
174:     bond    (-208.536, -131.774, -760.656)  (-208.466, -131.744, -760.571)  ( 0.03,  0.02,  0.01)
174:     angle   ( -0.222,  -0.114,   0.436)  ( -0.212,  -0.107,   0.445)  ( 0.22,  0.07,  0.37)
174:     torsion ( -0.044,   0.071,   0.042)  ( -0.043,   0.072,   0.042)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.535,   1.878,  -3.603)  ( -2.535,   1.878,  -3.603)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 26       (-476.173, -552.554, 341.770)  (-476.081, -552.499, 341.837)  ( 0.02,  0.01,  0.02)
174:     bond    (-473.399, -551.537, 337.686)  (-473.318, -551.490, 337.743)  ( 0.02,  0.01,  0.02)
174:     angle   ( -0.509,   0.094,   0.027)  ( -0.499,   0.101,   0.035)  ( 0.52,  0.06,  0.02)
174:     torsion ( -0.034,  -0.048,  -0.041)  ( -0.034,  -0.046,  -0.041)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.230,  -1.064,   4.099)  ( -2.230,  -1.064,   4.099)  ( 0.01,  0.00,  0.00)
173:     angle   ( 11.074,  -1.131, -15.051)  ( 11.076,  -1.131, -15.049)  ( 0.02,  0.00,  0.02)
173:     torsion ( -2.233,   0.331,  -0.749)  ( -2.233,   0.331,  -0.749)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-17.663,  -5.755,  14.342)  (-17.663,  -5.755,  14.342)  ( 0.00,  0.00,  0.00)
173:     electro (  0.030,  -0.120,   0.051)  (  0.030,  -0.120,   0.051)  ( 0.00,  0.00,  0.00)
173: 67       (  5.918,  -9.153,   3.030)  (  5.921,  -9.139,   3.033)  ( 0.05,  0.15,  0.08)
173:     bond    (  1.178, -11.514,   0.493)  (  1.178, -11.500,   0.493)  ( 0.02,  0.12,  0.00)
173:     angle   (  6.250,   1.025,   8.968)  (  6.252,   1.025,   8.970)  ( 0.04,  0.00,  0.02)
173:     torsion (  0.695,  -0.077,  -3.453)  (  0.695,  -0.077,  -3.453)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.325,   1.329,  -2.927)  ( -2.325,   1.329,  -2.927)  ( 0.01,  0.00,  0.00)
173:     electro (  0.121,   0.084,  -0.051)  (  0.121,   0.084,  -0.051)  ( 0.00,  0.00,  0.00)
173: 68       (  0.482,   2.947,  13.576)  (  0.486,   2.950,  13.588)  ( 0.18,  0.12,  0.09)
173:     bond    ( -4.784,   4.778,  14.747)  ( -4.782,   4.780,  14.759)  ( 0.03,  0.03,  0.08)
173:     angle   (  8.501,  -1.938,   3.382)  (  8.503,  -1.936,   3.382)  ( 0.03,  0.10,  0.01)
173:     torsion (  0.482,  -4.936,   1.755)  (  0.482,  -4.936,   1.755)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.760,   4.943,  -6.294)  ( -3.759,   4.943,  -6.294)  ( 0.00,  0.00,  0.00)
173:     electro (  0.042,   0.099,  -0.014)  (  0.042,   0.099,  -0.014)  ( 0.00,  0.00,  0.00)
173: 69       (  9.153,  -3.697, -10.224)  (  9.158,  -3.692, -10.214)  ( 0.05,  0.15,  0.09)
173:     bond    (  0.831,  -0.975,  -1.503)  (  0.834,  -0.971,  -1.495)  ( 0.21,  0.34,  0.54)
173:     angle   (  2.396, -12.562,   9.494)  (  2.397, -12.560,   9.495)  ( 0.08,  0.02,  0.01)
173:     torsion (  5.617,  -2.100,   4.496)  (  5.617,  -2.100,   4.496)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.258,  12.064, -22.714)  (  0.259,  12.064, -22.714)  ( 0.02,  0.00,  0.00)
173:     electro (  0.051,  -0.125,   0.004)  (  0.051,  -0.125,   0.004)  ( 0.00,  0.00,  0.00)
173: 70       (  7.709,  -1.420,  13.480)  (  7.716,  -1.417,  13.489)  ( 0.09,  0.22,  0.07)
173:     bond    (  9.230,  -2.843,  12.603)  (  9.235,  -2.843,  12.611)  ( 0.05,  0.02,  0.07)
173:     angle   ( -0.993,  -6.827,  -0.813)  ( -0.992,  -6.825,  -0.812)  ( 0.15,  0.03,  0.06)
173:     torsion ( -3.437,   2.418,   3.061)  ( -3.437,   2.418,   3.061)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.924,   5.851,  -1.469)  (  2.924,   5.851,  -1.469)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.015,  -0.018,   0.098)  ( -0.015,  -0.018,   0.098)  ( 0.00,  0.00,  0.00)
173: 71       ( 15.337,   0.468,  -6.953)  ( 15.349,   0.472,  -6.949)  ( 0.08,  0.18,  0.06)
173:     bond    ( 10.156,   4.115,  -3.749)  ( 10.167,   4.117,  -3.748)  ( 0.11,  0.04,  0.04)
173:     angle   ( -2.895, -13.080, -22.219)  ( -2.894, -13.078, -22.217)  ( 0.02,  0.01,  0.01)
173:     torsion (  0.311,  -0.472,   0.325)  (  0.311,  -0.472,   0.325)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.727,  10.056,  18.626)  (  7.727,  10.056,  18.626)  ( 0.00,  0.00,  0.00)
173:     electro (  0.039,  -0.151,   0.065)  (  0.039,  -0.151,   0.065)  ( 0.00,  0.00,  0.00)
173: 72       ( -2.716,   3.451, -11.879)  ( -2.708,   3.454, -11.870)  ( 0.29,  0.08,  0.07)
173:     bond    ( -5.252,   1.505,  -5.857)  ( -5.246,   1.506,  -5.849)  ( 0.12,  0.04,  0.13)
173:     angle   ( 16.316,  -1.564, -15.037)  ( 16.317,  -1.562, -15.036)  ( 0.01,  0.13,  0.01)
173:     torsion (  0.522,   0.865,  -0.245)  (  0.522,   0.865,  -0.245)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 27       (552.444, 341.770, 475.989)  (552.499, 341.837, 476.081)  ( 0.01,  0.02,  0.02)
174:     bond    (551.443, 337.686, 473.237)  (551.490, 337.743, 473.318)  ( 0.01,  0.02,  0.02)
174:     angle   ( -0.107,   0.027,   0.489)  ( -0.101,   0.035,   0.499)  ( 0.07,  0.02,  0.50)
174:     torsion (  0.045,  -0.041,   0.033)  (  0.046,  -0.041,   0.034)  ( 0.01,  0.00,  0.00)
174:     vdw     (  1.064,   4.099,   2.230)  (  1.064,   4.099,   2.230)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 28       (-682.022, -423.091,  -0.090)  (-681.921, -423.070,   0.000)  ( 0.01,  0.01,  0.82)
174:     bond    (-677.189, -423.243,  -0.078)  (-677.098, -423.228,   0.000)  ( 0.01,  0.00,  0.61)
174:     angle   ( -0.091,  -0.295,  -0.011)  ( -0.082,  -0.291,   0.000)  ( 0.09,  0.12,  0.01)
174:     torsion (  0.015,  -0.052,  -0.001)  (  0.015,  -0.050,   0.000)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -4.757,   0.499,  -0.000)  ( -4.757,   0.499,  -0.000)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 29       (211.175, -129.938, -763.780)  (211.256, -129.900, -763.686)  ( 0.04,  0.03,  0.01)
174:     bond    (208.396, -131.774, -760.656)  (208.466, -131.744, -760.571)  ( 0.03,  0.02,  0.01)
174:     angle   (  0.202,  -0.114,   0.436)  (  0.212,  -0.107,   0.445)  ( 0.20,  0.07,  0.37)
174:     torsion (  0.042,   0.071,   0.042)  (  0.043,   0.072,   0.042)  ( 0.00,  0.01,  0.00)
174:     vdw     (  2.535,   1.878,  -3.603)  (  2.535,   1.878,  -3.603)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 30       (681.819, 423.048,  -0.090)  (681.921, 423.070,   0.000)  ( 0.01,  0.01,  0.82)
174:     bond    (677.006, 423.212,  -0.078)  (677.098, 423.228,   0.000)  ( 0.01,  0.00,  0.61)
174:     angle   (  0.072,   0.287,  -0.011)  (  0.082,   0.291,   0.000)  ( 0.07,  0.11,  0.01)
174:     torsion ( -0.016,   0.048,  -0.001)  ( -0.015,   0.050,   0.000)  ( 0.00,  0.01,  0.00)
174:     vdw     (  4.757,  -0.499,  -0.000)  (  4.757,  -0.499,  -0.000)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 31       (423.048,  -0.090, -682.022)  (423.070,  -0.000, -681.921)  ( 0.01,  0.82,  0.01)
174:     bond    (423.212,  -0.078, -677.189)  (423.228,   0.000, -677.098)  ( 0.00,  0.61,  0.01)
174:     angle   (  0.287,  -0.011,  -0.091)  (  0.291,   0.000,  -0.082)  ( 0.11,  0.01,  0.09)
174:     torsion (  0.048,  -0.001,   0.015)  (  0.050,  -0.000,   0.015)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -0.499,  -0.000,  -4.757)  ( -0.499,  -0.000,  -4.757)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 32       (-129.938, 763.591, 211.175)  (-129.900, 763.686, 211.256)  ( 0.03,  0.01,  0.04)
174:     bond    (-131.774, 760.485, 208.396)  (-131.744, 760.571, 208.466)  ( 0.02,  0.01,  0.03)
174:     angle   ( -0.114,  -0.453,   0.202)  ( -0.107,  -0.445,   0.212)  ( 0.07,  0.38,  0.20)
174:     torsion (  0.071,  -0.043,   0.042)  (  0.072,  -0.042,   0.043)  ( 0.01,  0.00,  0.00)
174:     vdw     (  1.878,   3.603,   2.535)  (  1.878,   3.603,   2.535)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 33       (-211.337, -129.938, 763.591)  (-211.256, -129.900, 763.686)  ( 0.04,  0.03,  0.01)
174:     bond    (-208.536, -131.774, 760.485)  (-208.466, -131.744, 760.571)  ( 0.03,  0.02,  0.01)
174:     angle   ( -0.222,  -0.114,  -0.453)  ( -0.212,  -0.107,  -0.445)  ( 0.22,  0.07,  0.38)
174:     torsion ( -0.044,   0.071,  -0.043)  ( -0.043,   0.072,  -0.042)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.535,   1.878,   3.603)  ( -2.535,   1.878,   3.603)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 34       (681.819, -423.091,  -0.090)  (681.921, -423.070,   0.000)  ( 0.01,  0.01,  0.82)
174:     bond    (677.006, -423.243,  -0.078)  (677.098, -423.228,   0.000)  ( 0.01,  0.00,  0.61)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-14.285,   2.813,   9.371)  (-14.285,   2.813,   9.371)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.017,  -0.168,  -0.111)  ( -0.017,  -0.168,  -0.111)  ( 0.00,  0.00,  0.00)
173: 73       ( -1.977,  -8.183,  -0.263)  ( -1.974,  -8.169,  -0.260)  ( 0.12,  0.17,  0.07)
173:     bond    (  0.203,  -1.906,   0.142)  (  0.203,  -1.892,   0.142)  ( 0.00,  0.73,  0.00)
173:     angle   ( 11.906,   0.081, -15.902)  ( 11.908,   0.081, -15.899)  ( 0.02,  0.00,  0.02)
173:     torsion ( -0.518,  -0.066,  -0.135)  ( -0.518,  -0.066,  -0.135)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-13.619,  -6.139,  15.500)  (-13.619,  -6.139,  15.500)  ( 0.00,  0.00,  0.00)
173:     electro (  0.052,  -0.154,   0.131)  (  0.052,  -0.154,   0.131)  ( 0.00,  0.00,  0.00)
173: 74       ( -9.261,   1.471,  -4.775)  ( -9.256,   1.473,  -4.764)  ( 0.06,  0.14,  0.21)
173:     bond    ( -3.300,  -2.275,  -4.913)  ( -3.296,  -2.273,  -4.904)  ( 0.13,  0.09,  0.19)
173:     angle   ( -0.706,  -0.289,   0.607)  ( -0.705,  -0.289,   0.608)  ( 0.08,  0.01,  0.05)
173:     torsion ( -2.796,   5.459,  -0.652)  ( -2.796,   5.459,  -0.652)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.459,  -1.424,   0.183)  ( -2.459,  -1.424,   0.183)  ( 0.00,  0.00,  0.00)
173: ok 22 # gradients 
173: ok 23 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (243.435, -129.883,  97.853)  (243.468, -129.847,  97.862)  ( 0.01,  0.03,  0.01)
173:     bond    ( 13.714, -161.918,  57.015)  ( 13.737, -161.892,  57.019)  ( 0.16,  0.02,  0.01)
173:     angle   (241.825,  42.374,  40.057)  (241.835,  42.383,  40.058)  ( 0.00,  0.02,  0.00)
173:     torsion (  1.708,  -1.592,   0.535)  (  1.708,  -1.591,   0.539)  ( 0.03,  0.05,  0.24)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-14.823,  -7.893,  -0.106)  (-14.823,  -7.893,  -0.106)  ( 0.00,  0.00,  0.00)
173:     electro (  1.012,  -0.854,   0.352)  (  1.012,  -0.854,   0.352)  ( 0.00,  0.00,  0.00)
173:  2       (-213.165, 239.894, -122.837)  (-213.131, 239.930, -122.828)  ( 0.02,  0.01,  0.01)
173:     bond    ( 41.916, 143.345, -37.441)  ( 41.937, 143.373, -37.437)  ( 0.05,  0.02,  0.01)
173:     angle   (-253.888,  71.912, -100.043)  (-253.878,  71.918, -100.043)  ( 0.00,  0.01,  0.00)
173:     torsion ( -6.134,   7.270,  24.251)  ( -6.134,   7.271,  24.255)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.565,  18.251,  -9.760)  (  5.566,  18.252,  -9.761)  ( 0.02,  0.00,  0.00)
173:     electro ( -0.624,  -0.884,   0.157)  ( -0.624,  -0.884,   0.157)  ( 0.00,  0.00,  0.00)
173:  3       (-150.025, 122.428, -24.536)  (-149.990, 122.475, -24.531)  ( 0.02,  0.04,  0.02)
173:     bond    (-100.738, 108.256, -17.186)  (-100.713, 108.294, -17.185)  ( 0.02,  0.04,  0.01)
173:     angle   (-47.166,  14.804,  -4.640)  (-47.156,  14.813,  -4.640)  ( 0.02,  0.06,  0.02)
173:     torsion ( -1.343,   3.194,  -3.831)  ( -1.343,   3.194,  -3.828)  ( 0.00,  0.00,  0.07)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.737,   0.521,  -2.281)  ( -6.737,   0.521,  -2.281)  ( 0.00,  0.01,  0.00)
173:     electro (  5.959,  -4.347,   3.403)  (  5.959,  -4.347,   3.403)  ( 0.00,  0.00,  0.00)
173:  4       (  9.643, -88.299,  28.696)  (  9.675, -88.259,  28.708)  ( 0.33,  0.05,  0.04)
173:     bond    (  3.149,  11.268,  -3.764)  (  3.171,  11.298,  -3.757)  ( 0.73,  0.27,  0.19)
173:     angle   (  6.039, -82.872,  35.774)  (  6.047, -82.864,  35.776)  ( 0.14,  0.01,  0.01)
173:     torsion (  2.826,  -1.640,  -8.348)  (  2.826,  -1.640,  -8.344)  ( 0.01,  0.05,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.918, -17.675,   7.022)  (  0.919, -17.674,   7.022)  ( 0.01,  0.00,  0.00)
173:     electro ( -3.288,   2.621,  -1.988)  ( -3.288,   2.621,  -1.988)  ( 0.00,  0.00,  0.00)
173:  5       (-20.852,  34.625, -37.259)  (-20.847,  34.648, -37.253)  ( 0.02,  0.07,  0.01)
173:     bond    (  1.606,  57.568, -25.196)  (  1.606,  57.591, -25.191)  ( 0.02,  0.04,  0.02)
173:     angle   (-24.563,  -1.326,  -4.597)  (-24.559,  -1.326,  -4.597)  ( 0.02,  0.00,  0.01)
173:     torsion (  3.709,  -8.418, -19.008)  (  3.709,  -8.418, -19.008)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-12.625, -10.274,   7.171)  (-12.624, -10.274,   7.171)  ( 0.01,  0.00,  0.00)
173:     electro ( 11.021,  -2.925,   4.371)  ( 11.021,  -2.925,   4.371)  ( 0.00,  0.00,  0.00)
173:  6       (-387.995,  95.745, -78.809)  (-387.959,  95.780, -78.800)  ( 0.01,  0.04,  0.01)
173:     bond    (-170.923, 156.286, -74.681)  (-170.899, 156.312, -74.678)  ( 0.01,  0.02,  0.00)
173:     angle   (-219.890, -40.280, -20.904)  (-219.880, -40.272, -20.903)  ( 0.00,  0.02,  0.00)
173:     torsion ( -1.343,   3.083,   6.957)  ( -1.343,   3.084,   6.962)  ( 0.00,  0.02,  0.06)
173:     oop     ( -0.005,   0.013,   0.040)  ( -0.005,   0.013,   0.040)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.646, -22.596,   9.528)  (  3.647, -22.596,   9.528)  ( 0.03,  0.00,  0.00)
173:     electro (  0.521,  -0.761,   0.251)  (  0.521,  -0.761,   0.251)  ( 0.00,  0.00,  0.00)
173:  7       (173.034, -205.670,  88.803)  (173.075, -205.632,  88.813)  ( 0.02,  0.02,  0.01)
173:     bond    (-30.994,  23.260, -12.018)  (-30.963,  23.288, -12.014)  ( 0.10,  0.12,  0.04)
173:     angle   (209.295, -246.958, 102.767)  (209.304, -246.949, 102.766)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.848,   0.390,   3.384)  ( -0.847,   0.391,   3.389)  ( 0.01,  0.02,  0.16)
173:     oop     ( -0.064,   0.173,   0.491)  ( -0.064,   0.173,   0.491)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.122,  18.379,  -6.122)  ( -5.121,  18.379,  -6.122)  ( 0.02,  0.00,  0.00)
173:     electro (  0.767,  -0.914,   0.302)  (  0.767,  -0.914,   0.302)  ( 0.00,  0.00,  0.00)
173:  8       (176.395,  20.267,  22.152)  (176.428,  20.297,  22.159)  ( 0.02,  0.15,  0.03)
173:     bond    (126.293, -50.819,  33.089)  (126.321, -50.798,  33.091)  ( 0.02,  0.04,  0.01)
173:     angle   ( 34.480,  88.092, -24.751)  ( 34.485,  88.100, -24.750)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.863,   2.056,   6.381)  ( -0.863,   2.057,   6.384)  ( 0.00,  0.02,  0.05)
173:     oop     (  0.045,  -0.120,  -0.365)  (  0.045,  -0.120,  -0.364)  ( 0.00,  0.00,  0.02)
173:     vdw     ( 16.167, -19.067,   7.814)  ( 16.168, -19.066,   7.814)  ( 0.00,  0.00,  0.00)
173:     electro (  0.272,   0.124,  -0.016)  (  0.272,   0.124,  -0.016)  ( 0.00,  0.00,  0.00)
173:  9       (239.894, -72.401, -15.239)  (239.924, -72.370, -15.231)  ( 0.01,  0.04,  0.05)
173:     bond    (123.035, -74.312,  32.669)  (123.062, -74.290,  32.673)  ( 0.02,  0.03,  0.01)
173:     angle   (106.566, -15.151, -14.452)  (106.568, -15.143, -14.450)  ( 0.00,  0.05,  0.01)
173:     torsion (  4.251,  -6.973, -25.732)  (  4.251,  -6.973, -25.729)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.962,  16.449,  -7.787)  ( -0.962,  16.450,  -7.787)  ( 0.01,  0.00,  0.00)
173:     electro (  7.003,   7.586,   0.063)  (  7.003,   7.586,   0.063)  ( 0.00,  0.00,  0.00)
173: 10       (-213.303, 251.697, -120.074)  (-213.267, 251.729, -120.066)  ( 0.02,  0.01,  0.01)
173:     bond    (-198.774, -33.489, -14.358)  (-198.745, -33.469, -14.355)  ( 0.01,  0.06,  0.02)
173:     angle   (-15.676, 272.089, -97.794)  (-15.670, 272.098, -97.793)  ( 0.04,  0.00,  0.00)
173:     torsion ( -0.557,   1.730,   5.848)  ( -0.557,   1.730,   5.851)  ( 0.00,  0.03,  0.06)
173:     oop     (  0.191,  -0.578,  -1.569)  (  0.191,  -0.578,  -1.569)  ( 0.00,  0.00,  0.04)
173:     vdw     (  1.608,  11.677, -12.164)  (  1.609,  11.678, -12.164)  ( 0.03,  0.01,  0.00)
173:     electro ( -0.095,   0.269,  -0.036)  ( -0.095,   0.269,  -0.036)  ( 0.00,  0.00,  0.00)
173: 11       ( 91.395, -97.429,  11.923)  ( 91.433, -97.396,  11.930)  ( 0.04,  0.03,  0.06)
173:     bond    (205.126, -17.769,  30.132)  (205.153, -17.743,  30.136)  ( 0.01,  0.15,  0.01)
173:     angle   (-127.916, -87.978,  -9.803)  (-127.906, -87.973,  -9.802)  ( 0.01,  0.01,  0.01)
173:     torsion ( -0.628,   0.279,  -5.824)  ( -0.628,   0.280,  -5.821)  ( 0.01,  0.01,  0.05)
173:     oop     ( -0.028,   0.097,   0.238)  ( -0.028,   0.097,   0.238)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 14.867,   8.063,  -2.849)  ( 14.868,   8.063,  -2.849)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.027,  -0.120,   0.028)  ( -0.027,  -0.120,   0.028)  ( 0.00,  0.00,  0.00)
173: 12       ( -9.502,  -5.347,   2.856)  ( -9.497,  -5.334,   2.859)  ( 0.04,  0.24,  0.10)
173:     bond    ( -0.172,  -3.228,   1.215)  ( -0.171,  -3.216,   1.217)  ( 0.00,  0.39,  0.15)
173:     angle   (-17.373,   0.415,  -1.350)  (-17.370,   0.415,  -1.350)  ( 0.02,  0.00,  0.01)
173:     torsion ( -0.986,   2.554,   6.610)  ( -0.986,   2.555,   6.611)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.068,   0.230,   0.598)  ( -0.068,   0.230,   0.598)  ( 0.00,  0.00,  0.01)
173:     vdw     (  8.319,  -3.681,  -4.283)  (  8.320,  -3.681,  -4.283)  ( 0.01,  0.00,  0.00)
173:     electro (  0.778,  -1.637,   0.066)  (  0.778,  -1.637,   0.066)  ( 0.00,  0.00,  0.00)
173: 13       ( 35.280,  -2.720,   5.343)  ( 35.316,  -2.686,   5.352)  ( 0.10,  1.28,  0.16)
173:     bond    (-17.572,  68.840, -24.748)  (-17.546,  68.867, -24.745)  ( 0.15,  0.04,  0.01)
173:     angle   ( 53.028, -48.241,  22.126)  ( 53.038, -48.234,  22.127)  ( 0.02,  0.02,  0.00)
173:     torsion (  0.215,  -1.026,  -3.228)  (  0.215,  -1.025,  -3.224)  ( 0.00,  0.04,  0.12)
173:     oop     ( -0.098,   0.247,   0.753)  ( -0.098,   0.247,   0.754)  ( 0.00,  0.00,  0.05)
173:     vdw     (  4.357, -19.538,   9.903)  (  4.358, -19.538,   9.903)  ( 0.02,  0.00,  0.00)
173:     electro ( -4.650,  -3.002,   0.537)  ( -4.650,  -3.002,   0.537)  ( 0.00,  0.00,  0.00)
173: 14       (  4.875,  -2.048,   1.248)  (  4.878,  -2.035,   1.250)  ( 0.05,  0.64,  0.17)
173:     bond    ( -0.012,  -0.862,   0.280)  ( -0.012,  -0.849,   0.281)  ( 0.00,  1.12,  0.04)
173:     angle   ( -5.352,  -0.132,  -0.628)  ( -5.350,  -0.132,  -0.628)  ( 0.03,  0.00,  0.00)
173:     torsion ( -0.024,   0.064,   0.192)  ( -0.024,   0.064,   0.193)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.006,   0.017,   0.051)  ( -0.006,   0.017,   0.051)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.767,  -1.427,   1.446)  ( 11.768,  -1.427,   1.446)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.497,   0.293,  -0.093)  ( -1.497,   0.293,  -0.093)  ( 0.00,  0.00,  0.00)
173: 15       (-29.961, -53.287,  21.519)  (-29.949, -53.279,  21.521)  ( 0.04,  0.01,  0.01)
173:     bond    (  5.687,  -3.544,   1.953)  (  5.698,  -3.540,   1.954)  ( 0.18,  0.11,  0.06)
173:     angle   ( 17.524,  24.913,  -5.968)  ( 17.525,  24.915,  -5.968)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.283,  -0.691,  -2.078)  (  0.283,  -0.691,  -2.077)  ( 0.00,  0.01,  0.04)
173:     oop     (  0.033,  -0.079,  -0.240)  (  0.033,  -0.079,  -0.240)  ( 0.00,  0.00,  0.00)
173:     vdw     (-55.285, -74.520,  28.523)  (-55.284, -74.518,  28.523)  ( 0.00,  0.00,  0.00)
173:     electro (  1.796,   0.634,  -0.671)  (  1.796,   0.634,  -0.671)  ( 0.00,  0.00,  0.00)
173: 16       (-93.458, -78.831, 108.133)  (-93.427, -78.805, 108.145)  ( 0.03,  0.03,  0.01)
173:     bond    (-86.251, -62.985,  59.792)  (-86.227, -62.966,  59.798)  ( 0.03,  0.03,  0.01)
173:     angle   ( -0.284,  -9.354,  55.228)  ( -0.278,  -9.346,  55.233)  ( 0.19,  0.08,  0.01)
173:     torsion (  4.732,  -8.367,  -0.701)  (  4.732,  -8.367,  -0.701)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -9.001,  -3.425,  -2.168)  ( -9.000,  -3.425,  -2.168)  ( 0.00,  0.01,  0.00)
173:     electro ( -2.654,   5.299,  -4.017)  ( -2.654,   5.299,  -4.017)  ( 0.00,  0.00,  0.00)
173: 17       (-59.217,  68.094,  99.158)  (-59.200,  68.131,  99.189)  ( 0.03,  0.05,  0.03)
173:     bond    (-14.572,   8.759,  35.421)  (-14.563,   8.786,  35.442)  ( 0.06,  0.31,  0.06)
174:     angle   (  0.072,  -0.295,  -0.011)  (  0.082,  -0.291,   0.000)  ( 0.07,  0.12,  0.01)
174:     torsion ( -0.016,  -0.052,  -0.001)  ( -0.015,  -0.050,   0.000)  ( 0.00,  0.01,  0.00)
174:     vdw     (  4.757,   0.499,  -0.000)  (  4.757,   0.499,   0.000)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 35       (-552.554, 341.770, -476.173)  (-552.499, 341.837, -476.081)  ( 0.01,  0.02,  0.02)
174:     bond    (-551.537, 337.686, -473.399)  (-551.490, 337.743, -473.318)  ( 0.01,  0.02,  0.02)
174:     angle   (  0.094,   0.027,  -0.509)  (  0.101,   0.035,  -0.499)  ( 0.06,  0.02,  0.52)
174:     torsion ( -0.048,  -0.041,  -0.034)  ( -0.046,  -0.041,  -0.034)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -1.064,   4.099,  -2.230)  ( -1.064,   4.099,  -2.230)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 36       (-552.554, 341.770, 475.989)  (-552.499, 341.837, 476.081)  ( 0.01,  0.02,  0.02)
174:     bond    (-551.537, 337.686, 473.237)  (-551.490, 337.743, 473.318)  ( 0.01,  0.02,  0.02)
174:     angle   (  0.094,   0.027,   0.489)  (  0.101,   0.035,   0.499)  ( 0.06,  0.02,  0.50)
174:     torsion ( -0.048,  -0.041,   0.033)  ( -0.046,  -0.041,   0.034)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -1.064,   4.099,   2.230)  ( -1.064,   4.099,   2.230)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 37       (-423.091,  -0.090, 681.819)  (-423.070,   0.000, 681.921)  ( 0.01,  0.82,  0.01)
174:     bond    (-423.243,  -0.078, 677.006)  (-423.228,   0.000, 677.098)  ( 0.00,  0.61,  0.01)
174:     angle   ( -0.295,  -0.011,   0.072)  ( -0.291,   0.000,   0.082)  ( 0.12,  0.01,  0.07)
174:     torsion ( -0.052,  -0.001,  -0.016)  ( -0.050,   0.000,  -0.015)  ( 0.01,  0.00,  0.00)
174:     vdw     (  0.499,  -0.000,   4.757)  (  0.499,   0.000,   4.757)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 38       (-552.554, -341.903, -476.173)  (-552.499, -341.837, -476.081)  ( 0.01,  0.02,  0.02)
174:     bond    (-551.537, -337.801, -473.399)  (-551.490, -337.743, -473.318)  ( 0.01,  0.02,  0.02)
174:     angle   (  0.094,  -0.043,  -0.509)  (  0.101,  -0.035,  -0.499)  ( 0.06,  0.03,  0.52)
174:     torsion ( -0.048,   0.040,  -0.034)  ( -0.046,   0.041,  -0.034)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -1.064,  -4.099,  -2.230)  ( -1.064,  -4.099,  -2.230)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 39       (-552.554, -341.903, 475.989)  (-552.499, -341.837, 476.081)  ( 0.01,  0.02,  0.02)
174:     bond    (-551.537, -337.801, 473.237)  (-551.490, -337.743, 473.318)  ( 0.01,  0.02,  0.02)
174:     angle   (  0.094,  -0.043,   0.489)  (  0.101,  -0.035,   0.499)  ( 0.06,  0.03,  0.50)
174:     torsion ( -0.048,   0.040,   0.033)  ( -0.046,   0.041,   0.034)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -1.064,  -4.099,   2.230)  ( -1.064,  -4.099,   2.230)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 40       (211.175, -129.938, 763.591)  (211.256, -129.900, 763.686)  ( 0.04,  0.03,  0.01)
174:     bond    (208.396, -131.774, 760.485)  (208.466, -131.744, 760.571)  ( 0.03,  0.02,  0.01)
174:     angle   (  0.202,  -0.114,  -0.453)  (  0.212,  -0.107,  -0.445)  ( 0.20,  0.07,  0.38)
174:     torsion (  0.042,   0.071,  -0.043)  (  0.043,   0.072,  -0.042)  ( 0.00,  0.01,  0.00)
174:     vdw     (  2.535,   1.878,   3.603)  (  2.535,   1.878,   3.603)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 41       (-476.173, -552.554, -341.903)  (-476.081, -552.499, -341.837)  ( 0.02,  0.01,  0.02)
174:     bond    (-473.399, -551.537, -337.801)  (-473.318, -551.490, -337.743)  ( 0.02,  0.01,  0.02)
174:     angle   ( -0.509,   0.094,  -0.043)  ( -0.499,   0.101,  -0.035)  ( 0.52,  0.06,  0.03)
174:     torsion ( -0.034,  -0.048,   0.040)  ( -0.034,  -0.046,   0.041)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.230,  -1.064,  -4.099)  ( -2.230,  -1.064,  -4.099)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 42       (-763.780, 211.175, 129.863)  (-763.686, 211.256, 129.900)  ( 0.01,  0.04,  0.03)
174:     bond    (-760.656, 208.396, 131.714)  (-760.571, 208.466, 131.744)  ( 0.01,  0.03,  0.02)
174:     angle   (  0.436,   0.202,   0.101)  (  0.445,   0.212,   0.107)  ( 0.37,  0.20,  0.06)
174:     torsion (  0.042,   0.042,  -0.074)  (  0.042,   0.043,  -0.072)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -3.603,   2.535,  -1.879)  ( -3.603,   2.535,  -1.878)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 43       (475.989, -552.554, -341.903)  (476.081, -552.499, -341.837)  ( 0.02,  0.01,  0.02)
174:     bond    (473.237, -551.537, -337.801)  (473.318, -551.490, -337.743)  ( 0.02,  0.01,  0.02)
174:     angle   (  0.489,   0.094,  -0.043)  (  0.499,   0.101,  -0.035)  ( 0.50,  0.06,  0.03)
174:     torsion (  0.033,  -0.048,   0.040)  (  0.034,  -0.046,   0.041)  ( 0.00,  0.01,  0.00)
174:     vdw     (  2.230,  -1.064,  -4.099)  (  2.230,  -1.064,  -4.099)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 44       (129.863, 763.591, -211.337)  (129.900, 763.686, -211.256)  ( 0.03,  0.01,  0.04)
174:     bond    (131.714, 760.485, -208.536)  (131.744, 760.571, -208.466)  ( 0.02,  0.01,  0.03)
174:     angle   (  0.101,  -0.453,  -0.222)  (  0.107,  -0.445,  -0.212)  ( 0.06,  0.38,  0.22)
174:     torsion ( -0.074,  -0.043,  -0.044)  ( -0.072,  -0.042,  -0.043)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -1.879,   3.603,  -2.535)  ( -1.878,   3.603,  -2.535)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 45       (-129.938, 763.591, -211.337)  (-129.900, 763.686, -211.256)  ( 0.03,  0.01,  0.04)
174:     bond    (-131.774, 760.485, -208.536)  (-131.744, 760.571, -208.466)  ( 0.02,  0.01,  0.03)
174:     angle   ( -0.114,  -0.453,  -0.222)  ( -0.107,  -0.445,  -0.212)  ( 0.07,  0.38,  0.22)
174:     torsion (  0.071,  -0.043,  -0.044)  (  0.072,  -0.042,  -0.043)  ( 0.01,  0.00,  0.00)
174:     vdw     (  1.878,   3.603,  -2.535)  (  1.878,   3.603,  -2.535)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 46       (129.863, -763.780, -211.337)  (129.900, -763.686, -211.256)  ( 0.03,  0.01,  0.04)
174:     bond    (131.714, -760.656, -208.536)  (131.744, -760.571, -208.466)  ( 0.02,  0.01,  0.03)
174:     angle   (  0.101,   0.436,  -0.222)  (  0.107,   0.445,  -0.212)  ( 0.06,  0.37,  0.22)
174:     torsion ( -0.074,   0.042,  -0.044)  ( -0.072,   0.042,  -0.043)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -1.879,  -3.603,  -2.535)  ( -1.878,  -3.603,  -2.535)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 47       (-341.903, -476.173, 552.444)  (-341.837, -476.081, 552.499)  ( 0.02,  0.02,  0.01)
174:     bond    (-337.801, -473.399, 551.443)  (-337.743, -473.318, 551.490)  ( 0.02,  0.02,  0.01)
174:     angle   ( -0.043,  -0.509,  -0.107)  ( -0.035,  -0.499,  -0.101)  ( 0.03,  0.52,  0.07)
174:     torsion (  0.040,  -0.034,   0.045)  (  0.041,  -0.034,   0.046)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -4.099,  -2.230,   1.064)  ( -4.099,  -2.230,   1.064)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 48       (-423.091,  -0.090, -682.022)  (-423.070,  -0.000, -681.921)  ( 0.01,  0.82,  0.01)
174:     bond    (-423.243,  -0.078, -677.189)  (-423.228,   0.000, -677.098)  ( 0.00,  0.61,  0.01)
174:     angle   ( -0.295,  -0.011,  -0.091)  ( -0.291,   0.000,  -0.082)  ( 0.12,  0.01,  0.09)
174:     torsion ( -0.052,  -0.001,   0.015)  ( -0.050,  -0.000,   0.015)  ( 0.01,  0.00,  0.00)
174:     vdw     (  0.499,  -0.000,  -4.757)  (  0.499,   0.000,  -4.757)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 49       (211.175, 129.863, 763.591)  (211.256, 129.900, 763.686)  ( 0.04,  0.03,  0.01)
174:     bond    (208.396, 131.714, 760.485)  (208.466, 131.744, 760.571)  ( 0.03,  0.02,  0.01)
174:     angle   (  0.202,   0.101,  -0.453)  (  0.212,   0.107,  -0.445)  ( 0.20,  0.06,  0.38)
174:     torsion (  0.042,  -0.074,  -0.043)  (  0.043,  -0.072,  -0.042)  ( 0.00,  0.01,  0.00)
174:     vdw     (  2.535,  -1.879,   3.603)  (  2.535,  -1.878,   3.603)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 50       (-476.173, 552.444, -341.903)  (-476.081, 552.499, -341.837)  ( 0.02,  0.01,  0.02)
174:     bond    (-473.399, 551.443, -337.801)  (-473.318, 551.490, -337.743)  ( 0.02,  0.01,  0.02)
174:     angle   ( -0.509,  -0.107,  -0.043)  ( -0.499,  -0.101,  -0.035)  ( 0.52,  0.07,  0.03)
174:     torsion ( -0.034,   0.045,   0.040)  ( -0.034,   0.046,   0.041)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.230,   1.064,  -4.099)  ( -2.230,   1.064,  -4.099)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 51       (-129.938, -763.780, -211.337)  (-129.900, -763.686, -211.256)  ( 0.03,  0.01,  0.04)
174:     bond    (-131.774, -760.656, -208.536)  (-131.744, -760.571, -208.466)  ( 0.02,  0.01,  0.03)
174:     angle   ( -0.114,   0.436,  -0.222)  ( -0.107,   0.445,  -0.212)  ( 0.07,  0.37,  0.22)
174:     torsion (  0.071,   0.042,  -0.044)  (  0.072,   0.042,  -0.043)  ( 0.01,  0.00,  0.00)
174:     vdw     (  1.878,  -3.603,  -2.535)  (  1.878,  -3.603,  -2.535)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 52       (341.770, -476.173, 552.444)  (341.837, -476.081, 552.499)  ( 0.02,  0.02,  0.01)
174:     bond    (337.686, -473.399, 551.443)  (337.743, -473.318, 551.490)  ( 0.02,  0.02,  0.01)
174:     angle   (  0.027,  -0.509,  -0.107)  (  0.035,  -0.499,  -0.101)  ( 0.02,  0.52,  0.07)
174:     torsion ( -0.041,  -0.034,   0.045)  ( -0.041,  -0.034,   0.046)  ( 0.00,  0.00,  0.01)
174:     vdw     (  4.099,  -2.230,   1.064)  (  4.099,  -2.230,   1.064)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 53       (763.591, 211.175, 129.863)  (763.686, 211.256, 129.900)  ( 0.01,  0.04,  0.03)
174:     bond    (760.485, 208.396, 131.714)  (760.571, 208.466, 131.744)  ( 0.01,  0.03,  0.02)
174:     angle   ( -0.453,   0.202,   0.101)  ( -0.445,   0.212,   0.107)  ( 0.38,  0.20,  0.06)
174:     torsion ( -0.043,   0.042,  -0.074)  ( -0.042,   0.043,  -0.072)  ( 0.00,  0.00,  0.01)
174:     vdw     (  3.603,   2.535,  -1.879)  (  3.603,   2.535,  -1.878)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 54       ( -0.090, 681.819, 423.048)  (  0.000, 681.921, 423.070)  ( 0.82,  0.01,  0.01)
174:     bond    ( -0.078, 677.006, 423.212)  (  0.000, 677.098, 423.228)  ( 0.61,  0.01,  0.00)
174:     angle   ( -0.011,   0.072,   0.287)  (  0.000,   0.082,   0.291)  ( 0.01,  0.07,  0.11)
174:     torsion ( -0.001,  -0.016,   0.048)  (  0.000,  -0.015,   0.050)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.000,   4.757,  -0.499)  ( -0.000,   4.757,  -0.499)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 55       (341.770, 475.989, 552.444)  (341.837, 476.081, 552.499)  ( 0.02,  0.02,  0.01)
174:     bond    (337.686, 473.237, 551.443)  (337.743, 473.318, 551.490)  ( 0.02,  0.02,  0.01)
174:     angle   (  0.027,   0.489,  -0.107)  (  0.035,   0.499,  -0.101)  ( 0.02,  0.50,  0.07)
174:     torsion ( -0.041,   0.033,   0.045)  ( -0.041,   0.034,   0.046)  ( 0.00,  0.00,  0.01)
174:     vdw     (  4.099,   2.230,   1.064)  (  4.099,   2.230,   1.064)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 56       (-341.903, 475.989, 552.444)  (-341.837, 476.081, 552.499)  ( 0.02,  0.02,  0.01)
174:     bond    (-337.801, 473.237, 551.443)  (-337.743, 473.318, 551.490)  ( 0.02,  0.02,  0.01)
174:     angle   ( -0.043,   0.489,  -0.107)  ( -0.035,   0.499,  -0.101)  ( 0.03,  0.50,  0.07)
174:     torsion (  0.040,   0.033,   0.045)  (  0.041,   0.034,   0.046)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -4.099,   2.230,   1.064)  ( -4.099,   2.230,   1.064)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 57       (475.989, 552.444, -341.903)  (476.081, 552.499, -341.837)  ( 0.02,  0.01,  0.02)
174:     bond    (473.237, 551.443, -337.801)  (473.318, 551.490, -337.743)  ( 0.02,  0.01,  0.02)
174:     angle   (  0.489,  -0.107,  -0.043)  (  0.499,  -0.101,  -0.035)  ( 0.50,  0.07,  0.03)
174:     torsion (  0.033,   0.045,   0.040)  (  0.034,   0.046,   0.041)  ( 0.00,  0.01,  0.00)
174:     vdw     (  2.230,   1.064,  -4.099)  (  2.230,   1.064,  -4.099)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 58       (-763.780, -211.337, 129.863)  (-763.686, -211.256, 129.900)  ( 0.01,  0.04,  0.03)
174:     bond    (-760.656, -208.536, 131.714)  (-760.571, -208.466, 131.744)  ( 0.01,  0.03,  0.02)
174:     angle   (  0.436,  -0.222,   0.101)  (  0.445,  -0.212,   0.107)  ( 0.37,  0.22,  0.06)
174:     torsion (  0.042,  -0.044,  -0.074)  (  0.042,  -0.043,  -0.072)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -3.603,  -2.535,  -1.879)  ( -3.603,  -2.535,  -1.878)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 59       (763.591, -211.337, 129.863)  (763.686, -211.256, 129.900)  ( 0.01,  0.04,  0.03)
174:     bond    (760.485, -208.536, 131.714)  (760.571, -208.466, 131.744)  ( 0.01,  0.03,  0.02)
174:     angle   ( -0.453,  -0.222,   0.101)  ( -0.445,  -0.212,   0.107)  ( 0.38,  0.22,  0.06)
174:     torsion ( -0.043,  -0.044,  -0.074)  ( -0.042,  -0.043,  -0.072)  ( 0.00,  0.00,  0.01)
174:     vdw     (  3.603,  -2.535,  -1.879)  (  3.603,  -2.535,  -1.878)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 60       ( -0.090, -682.022, 423.048)  (  0.000, -681.921, 423.070)  ( 0.82,  0.01,  0.01)
174:     bond    ( -0.078, -677.189, 423.212)  (  0.000, -677.098, 423.228)  ( 0.61,  0.01,  0.00)
174:     angle   ( -0.011,  -0.091,   0.287)  (  0.000,  -0.082,   0.291)  ( 0.01,  0.09,  0.11)
174:     torsion ( -0.001,   0.015,   0.048)  (  0.000,   0.015,   0.050)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.000,  -4.757,  -0.499)  (  0.000,  -4.757,  -0.499)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 18 # gradients 
174: ok 19 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (-26.365,  -6.735,  -0.035)  (-26.271,  -6.630,  -0.032)  ( 0.36,  1.56,  0.01)
174:     bond    (-51.407, -21.524,  -0.453)  (-51.328, -21.431,  -0.453)  ( 0.15,  0.43,  0.00)
174:     angle   ( 28.516,  23.010,   2.629)  ( 28.532,  23.022,   2.628)  ( 0.05,  0.05,  0.02)
174:     torsion (  0.028,   0.027,  -2.311)  (  0.028,   0.027,  -2.306)  ( 0.00,  0.00,  0.18)
174:     vdw     ( -3.503,  -8.248,   0.099)  ( -3.503,  -8.248,   0.099)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       ( 42.577,  18.173,   0.053)  ( 42.671,  18.274,   0.057)  ( 0.22,  0.56,  0.02)
174:     bond    ( 79.259, -24.256,  -0.982)  ( 79.338, -24.166,  -0.981)  ( 0.10,  0.37,  0.03)
174:     angle   (-31.061,  47.195,   3.394)  (-31.046,  47.207,   3.394)  ( 0.05,  0.02,  0.01)
174:     torsion ( -0.034,   0.018,  -1.739)  ( -0.034,   0.018,  -1.736)  ( 0.00,  0.00,  0.20)
174:     vdw     ( -5.588,  -4.785,  -0.620)  ( -5.587,  -4.784,  -0.620)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       (1481.239, -10.907, -17.547)  (1481.306, -10.812, -17.538)  ( 0.00,  0.88,  0.05)
174:     bond    (1482.386,  49.293, -17.062)  (1482.436,  49.379, -17.056)  ( 0.00,  0.17,  0.03)
174:     angle   ( -3.766, -60.057,  -0.119)  ( -3.750, -60.047,  -0.117)  ( 0.43,  0.02,  0.02)
174:     torsion (  0.015,  -0.012,  -0.359)  (  0.015,  -0.012,  -0.357)  ( 0.00,  0.00,  0.09)
174:     vdw     (  2.605,  -0.132,  -0.008)  (  2.605,  -0.132,  -0.008)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (218.197, 351.442,  -5.584)  (218.285, 351.514,  -5.579)  ( 0.04,  0.02,  0.09)
174:     bond    (156.798, 315.167,  -4.502)  (156.875, 315.223,  -4.500)  ( 0.05,  0.02,  0.06)
174:     angle   ( 55.844,  32.080,  -0.601)  ( 55.856,  32.094,  -0.601)  ( 0.02,  0.05,  0.00)
174:     torsion ( -0.002,  -0.005,   0.943)  ( -0.002,  -0.005,   0.946)  ( 0.00,  0.00,  0.24)
174:     vdw     (  5.556,   4.201,  -1.424)  (  5.556,   4.201,  -1.424)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-203.363, -391.514,  -1.242)  (-203.352, -391.496,  -1.239)  ( 0.01,  0.00,  0.19)
174:     bond    (-224.009, -386.559,   5.182)  (-224.002, -386.542,   5.184)  ( 0.00,  0.00,  0.04)
174:     angle   ( -4.111,   2.380,   0.062)  ( -4.107,   2.381,   0.062)  ( 0.08,  0.05,  0.00)
174:     torsion (  0.004,   0.005,   0.542)  (  0.004,   0.005,   0.542)  ( 0.00,  0.00,  0.03)
174:     vdw     ( 24.753,  -7.340,  -7.027)  ( 24.754,  -7.340,  -7.027)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (-745.376, 1325.888, -16.743)  (-745.286, 1325.961, -16.734)  ( 0.01,  0.01,  0.06)
174:     bond    (-680.841, 1288.888, -17.462)  (-680.761, 1288.945, -17.456)  ( 0.01,  0.00,  0.03)
174:     angle   (-62.286,  33.325,   2.422)  (-62.276,  33.341,   2.424)  ( 0.02,  0.05,  0.06)
174:     torsion ( -0.001,  -0.005,  -1.701)  ( -0.001,  -0.005,  -1.699)  ( 0.00,  0.00,  0.14)
174:     vdw     ( -2.248,   3.679,  -0.003)  ( -2.248,   3.679,  -0.003)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       (-379.576,  -9.468,  -4.080)  (-379.510,  -9.372,  -4.075)  ( 0.02,  1.02,  0.12)
174:     bond    (-388.385,  67.010,  -2.879)  (-388.333,  67.095,  -2.877)  ( 0.01,  0.13,  0.08)
174:     angle   (  9.372, -71.185,  -1.456)  (  9.385, -71.173,  -1.456)  ( 0.14,  0.02,  0.03)
174:     torsion ( -0.012,  -0.012,   1.120)  ( -0.012,  -0.012,   1.123)  ( 0.00,  0.00,  0.27)
174:     vdw     ( -0.551,  -5.281,  -0.866)  ( -0.550,  -5.281,  -0.866)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (437.367, -12.590,   0.525)  (437.388, -12.583,   0.527)  ( 0.00,  0.06,  0.12)
174:     bond    (440.100,  -5.846,   2.920)  (440.121,  -5.844,   2.922)  ( 0.00,  0.03,  0.06)
174:     angle   (  0.050,   3.730,  -0.126)  (  0.050,   3.734,  -0.126)  ( 0.00,  0.12,  0.00)
174:     torsion ( -0.001,   0.001,   0.156)  ( -0.001,   0.001,   0.157)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -2.782, -10.475,  -2.426)  ( -2.782, -10.474,  -2.426)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       (-1298.501, -414.353, -25.601)  (-1298.426, -414.267, -25.591)  ( 0.01,  0.02,  0.04)
174:     bond    (-1389.179, -512.381, -26.576)  (-1389.117, -512.307, -26.570)  ( 0.00,  0.01,  0.02)
174:     angle   ( 90.035,  97.583,   1.312)  ( 90.048,  97.595,   1.314)  ( 0.02,  0.01,  0.15)
174:     torsion ( -0.002,   0.019,  -0.340)  ( -0.002,   0.019,  -0.338)  ( 0.00,  0.00,  0.08)
174:     vdw     (  0.645,   0.427,   0.003)  (  0.645,   0.427,   0.003)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 10       (-172.645,  75.624,   0.228)  (-172.591,  75.695,   0.232)  ( 0.03,  0.09,  0.08)
174:     bond    (-98.169,   9.837,   0.225)  (-98.126,   9.903,   0.225)  ( 0.04,  0.68,  0.01)
174:     angle   (-68.504,  69.057,  -0.619)  (-68.494,  69.061,  -0.617)  ( 0.02,  0.01,  0.11)
174:     torsion (  0.018,  -0.014,   1.257)  (  0.018,  -0.014,   1.258)  ( 0.00,  0.00,  0.09)
174:     vdw     ( -5.989,  -3.255,  -0.635)  ( -5.989,  -3.255,  -0.635)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       ( -1.370, -112.984,  -1.408)  ( -1.281, -112.907,  -1.405)  ( 6.45,  0.07,  0.18)
174:     bond    ( 10.704,  61.334,   0.663)  ( 10.779,  61.399,   0.664)  ( 0.70,  0.10,  0.05)
174:     angle   (-16.150, -176.774,  -2.413)  (-16.137, -176.761,  -2.413)  ( 0.08,  0.01,  0.01)
174:     torsion ( -0.004,  -0.005,   0.241)  ( -0.004,  -0.005,   0.243)  ( 0.00,  0.00,  0.05)
174:     vdw     (  4.081,   2.460,   0.102)  (  4.081,   2.460,   0.102)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (1511.671, 514.801,  32.839)  (1511.714, 514.855,  32.892)  ( 0.00,  0.01,  0.16)
174:     bond    (1515.153, 517.997,  31.429)  (1515.184, 518.038,  31.470)  ( 0.00,  0.01,  0.13)
174:     angle   ( -2.913,  -1.712,   0.561)  ( -2.901,  -1.699,   0.572)  ( 0.43,  0.76,  0.58)
174:     torsion ( -0.009,  -0.018,   0.871)  ( -0.009,  -0.018,   0.871)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -0.560,  -1.465,  -0.022)  ( -0.560,  -1.465,  -0.022)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       (-1597.410, -19.629,  16.286)  (-1597.368, -19.574,  16.339)  ( 0.00,  0.28,  0.32)
174:     bond    (-1606.438, -16.395,  16.722)  (-1606.408, -16.353,  16.764)  ( 0.00,  0.25,  0.25)
174:     angle   (  6.182,   1.035,  -0.764)  (  6.194,   1.048,  -0.753)  ( 0.20,  1.27,  0.80)
174:     torsion (  0.004,   0.001,   0.323)  (  0.004,   0.001,   0.323)  ( 0.00,  0.00,  0.01)
174:     vdw     (  2.842,  -4.270,   0.006)  (  2.843,  -4.270,   0.006)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 14       (767.883, -1400.424,  14.698)  (767.935, -1400.378,  14.751)  ( 0.01,  0.00,  0.36)
174:     bond    (773.726, -1413.341,  15.101)  (773.765, -1413.308,  15.143)  ( 0.01,  0.00,  0.28)
174:     angle   ( -2.491,   8.410,  -1.096)  ( -2.478,   8.422,  -1.085)  ( 0.52,  0.15,  0.96)
174:     torsion ( -0.003,   0.007,   0.696)  ( -0.003,   0.007,   0.696)  ( 0.00,  0.00,  0.02)
174:     vdw     ( -3.349,   4.500,  -0.003)  ( -3.348,   4.501,  -0.003)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 15       (  2.573,  35.827,   0.685)  (  2.579,  35.856,   0.685)  ( 0.23,  0.08,  0.03)
174:     bond    ( -0.167,  36.326,   0.800)  ( -0.167,  36.355,   0.800)  ( 0.00,  0.08,  0.01)
174:     angle   ( -1.606,   0.002,  -0.444)  ( -1.600,   0.002,  -0.444)  ( 0.35,  0.00,  0.01)
174:     torsion (  0.001,  -0.006,   0.275)  (  0.001,  -0.006,   0.276)  ( 0.00,  0.00,  0.01)
174:     vdw     (  4.345,  -0.496,   0.053)  (  4.345,  -0.496,   0.053)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       ( -5.358, -55.102,  -3.092)  ( -5.354, -55.074,  -3.088)  ( 0.06,  0.05,  0.13)
174:     bond    ( -0.905, -54.774,  -2.312)  ( -0.905, -54.746,  -2.313)  ( 0.02,  0.05,  0.01)
174:     angle   (  2.713,  -0.017,  -0.653)  (  2.717,  -0.017,  -0.649)  ( 0.12,  0.00,  0.27)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -7.166,  -0.310,  -0.127)  ( -7.166,  -0.310,  -0.127)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 17       (-23.805,  13.685,  42.227)  (-23.797,  13.691,  42.247)  ( 0.04,  0.04,  0.05)
174:     bond    (-23.472,  15.259,  41.413)  (-23.466,  15.262,  41.432)  ( 0.03,  0.02,  0.05)
174:     angle   (  0.354,  -0.124,   0.245)  (  0.356,  -0.120,   0.246)  ( 0.09,  0.04,  0.03)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.687,  -1.450,   0.570)  ( -0.687,  -1.450,   0.570)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       (-26.013,  17.980, -45.828)  (-26.004,  17.987, -45.809)  ( 0.03,  0.04,  0.04)
174:     bond    (-25.679,  20.707, -44.275)  (-25.673,  20.711, -44.257)  ( 0.02,  0.02,  0.04)
174:     angle   (  0.650,  -0.562,  -0.642)  (  0.653,  -0.559,  -0.640)  ( 0.17,  0.19,  0.09)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.984,  -2.165,  -0.912)  ( -0.984,  -2.165,  -0.912)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       ( 18.649,  13.540, -51.805)  ( 18.654,  13.545, -51.781)  ( 0.03,  0.04,  0.05)
174:     bond    ( 17.904,  14.252, -51.223)  ( 17.907,  14.254, -51.200)  ( 0.01,  0.01,  0.05)
174:     angle   ( -0.297,   0.111,  -0.072)  ( -0.295,   0.115,  -0.071)  ( 0.09,  0.04,  0.00)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.042,  -0.823,  -0.511)  (  1.042,  -0.823,  -0.511)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       ( 26.856, -48.497,  14.020)  ( 26.862, -48.474,  14.025)  ( 0.02,  0.05,  0.04)
174:     bond    ( 19.705, -50.862,  13.120)  ( 19.708, -50.840,  13.122)  ( 0.02,  0.04,  0.01)
174:     angle   ( -4.217,  -1.717,  -0.326)  ( -4.214,  -1.717,  -0.322)  ( 0.07,  0.04,  0.13)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 11.368,   4.083,   1.226)  ( 11.368,   4.083,   1.226)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       ( 26.291,  34.034,  41.064)  ( 26.297,  34.049,  41.078)  ( 0.02,  0.04,  0.04)
174:     bond    ( 19.193,  38.169,  38.169)  ( 19.196,  38.181,  38.181)  ( 0.01,  0.03,  0.03)
174:     angle   ( -1.707,   1.023,  -0.171)  ( -1.704,   1.026,  -0.169)  ( 0.17,  0.22,  0.04)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  8.805,  -5.158,   3.066)  (  8.806,  -5.158,   3.066)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       (-45.738,   8.622,  38.333)  (-45.719,   8.625,  38.345)  ( 0.04,  0.04,  0.03)
174:     bond    (-45.865,  -2.697,  34.786)  (-45.848,  -2.697,  34.796)  ( 0.04,  0.01,  0.03)
174:     angle   ( -0.123,  -3.161,  -0.408)  ( -0.122,  -3.158,  -0.406)  ( 0.02,  0.11,  0.11)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.251,  14.480,   3.955)  (  0.251,  14.480,   3.955)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       (  7.676,  59.393,  23.469)  (  7.690,  59.410,  23.476)  ( 0.17,  0.03,  0.03)
174:     bond    ( 35.496,  42.507,  18.313)  ( 35.506,  42.521,  18.315)  ( 0.03,  0.03,  0.01)
174:     angle   (  5.136,  -3.971,  -0.748)  (  5.138,  -3.970,  -0.744)  ( 0.04,  0.04,  0.28)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (-32.955,  20.858,   5.905)  (-32.954,  20.858,   5.905)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       (-16.429,  12.100, -51.807)  (-16.423,  12.105, -51.782)  ( 0.04,  0.04,  0.05)
174:     bond    (-16.682,  10.967, -51.378)  (-16.680,  10.968, -51.354)  ( 0.01,  0.01,  0.05)
174:     angle   (  0.190,   0.171,  -0.026)  (  0.194,   0.174,  -0.026)  ( 0.07,  0.06,  0.00)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.063,   0.962,  -0.403)  (  0.063,   0.962,  -0.403)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 20 # gradients 
174: ok 21 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (-43.157, -57.858, -15.760)  (-43.113, -57.813, -15.714)  ( 0.10,  0.08,  0.29)
173:     angle   (-30.431,  50.753,  66.157)  (-30.424,  50.763,  66.167)  ( 0.02,  0.02,  0.01)
173:     torsion (  0.561,  -2.636,   2.948)  (  0.561,  -2.636,   2.949)  ( 0.02,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-14.500,  10.680,  -5.146)  (-14.499,  10.680,  -5.146)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.274,   0.538,  -0.223)  ( -0.274,   0.538,  -0.223)  ( 0.00,  0.00,  0.00)
173: 18       ( 18.743,   7.225,   1.367)  ( 18.754,   7.232,   1.371)  ( 0.06,  0.09,  0.24)
173:     bond    (  9.683,  -6.296,   4.710)  (  9.691,  -6.292,   4.713)  ( 0.09,  0.06,  0.05)
173:     angle   (  5.877,   8.285,  -1.025)  (  5.878,   8.287,  -1.024)  ( 0.02,  0.03,  0.02)
173:     torsion ( -0.696,   0.896,   2.626)  ( -0.696,   0.896,   2.627)  ( 0.00,  0.01,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  9.432,   9.448,  -6.296)  (  9.433,   9.448,  -6.296)  ( 0.00,  0.01,  0.00)
173:     electro ( -5.553,  -5.108,   1.352)  ( -5.553,  -5.108,   1.352)  ( 0.00,  0.00,  0.00)
173: 19       ( 31.262,  -3.433, -23.037)  ( 31.290,  -3.405, -23.010)  ( 0.09,  0.81,  0.12)
173:     bond    ( 16.659, -41.413, -39.745)  ( 16.677, -41.394, -39.726)  ( 0.11,  0.05,  0.05)
173:     angle   ( 28.813,  16.760,   6.269)  ( 28.822,  16.768,   6.277)  ( 0.03,  0.05,  0.12)
173:     torsion ( -4.337,   6.828,  -5.077)  ( -4.337,   6.828,  -5.077)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -9.694,  14.431,  15.138)  ( -9.693,  14.431,  15.138)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.179,  -0.038,   0.379)  ( -0.179,  -0.038,   0.379)  ( 0.00,  0.00,  0.00)
173: 20       ( 34.360,  72.561, -31.770)  ( 34.388,  72.590, -31.743)  ( 0.08,  0.04,  0.08)
173:     bond    (-32.639,  38.555,  -3.353)  (-32.621,  38.574,  -3.334)  ( 0.06,  0.05,  0.56)
173:     angle   ( 15.456,   2.881,  -6.003)  ( 15.465,   2.891,  -5.996)  ( 0.06,  0.32,  0.13)
173:     torsion (  1.494,  -0.570,   7.900)  (  1.494,  -0.570,   7.900)  ( 0.01,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 50.194,  32.876, -30.506)  ( 50.194,  32.877, -30.505)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.145,  -1.181,   0.192)  ( -0.145,  -1.181,   0.192)  ( 0.00,  0.00,  0.00)
173: 21       (  1.450, -13.355,  -5.871)  (  1.461, -13.349,  -5.869)  ( 0.73,  0.05,  0.04)
173:     bond    (  6.671,  -4.488,   0.587)  (  6.681,  -4.484,   0.587)  ( 0.14,  0.10,  0.01)
173:     angle   (-10.824, -17.938, -13.829)  (-10.823, -17.936, -13.827)  ( 0.01,  0.01,  0.02)
173:     torsion (  0.092,   0.258,   0.924)  (  0.092,   0.258,   0.924)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.370,   8.090,   5.502)  (  5.371,   8.090,   5.502)  ( 0.00,  0.00,  0.00)
173:     electro (  0.140,   0.723,   0.945)  (  0.140,   0.723,   0.945)  ( 0.00,  0.00,  0.00)
173: 22       (  5.351,   0.480, -12.277)  (  5.353,   0.484, -12.264)  ( 0.04,  0.18,  0.11)
173:     bond    ( -1.188,   4.315, -13.803)  ( -1.188,   4.316, -13.790)  ( 0.01,  0.03,  0.09)
173:     angle   (  6.627,  -4.394,  -1.946)  (  6.629,  -4.392,  -1.946)  ( 0.03,  0.05,  0.01)
173:     torsion (  0.961,  -1.516,  -0.557)  (  0.961,  -1.516,  -0.557)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.463,   1.716,   3.044)  ( -1.463,   1.716,   3.044)  ( 0.00,  0.00,  0.00)
173:     electro (  0.414,   0.359,   0.986)  (  0.414,   0.359,   0.986)  ( 0.00,  0.00,  0.00)
173: 23       ( -9.348,  66.052,   6.198)  ( -9.321,  66.080,   6.225)  ( 0.29,  0.04,  0.42)
173:     bond    (-15.976, -14.308,   0.725)  (-15.958, -14.290,   0.743)  ( 0.12,  0.12,  1.33)
173:     angle   (  7.263,  52.187,   0.459)  (  7.272,  52.196,   0.467)  ( 0.12,  0.02,  0.34)
173:     torsion (  1.357,   4.220,  -1.018)  (  1.357,   4.220,  -1.017)  ( 0.01,  0.01,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.052,  23.747,   5.943)  ( -2.052,  23.748,   5.943)  ( 0.00,  0.00,  0.00)
173:     electro (  0.060,   0.205,   0.089)  (  0.060,   0.205,   0.089)  ( 0.00,  0.00,  0.00)
173: 24       ( -3.458,   6.379,   4.175)  ( -3.455,   6.388,   4.182)  ( 0.08,  0.14,  0.18)
173:     bond    (  0.248,   7.426,   6.618)  (  0.248,   7.434,   6.624)  ( 0.00,  0.11,  0.09)
173:     angle   (-12.472,  -2.222,   2.957)  (-12.469,  -2.221,   2.959)  ( 0.02,  0.04,  0.04)
173:     torsion (  0.579,  -0.504,   0.544)  (  0.579,  -0.504,   0.544)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.907,   3.337,  -6.670)  (  7.908,   3.337,  -6.670)  ( 0.00,  0.00,  0.00)
173:     electro (  0.279,  -1.658,   0.725)  (  0.279,  -1.658,   0.725)  ( 0.00,  0.00,  0.00)
173: 25       ( 47.600, -21.511, -33.250)  ( 47.628, -21.483, -33.223)  ( 0.06,  0.13,  0.08)
173:     bond    (-16.280,  -4.390,   5.193)  (-16.262,  -4.372,   5.211)  ( 0.11,  0.42,  0.35)
173:     angle   ( 40.624,  -7.126, -26.096)  ( 40.633,  -7.117, -26.088)  ( 0.02,  0.12,  0.03)
173:     torsion (  3.611,   0.746,  -2.747)  (  3.611,   0.746,  -2.747)  ( 0.01,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 19.431, -10.560,  -9.544)  ( 19.431, -10.560,  -9.543)  ( 0.00,  0.00,  0.00)
173:     electro (  0.215,  -0.181,  -0.055)  (  0.215,  -0.181,  -0.055)  ( 0.00,  0.00,  0.00)
173: 26       (  5.897,  17.008,  -6.176)  (  5.900,  17.013,  -6.164)  ( 0.06,  0.03,  0.19)
173:     bond    ( -2.112,   4.629, -11.095)  ( -2.112,   4.631, -11.083)  ( 0.02,  0.04,  0.10)
173:     angle   (-11.054,  -0.117,   2.057)  (-11.051,  -0.115,   2.058)  ( 0.02,  0.02,  0.02)
173:     torsion ( -0.718,   1.139,   0.613)  ( -0.718,   1.140,   0.613)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 19.610,  13.361,   1.940)  ( 19.610,  13.361,   1.940)  ( 0.00,  0.00,  0.00)
173:     electro (  0.171,  -2.004,   0.309)  (  0.171,  -2.004,   0.309)  ( 0.00,  0.00,  0.00)
173: 27       (-46.185, -30.348, -10.099)  (-46.161, -30.324, -10.085)  ( 0.05,  0.08,  0.13)
173:     bond    ( -9.157,  -5.246, -10.804)  ( -9.139,  -5.228, -10.797)  ( 0.20,  0.34,  0.06)
173:     angle   (-45.617, -31.019,  -1.758)  (-45.611, -31.014,  -1.751)  ( 0.01,  0.02,  0.35)
173:     torsion ( -5.884,  -3.666,  -0.502)  ( -5.884,  -3.666,  -0.501)  ( 0.00,  0.01,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 12.543,   7.362,   1.613)  ( 12.543,   7.362,   1.613)  ( 0.00,  0.00,  0.00)
173:     electro (  1.930,   2.221,   1.352)  (  1.930,   2.221,   1.352)  ( 0.00,  0.00,  0.00)
173: 28       ( -0.909, -12.252,   5.767)  ( -0.906, -12.248,   5.779)  ( 0.28,  0.03,  0.21)
173:     bond    (  1.926,  -4.995,  11.194)  (  1.926,  -4.992,  11.206)  ( 0.02,  0.05,  0.10)
173:     angle   ( -0.582,  -7.258,  -3.133)  ( -0.579,  -7.256,  -3.133)  ( 0.15,  0.02,  0.01)
173:     torsion ( -0.574,  -4.249,  -1.795)  ( -0.574,  -4.249,  -1.795)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.864,   3.876,  -0.368)  ( -0.864,   3.876,  -0.368)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.815,   0.373,  -0.131)  ( -0.815,   0.373,  -0.131)  ( 0.00,  0.00,  0.00)
173: 29       ( -1.215,  -6.423,  -1.688)  ( -1.213,  -6.414,  -1.680)  ( 0.23,  0.14,  0.43)
173:     bond    ( -0.358,  -5.027,  -4.340)  ( -0.358,  -5.019,  -4.334)  ( 0.00,  0.16,  0.14)
173:     angle   ( -0.867,  -3.780,   4.445)  ( -0.864,  -3.779,   4.447)  ( 0.23,  0.02,  0.03)
173:     torsion (  0.009,   1.724,  -1.997)  (  0.009,   1.724,  -1.997)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.354,   0.043,  -0.205)  (  0.354,   0.043,  -0.205)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.353,   0.616,   0.409)  ( -0.353,   0.616,   0.409)  ( 0.00,  0.00,  0.00)
173: 30       ( -6.845,   0.913,   1.976)  ( -6.834,   0.918,   1.978)  ( 0.16,  0.52,  0.12)
173:     bond    ( -5.928,   3.515,  -0.385)  ( -5.918,   3.519,  -0.385)  ( 0.17,  0.10,  0.00)
173:     angle   ( -1.889,  -2.662,   4.706)  ( -1.888,  -2.660,   4.708)  ( 0.03,  0.07,  0.05)
173:     torsion (  0.545,   0.691,  -2.056)  (  0.545,   0.691,  -2.056)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.142,   0.376,  -0.048)  (  0.142,   0.376,  -0.048)  ( 0.00,  0.00,  0.00)
173:     electro (  0.286,  -1.007,  -0.241)  (  0.286,  -1.007,  -0.241)  ( 0.00,  0.00,  0.00)
173: 31       ( -8.087,  -2.126,  10.829)  ( -8.084,  -2.122,  10.842)  ( 0.03,  0.18,  0.12)
173:     bond    (  1.295,  -3.749,  11.836)  (  1.296,  -3.748,  11.849)  ( 0.02,  0.04,  0.11)
173:     angle   ( -7.992,   2.748,   1.743)  ( -7.990,   2.750,   1.744)  ( 0.03,  0.08,  0.01)
173:     torsion ( -3.829,   1.331,   0.840)  ( -3.829,   1.331,   0.840)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.640,  -1.381,  -2.928)  (  2.640,  -1.381,  -2.928)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.202,  -1.073,  -0.663)  ( -0.202,  -1.073,  -0.663)  ( 0.00,  0.00,  0.00)
173: 32       (  3.782,  -2.362,  12.697)  (  3.792,  -2.354,  12.701)  ( 0.25,  0.34,  0.03)
173:     bond    ( -2.410,  -2.075,   1.208)  ( -2.402,  -2.069,   1.210)  ( 0.34,  0.30,  0.17)
173:     angle   (  2.377,   0.318,   5.268)  (  2.378,   0.320,   5.269)  ( 0.04,  0.06,  0.02)
173:     torsion (  3.459,  -0.401,   6.184)  (  3.460,  -0.401,   6.184)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.196,  -0.114,  -0.019)  ( -0.196,  -0.114,  -0.019)  ( 0.00,  0.00,  0.00)
173:     electro (  0.552,  -0.089,   0.057)  (  0.552,  -0.089,   0.057)  ( 0.00,  0.00,  0.00)
173: 33       ( 14.707,  15.392,  24.561)  ( 14.712,  15.418,  24.561)  ( 0.03,  0.17,  0.00)
173:     bond    (  2.460,  14.832,  -0.289)  (  2.461,  14.859,  -0.288)  ( 0.03,  0.18,  0.00)
173:     angle   ( 44.102,  -7.196,   5.657)  ( 44.106,  -7.196,   5.657)  ( 0.01,  0.00,  0.00)
173:     torsion ( -3.348,   1.119,  29.067)  ( -3.348,   1.119,  29.067)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-13.195,  -1.613,  -5.003)  (-13.195,  -1.613,  -5.003)  ( 0.00,  0.00,  0.00)
173:     electro (-15.312,   8.249,  -4.872)  (-15.312,   8.249,  -4.872)  ( 0.00,  0.00,  0.00)
173: 34       ( 90.156, -169.662,   6.911)  ( 90.180, -169.641,   6.913)  ( 0.03,  0.01,  0.03)
173:     bond    (113.119, -119.745,  19.428)  (113.140, -119.731,  19.429)  ( 0.02,  0.01,  0.01)
173:     angle   ( 20.434, -27.807,   4.485)  ( 20.435, -27.801,   4.485)  ( 0.01,  0.02,  0.01)
173:     torsion (  2.332,  -0.887, -19.412)  (  2.332,  -0.887, -19.411)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-42.736, -28.761,   6.436)  (-42.735, -28.761,   6.436)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.992,   7.539,  -4.026)  ( -2.992,   7.539,  -4.026)  ( 0.00,  0.00,  0.00)
173: 35       (  2.054,  31.026,  -2.404)  (  2.065,  31.033,  -2.403)  ( 0.51,  0.02,  0.03)
173:     bond    ( 17.628,  13.996,   1.112)  ( 17.637,  14.002,   1.112)  ( 0.05,  0.04,  0.01)
173:     angle   (-21.183,  26.990,  -3.906)  (-21.182,  26.991,  -3.906)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.171,  -0.091,  -1.558)  (  0.171,  -0.091,  -1.558)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro (  5.438,  -9.868,   1.948)  (  5.438,  -9.868,   1.948)  ( 0.00,  0.00,  0.00)
173: 36       ( 19.874,  -0.962, -15.567)  ( 19.910,  -0.941, -15.541)  ( 0.18,  2.01,  0.17)
173:     bond    ( 20.777, -25.063, -11.073)  ( 20.805, -25.050, -11.056)  ( 0.13,  0.05,  0.15)
173:     angle   (  2.785,  15.055,  -3.975)  (  2.794,  15.063,  -3.965)  ( 0.31,  0.06,  0.25)
173:     torsion ( -5.968,   1.304,  -1.007)  ( -5.968,   1.303,  -1.007)  ( 0.00,  0.03,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.063,   8.544,   0.466)  (  2.063,   8.544,   0.466)  ( 0.00,  0.00,  0.00)
173:     electro (  0.216,  -0.802,   0.022)  (  0.216,  -0.802,   0.022)  ( 0.00,  0.00,  0.00)
173: 37       ( -5.930,  -4.258, -25.737)  ( -5.904,  -4.232, -25.705)  ( 0.43,  0.61,  0.13)
173:     bond    ( -2.461, -26.438, -16.460)  ( -2.444, -26.421, -16.438)  ( 0.72,  0.07,  0.13)
173:     angle   ( -1.129,  12.699, -13.147)  ( -1.122,  12.708, -13.137)  ( 0.68,  0.07,  0.08)
173:     torsion (  4.307,   3.398,   2.906)  (  4.307,   3.398,   2.906)  ( 0.01,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.798,   6.828,   1.015)  ( -6.798,   6.828,   1.015)  ( 0.00,  0.00,  0.00)
173:     electro (  0.152,  -0.745,  -0.051)  (  0.152,  -0.745,  -0.051)  ( 0.00,  0.00,  0.00)
173: 38       (  1.190,   5.045,  -6.234)  (  1.194,   5.051,  -6.225)  ( 0.39,  0.12,  0.13)
173:     bond    ( -2.309,   4.051,  -4.780)  ( -2.307,   4.057,  -4.773)  ( 0.07,  0.13,  0.15)
173:     angle   (  1.551,   1.029,   0.123)  (  1.554,   1.029,   0.124)  ( 0.19,  0.07,  0.01)
173:     torsion (  3.107,  -0.067,  -1.559)  (  3.106,  -0.067,  -1.559)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.931,  -0.156,   0.009)  ( -0.931,  -0.156,   0.009)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.227,   0.189,  -0.027)  ( -0.227,   0.189,  -0.027)  ( 0.00,  0.00,  0.00)
173: 39       ( -2.417,  -7.673,   6.179)  ( -2.408,  -7.670,   6.186)  ( 0.35,  0.04,  0.13)
173:     bond    ( -4.552,  -1.713,   4.541)  ( -4.546,  -1.712,   4.548)  ( 0.15,  0.05,  0.15)
173:     angle   (  1.497,  -7.841,  -1.454)  (  1.498,  -7.839,  -1.453)  ( 0.12,  0.02,  0.08)
173:     torsion (  2.759,  -1.370,   2.242)  (  2.759,  -1.370,   2.242)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.001,   3.070,   0.732)  ( -2.001,   3.070,   0.732)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.119,   0.181,   0.117)  ( -0.119,   0.181,   0.117)  ( 0.00,  0.00,  0.00)
173: 40       (  2.495,   5.396,  -5.771)  (  2.500,   5.404,  -5.765)  ( 0.21,  0.15,  0.09)
173:     bond    (  3.908,   5.356,  -3.020)  (  3.913,   5.364,  -3.017)  ( 0.11,  0.15,  0.08)
173:     angle   ( -1.013,   0.507,  -0.412)  ( -1.012,   0.508,  -0.409)  ( 0.12,  0.03,  0.12)
173:     torsion ( -1.277,  -0.746,  -2.982)  ( -1.277,  -0.746,  -2.982)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.905,   0.007,   0.589)  (  0.905,   0.007,   0.589)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.029,   0.272,   0.054)  ( -0.029,   0.272,   0.054)  ( 0.00,  0.00,  0.00)
173: 41       ( -0.002,  -4.405,   6.787)  (  0.000,  -4.402,   6.801)  ( 0.00,  0.06,  0.20)
173:     bond    (  1.119,  -0.900,   5.841)  (  1.120,  -0.900,   5.855)  ( 0.04,  0.03,  0.23)
173:     angle   (  0.861,  -2.684,  -0.577)  (  0.863,  -2.682,  -0.577)  ( 0.19,  0.09,  0.00)
173:     torsion ( -2.950,  -2.613,   0.162)  ( -2.950,  -2.613,   0.162)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.125,   1.757,   1.262)  (  1.125,   1.757,   1.262)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.157,   0.035,   0.098)  ( -0.157,   0.035,   0.098)  ( 0.00,  0.00,  0.00)
173: 42       (  8.231, -46.377,   3.047)  (  8.233, -46.373,   3.061)  ( 0.03,  0.01,  0.43)
173:     bond    ( -1.187,  -0.100,   3.673)  ( -1.186,  -0.100,   3.686)  ( 0.12,  0.00,  0.36)
173:     angle   (  9.928, -50.673,   1.815)  (  9.929, -50.669,   1.815)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.764,   3.743,  -0.144)  ( -0.764,   3.743,  -0.144)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.037,  -0.220,  -0.845)  (  0.037,  -0.220,  -0.844)  ( 0.00,  0.00,  0.00)
173:     electro (  0.217,   0.873,  -1.452)  (  0.217,   0.873,  -1.452)  ( 0.00,  0.00,  0.00)
173: ok 24 # gradients 
173: ok 25 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       ( 15.644, 125.382,   8.490)  ( 15.677, 125.410,   8.493)  ( 0.22,  0.02,  0.04)
173:     bond    ( 17.373,  73.022,   6.267)  ( 17.401,  73.042,   6.267)  ( 0.16,  0.03,  0.01)
173:     angle   ( -2.709,  52.504,   2.697)  ( -2.703,  52.513,   2.697)  ( 0.24,  0.02,  0.00)
173:     torsion (  0.078,   0.026,  -0.588)  (  0.078,   0.026,  -0.585)  ( 0.00,  0.00,  0.19)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.913,  -0.143,   0.026)  (  0.913,  -0.143,   0.026)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.012,  -0.028,   0.089)  ( -0.012,  -0.028,   0.089)  ( 0.00,  0.00,  0.00)
173:  2       (  3.413,   2.349,   0.643)  (  3.448,   2.385,   0.649)  ( 1.02,  1.53,  0.40)
173:     bond    (-27.832, -25.792,  -4.889)  (-27.806, -25.765,  -4.889)  ( 0.09,  0.10,  0.01)
173:     angle   ( 31.946,  28.998,   6.175)  ( 31.954,  29.007,   6.174)  ( 0.03,  0.03,  0.00)
173:     torsion (  0.090,   0.043,  -0.861)  (  0.090,   0.043,  -0.855)  ( 0.00,  0.00,  0.50)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.935,  -0.767,  -0.059)  ( -0.935,  -0.767,  -0.059)  ( 0.01,  0.00,  0.00)
173:     electro (  0.144,  -0.132,   0.277)  (  0.144,  -0.132,   0.277)  ( 0.00,  0.00,  0.00)
173:  3       (-60.076, -124.122, -11.442)  (-60.041, -124.085, -11.437)  ( 0.06,  0.03,  0.05)
173:     bond    ( -2.236, -32.032,  -2.221)  ( -2.211, -32.005,  -2.221)  ( 1.13,  0.08,  0.03)
173:     angle   (-35.495, -109.358, -13.161)  (-35.486, -109.349, -13.161)  ( 0.03,  0.01,  0.00)
173:     torsion ( -0.728,  -0.150,   6.625)  ( -0.728,  -0.150,   6.629)  ( 0.01,  0.00,  0.07)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-21.763,  17.707,  -2.867)  (-21.763,  17.708,  -2.867)  ( 0.00,  0.00,  0.00)
173:     electro (  0.146,  -0.289,   0.182)  (  0.146,  -0.289,   0.182)  ( 0.00,  0.00,  0.00)
173:  4       ( 69.645,  38.599,  20.809)  ( 69.675,  38.633,  20.812)  ( 0.04,  0.09,  0.02)
173:     bond    ( 80.610,  67.321,  13.988)  ( 80.629,  67.349,  13.988)  ( 0.02,  0.04,  0.00)
173:     angle   ( 13.985, -19.121,  10.319)  ( 13.995, -19.114,  10.320)  ( 0.07,  0.04,  0.01)
173:     torsion ( -0.030,  -0.023,  -5.570)  ( -0.030,  -0.023,  -5.568)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-24.861,  -9.584,   2.033)  (-24.861,  -9.584,   2.033)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.058,   0.005,   0.038)  ( -0.058,   0.005,   0.038)  ( 0.00,  0.00,  0.00)
173:  5       (-65.626,  46.637,  -7.647)  (-65.598,  46.667,  -7.621)  ( 0.04,  0.06,  0.35)
173:     bond    ( 38.092, -28.282,  -8.383)  ( 38.111, -28.263,  -8.364)  ( 0.05,  0.07,  0.22)
173:     angle   (-83.340,  67.151,  -0.747)  (-83.331,  67.161,  -0.740)  ( 0.01,  0.02,  0.49)
173:     torsion ( -0.408,   0.323,  -5.983)  ( -0.408,   0.323,  -5.982)  ( 0.01,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-20.691,   6.854,   8.178)  (-20.690,   6.854,   8.178)  ( 0.00,  0.01,  0.00)
173:     electro (  0.721,   0.593,  -0.712)  (  0.721,   0.593,  -0.712)  ( 0.00,  0.00,  0.00)
173:  6       (-84.995, -79.051, -15.103)  (-84.981, -79.036, -15.103)  ( 0.02,  0.02,  0.00)
173:     bond    (-74.810, -76.213, -12.570)  (-74.799, -76.202, -12.571)  ( 0.02,  0.01,  0.00)
173:     angle   ( -9.506,  -4.523,  -1.871)  ( -9.504,  -4.519,  -1.871)  ( 0.02,  0.07,  0.00)
173:     torsion (  0.115,   0.059,  -0.989)  (  0.115,   0.059,  -0.989)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.736,   1.636,  -0.101)  ( -0.735,   1.636,  -0.101)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.058,  -0.011,   0.428)  ( -0.058,  -0.011,   0.428)  ( 0.00,  0.00,  0.00)
173:  7       ( 40.249,  17.933,  48.945)  ( 40.274,  17.958,  48.958)  ( 0.06,  0.14,  0.03)
173:     bond    ( 40.914,  20.980,  56.184)  ( 40.932,  20.998,  56.189)  ( 0.04,  0.09,  0.01)
173:     angle   (-15.006,  10.514, -13.322)  (-14.999,  10.520, -13.316)  ( 0.04,  0.06,  0.05)
173:     torsion (  2.866,  -3.976,  -5.494)  (  2.866,  -3.976,  -5.493)  ( 0.01,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 16.577,  -2.819,  10.063)  ( 16.578,  -2.819,  10.063)  ( 0.00,  0.01,  0.00)
173:     electro ( -5.103,  -6.765,   1.515)  ( -5.103,  -6.765,   1.515)  ( 0.00,  0.00,  0.00)
173:  8       ( 12.564,  -6.466,   0.379)  ( 12.567,  -6.454,   0.384)  ( 0.02,  0.18,  0.18)
173:     bond    ( -0.079,  -3.442,   1.689)  ( -0.079,  -3.431,   1.692)  ( 0.00,  0.33,  0.16)
173:     angle   ( 28.794,  -4.274,  -7.318)  ( 28.796,  -4.274,  -7.316)  ( 0.01,  0.01,  0.03)
173:     torsion (  0.796,   0.380,   0.808)  (  0.796,   0.380,   0.808)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-17.254,   0.282,   7.059)  (-17.253,   0.282,   7.059)  ( 0.00,  0.00,  0.00)
173:     electro (  0.307,   0.588,  -1.858)  (  0.307,   0.588,  -1.858)  ( 0.00,  0.00,  0.00)
173:  9       ( 11.619,  -5.680, -13.501)  ( 11.622,  -5.677, -13.487)  ( 0.03,  0.05,  0.10)
173:     bond    ( -2.283,  -2.038, -14.456)  ( -2.282,  -2.038, -14.442)  ( 0.02,  0.02,  0.09)
173:     angle   ( 19.832,  -7.343,  -2.099)  ( 19.834,  -7.341,  -2.099)  ( 0.01,  0.03,  0.00)
173:     torsion ( -0.663,  -0.886,   0.230)  ( -0.663,  -0.885,   0.230)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.080,   3.773,   2.609)  ( -4.080,   3.773,   2.609)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.186,   0.814,   0.214)  ( -1.186,   0.814,   0.214)  ( 0.00,  0.00,  0.00)
173: 10       ( 23.620, -63.059,  12.308)  ( 23.648, -63.031,  12.335)  ( 0.12,  0.04,  0.22)
173:     bond    (-19.896,  28.244, -15.298)  (-19.878,  28.263, -15.280)  ( 0.09,  0.07,  0.12)
173:     angle   ( 31.272, -66.499,  22.060)  ( 31.282, -66.490,  22.068)  ( 0.03,  0.01,  0.03)
173:     torsion (  1.847,  -0.313,   1.869)  (  1.847,  -0.313,   1.869)  ( 0.02,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 10.372, -24.536,   3.728)  ( 10.372, -24.536,   3.728)  ( 0.01,  0.00,  0.00)
173:     electro (  0.025,   0.045,  -0.052)  (  0.025,   0.045,  -0.052)  ( 0.00,  0.00,  0.00)
173: 11       ( 41.115,  31.887,  -3.911)  ( 41.142,  31.915,  -3.885)  ( 0.07,  0.09,  0.66)
173:     bond    ( 43.968, -11.102,   3.079)  ( 43.986, -11.083,   3.097)  ( 0.04,  0.17,  0.60)
173:     angle   ( -1.014,  54.715, -13.618)  ( -1.005,  54.724, -13.611)  ( 0.92,  0.02,  0.05)
173:     torsion ( -1.031,  -0.193,   8.022)  ( -1.031,  -0.193,   8.023)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.822, -11.659,  -1.434)  ( -0.822, -11.658,  -1.434)  ( 0.00,  0.00,  0.00)
173:     electro (  0.014,   0.126,   0.040)  (  0.014,   0.126,   0.040)  ( 0.00,  0.00,  0.00)
173: 12       (  3.568,  15.659,  -4.221)  (  3.576,  15.666,  -4.218)  ( 0.25,  0.05,  0.08)
173:     bond    ( -4.418,   3.835,   1.873)  ( -4.410,   3.841,   1.875)  ( 0.16,  0.14,  0.07)
173:     angle   ( 15.924,  23.570, -10.828)  ( 15.925,  23.571, -10.826)  ( 0.01,  0.01,  0.02)
173:     torsion ( -1.226,  -2.564,   2.369)  ( -1.226,  -2.564,   2.369)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.828,  -8.424,   2.591)  ( -6.828,  -8.423,   2.591)  ( 0.00,  0.00,  0.00)
173:     electro (  0.116,  -0.758,  -0.227)  (  0.116,  -0.758,  -0.227)  ( 0.00,  0.00,  0.00)
173: 13       ( -7.792,   7.327, -12.878)  ( -7.790,   7.330, -12.864)  ( 0.03,  0.04,  0.11)
173:     bond    ( -1.370,  -1.218, -16.275)  ( -1.370,  -1.218, -16.261)  ( 0.01,  0.01,  0.09)
173:     angle   ( -7.318,  10.209,  -0.149)  ( -7.316,  10.212,  -0.149)  ( 0.03,  0.02,  0.00)
173:     torsion ( -1.000,   4.473,  -0.251)  ( -1.000,   4.473,  -0.251)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.157,  -5.003,   3.406)  (  2.157,  -5.003,   3.406)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.261,  -1.134,   0.390)  ( -0.261,  -1.134,   0.390)  ( 0.00,  0.00,  0.00)
173: 14       (  1.114,   2.225,  12.550)  (  1.117,   2.229,  12.563)  ( 0.24,  0.19,  0.10)
173:     bond    ( -0.918,   5.582,  12.387)  ( -0.918,   5.584,  12.399)  ( 0.01,  0.04,  0.09)
173:     angle   (  4.322,  -6.752,   3.360)  (  4.325,  -6.750,   3.361)  ( 0.06,  0.03,  0.01)
173:     torsion ( -1.605,   4.216,  -2.018)  ( -1.605,   4.216,  -2.018)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.450,  -1.094,  -1.045)  ( -0.449,  -1.094,  -1.045)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.235,   0.273,  -0.135)  ( -0.235,   0.273,  -0.135)  ( 0.00,  0.00,  0.00)
173: 15       (  0.602,   4.550, -10.731)  (  0.605,   4.559, -10.723)  ( 0.18,  0.19,  0.07)
173:     bond    (  2.067,   8.217,  -7.378)  (  2.068,   8.225,  -7.372)  ( 0.03,  0.09,  0.08)
173:     angle   ( -3.740,   0.483,  -0.510)  ( -3.737,   0.484,  -0.509)  ( 0.06,  0.05,  0.06)
173:     torsion (  2.245,  -3.016,  -2.735)  (  2.245,  -3.016,  -2.735)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.402,  -1.119,   0.139)  (  0.402,  -1.119,   0.139)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.373,  -0.015,  -0.247)  ( -0.373,  -0.015,  -0.247)  ( 0.00,  0.00,  0.00)
173: 16       (-12.334, -24.086,  -1.982)  (-12.320, -24.082,  -1.981)  ( 0.11,  0.02,  0.05)
173:     bond    ( -5.657,   1.477,  -0.634)  ( -5.643,   1.478,  -0.634)  ( 0.24,  0.06,  0.01)
173:     angle   ( -6.330, -25.114,  -2.201)  ( -6.330, -25.111,  -2.201)  ( 0.00,  0.01,  0.00)
173:     torsion ( -0.132,  -0.056,   1.045)  ( -0.132,  -0.056,   1.045)  ( 0.00,  0.00,  0.09)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.071,  -0.141,  -0.005)  (  0.072,  -0.141,  -0.005)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.286,  -0.251,  -0.186)  ( -0.286,  -0.251,  -0.186)  ( 0.00,  0.00,  0.00)
173: 17       ( 17.663,   7.046,   3.608)  ( 17.667,   7.061,   3.610)  ( 0.02,  0.21,  0.04)
173:     bond    ( -0.471,   5.579,   0.247)  ( -0.471,   5.593,   0.247)  ( 0.00,  0.26,  0.00)
173:     angle   ( 18.656,   1.475,   2.171)  ( 18.659,   1.475,   2.171)  ( 0.02,  0.00,  0.00)
173:     torsion ( -0.179,  -0.085,   1.574)  ( -0.178,  -0.085,   1.575)  ( 0.00,  0.00,  0.10)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.455,   0.245,  -0.061)  ( -0.455,   0.245,  -0.061)  ( 0.00,  0.00,  0.00)
173:     electro (  0.112,  -0.167,  -0.323)  (  0.112,  -0.167,  -0.323)  ( 0.00,  0.00,  0.00)
173: 18       (-13.242,  87.357, -29.874)  (-13.213,  87.386, -29.846)  ( 0.22,  0.03,  0.09)
173:     bond    (-34.100,  60.048, -72.323)  (-34.081,  60.067, -72.305)  ( 0.06,  0.03,  0.03)
173:     angle   ( 20.407,  22.661,  45.180)  ( 20.415,  22.670,  45.189)  ( 0.04,  0.04,  0.02)
173:     torsion ( -1.100,  -1.323,   1.620)  ( -1.100,  -1.322,   1.620)  ( 0.03,  0.05,  0.02)
173:     oop     (  0.091,   0.116,   0.000)  (  0.091,   0.116,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.333,   7.454,  -6.595)  ( -0.332,   7.454,  -6.594)  ( 0.01,  0.00,  0.00)
173:     electro (  1.794,  -1.599,   2.243)  (  1.794,  -1.599,   2.243)  ( 0.00,  0.00,  0.00)
173: 19       ( 29.669, -31.984, -46.828)  ( 29.694, -31.966, -46.791)  ( 0.09,  0.06,  0.08)
173:     bond    ( 26.636, -22.059, -27.238)  ( 26.652, -22.049, -27.209)  ( 0.06,  0.05,  0.11)
173:     angle   (  5.202, -28.237, -23.056)  (  5.209, -28.232, -23.047)  ( 0.13,  0.02,  0.04)
173:     torsion ( -1.939,  -2.164,  -0.218)  ( -1.937,  -2.161,  -0.218)  ( 0.09,  0.13,  0.00)
173:     oop     ( -0.059,  -0.068,   0.005)  ( -0.058,  -0.068,   0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.171,  20.586,   3.668)  ( -0.170,  20.586,   3.668)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.001,  -0.042,   0.010)  ( -0.001,  -0.042,   0.010)  ( 0.00,  0.00,  0.00)
173: 20       ( -0.167, -60.187,   5.067)  ( -0.150, -60.151,   5.095)  ( 0.28,  0.06,  0.56)
173:     bond    (-13.335, -59.208,  11.009)  (-13.323, -59.181,  11.030)  ( 0.09,  0.05,  0.19)
173:     angle   (-17.127,  -8.764, -10.876)  (-17.123,  -8.755, -10.870)  ( 0.02,  0.10,  0.06)
173:     torsion (  0.375,  -0.371,  -0.858)  (  0.375,  -0.371,  -0.858)  ( 0.02,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 22.586,   9.292,   2.173)  ( 22.587,   9.293,   2.173)  ( 0.00,  0.00,  0.01)
173:     electro (  7.334,  -1.138,   3.619)  (  7.334,  -1.138,   3.619)  ( 0.00,  0.00,  0.00)
173: 21       (  4.402,  -4.198, -11.567)  (  4.405,  -4.195, -11.553)  ( 0.07,  0.07,  0.12)
173:     bond    ( -0.975,  -1.277,  -9.190)  ( -0.975,  -1.276,  -9.176)  ( 0.02,  0.02,  0.15)
173:     angle   ( 11.082, -14.956,   0.902)  ( 11.085, -14.954,   0.903)  ( 0.02,  0.02,  0.01)
173:     torsion ( -0.864,  -1.105,   0.245)  ( -0.864,  -1.104,   0.245)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -7.242,  11.589,  -2.591)  ( -7.242,  11.589,  -2.591)  ( 0.01,  0.00,  0.00)
173:     electro (  2.400,   1.551,  -0.934)  (  2.400,   1.551,  -0.934)  ( 0.00,  0.00,  0.00)
173: 22       ( -5.881,   3.913,  18.792)  ( -5.855,   3.931,  18.829)  ( 0.44,  0.45,  0.20)
173:     bond    ( 14.134,  -9.305,  74.126)  ( 14.151,  -9.296,  74.154)  ( 0.12,  0.11,  0.04)
173:     angle   (-12.973,   9.627, -31.669)  (-12.967,   9.631, -31.661)  ( 0.05,  0.04,  0.03)
173:     torsion (  1.582,   1.882,   0.008)  (  1.584,   1.886,   0.008)  ( 0.12,  0.20,  0.00)
173:     oop     (  0.113,   0.142,   0.000)  (  0.113,   0.142,   0.000)  ( 0.00,  0.01,  0.00)
173:     vdw     (-10.457,   3.861, -23.405)  (-10.457,   3.861, -23.404)  ( 0.00,  0.01,  0.00)
173:     electro (  1.720,  -2.294,  -0.268)  (  1.720,  -2.294,  -0.268)  ( 0.00,  0.00,  0.00)
173: 23       (-13.869,   8.487,  10.338)  (-13.842,   8.506,  10.373)  ( 0.19,  0.21,  0.34)
173:     bond    (-21.743,  16.102,  21.542)  (-21.724,  16.113,  21.567)  ( 0.09,  0.07,  0.11)
173:     angle   (  6.141,  -4.220,  14.969)  (  6.146,  -4.217,  14.978)  ( 0.08,  0.07,  0.06)
173:     torsion ( -0.978,  -1.333,   0.050)  ( -0.976,  -1.329,   0.050)  ( 0.20,  0.28,  0.00)
173:     oop     ( -0.037,  -0.048,  -0.000)  ( -0.037,  -0.048,  -0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.075,  -1.504, -26.495)  (  2.075,  -1.504, -26.494)  ( 0.00,  0.00,  0.00)
173:     electro (  0.673,  -0.510,   0.273)  (  0.673,  -0.510,   0.273)  ( 0.00,  0.00,  0.00)
173: 24       ( -2.882,   2.485,   6.856)  ( -2.857,   2.502,   6.893)  ( 0.86,  0.69,  0.55)
173:     bond    ( -9.995,   7.266,  14.600)  ( -9.979,   7.275,  14.630)  ( 0.16,  0.13,  0.20)
173:     angle   ( -9.417,   7.281,   0.557)  ( -9.411,   7.285,   0.565)  ( 0.06,  0.05,  0.46)
173:     torsion (  0.613,   0.764,   0.016)  (  0.615,   0.768,   0.016)  ( 0.13,  0.28,  0.00)
173:     oop     ( -0.209,  -0.275,  -0.005)  ( -0.208,  -0.274,  -0.005)  ( 0.01,  0.01,  0.00)
173:     vdw     ( 16.237, -12.583,  -8.371)  ( 16.237, -12.583,  -8.371)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.111,   0.031,   0.058)  ( -0.111,   0.031,   0.058)  ( 0.00,  0.00,  0.00)
173: 25       (-13.655,  11.112,  -5.298)  (-13.630,  11.129,  -5.261)  ( 0.18,  0.16,  0.70)
173:     bond    (-36.528,  28.512,   0.130)  (-36.511,  28.523,   0.158)  ( 0.05,  0.04,  0.36)
173:     angle   (  5.526,  -3.478, -23.723)  (  5.531,  -3.475, -23.714)  ( 0.10,  0.10,  0.04)
173:     torsion ( -0.331,  -0.396,   0.008)  ( -0.329,  -0.392,   0.008)  ( 0.07,  0.14,  0.00)
173:     oop     (  0.226,   0.291,   0.007)  (  0.227,   0.292,   0.007)  ( 0.01,  0.01,  0.00)
173:     vdw     ( 17.509, -13.776,  18.233)  ( 17.510, -13.776,  18.233)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.058,  -0.042,   0.047)  ( -0.058,  -0.042,   0.047)  ( 0.00,  0.00,  0.00)
173: 26       ( 11.326, -10.841, -10.424)  ( 11.351, -10.824, -10.389)  ( 0.22,  0.16,  0.33)
173:     bond    (-10.517,   8.981, -69.682)  (-10.498,   8.993, -69.658)  ( 0.18,  0.13,  0.03)
173:     angle   ( 24.194, -18.411,  33.216)  ( 24.197, -18.409,  33.227)  ( 0.01,  0.01,  0.03)
173:     torsion ( -2.207,  -3.030,  -0.271)  ( -2.206,  -3.027,  -0.271)  ( 0.08,  0.09,  0.00)
173:     oop     ( -0.486,  -0.621,  -0.019)  ( -0.485,  -0.620,  -0.019)  ( 0.01,  0.02,  0.00)
173:     vdw     (  0.550,   1.323,  26.631)  (  0.550,   1.323,  26.631)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.207,   0.917,  -0.300)  ( -0.207,   0.917,  -0.300)  ( 0.00,  0.00,  0.00)
173: 27       (  2.749,   1.070,   9.025)  (  2.757,   1.075,   9.033)  ( 0.26,  0.44,  0.09)
173:     bond    (  3.982,  -2.885,   4.072)  (  3.988,  -2.882,   4.078)  ( 0.14,  0.10,  0.14)
173:     angle   ( -7.527,   5.758,  11.429)  ( -7.527,   5.758,  11.431)  ( 0.01,  0.01,  0.02)
173:     torsion (  4.283,   5.791,  -0.095)  (  4.284,   5.792,  -0.095)  ( 0.01,  0.02,  0.00)
173:     oop     (  0.007,   0.010,  -0.000)  (  0.007,   0.010,  -0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.020, -10.163,  -7.420)  (  5.020, -10.163,  -7.420)  ( 0.00,  0.00,  0.00)
173:     electro ( -3.016,   2.559,   1.039)  ( -3.016,   2.559,   1.039)  ( 0.00,  0.00,  0.00)
173: 28       ( -1.597,   3.334,   2.891)  ( -1.590,   3.339,   2.898)  ( 0.44,  0.15,  0.26)
173:     bond    ( -1.478,   1.180,  -1.445)  ( -1.473,   1.184,  -1.440)  ( 0.38,  0.30,  0.37)
173:     angle   ( -3.422,   2.568,   5.608)  ( -3.421,   2.569,   5.610)  ( 0.02,  0.02,  0.04)
173:     torsion (  0.962,   1.225,   0.023)  (  0.962,   1.226,   0.023)  ( 0.05,  0.07,  0.00)
173:     oop     (  0.025,   0.031,   0.001)  (  0.025,   0.031,   0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.500,  -1.901,  -1.857)  (  2.500,  -1.901,  -1.857)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.183,   0.230,   0.561)  ( -0.183,   0.230,   0.561)  ( 0.00,  0.00,  0.00)
173: 29       ( -8.733,  10.082,  10.040)  ( -8.731,  10.083,  10.053)  ( 0.02,  0.01,  0.14)
173:     bond    (  0.030,  -0.009,  -0.395)  (  0.030,  -0.009,  -0.381)  ( 0.00,  0.00,  0.53)
173:     angle   (-24.364,  18.884,  -2.337)  (-24.363,  18.885,  -2.337)  ( 0.00,  0.00,  0.00)
173:     torsion (  2.811,   3.678,   0.138)  (  2.811,   3.678,   0.138)  ( 0.01,  0.01,  0.00)
173:     oop     (  0.174,   0.219,   0.009)  (  0.174,   0.219,   0.009)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.058, -12.723,  12.965)  ( 13.058, -12.723,  12.965)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.441,   0.033,  -0.340)  ( -0.441,   0.033,  -0.340)  ( 0.00,  0.00,  0.00)
173: 30       ( -0.964,  -2.347,   0.145)  ( -0.961,  -2.344,   0.159)  ( 0.28,  0.10,  0.21)
173:     bond    ( -0.121,   0.081,   1.060)  ( -0.121,   0.082,   1.075)  ( 0.00,  0.00,  1.33)
173:     angle   (  0.934,  -0.710,   0.159)  (  0.936,  -0.709,   0.159)  ( 0.20,  0.09,  0.00)
173:     torsion ( -1.521,  -2.022,  -0.018)  ( -1.520,  -2.021,  -0.018)  ( 0.03,  0.04,  0.00)
173:     oop     (  0.048,   0.063,   0.001)  (  0.048,   0.063,   0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.034,  -0.007,  -0.386)  (  0.034,  -0.007,  -0.386)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.338,   0.248,  -0.671)  ( -0.338,   0.248,  -0.671)  ( 0.00,  0.00,  0.00)
173: 31       ( -0.226,  -0.578,  -0.060)  ( -0.218,  -0.573,  -0.055)  ( 0.20,  0.33,  0.03)
173:     bond    ( -0.498,   0.367,   0.247)  ( -0.491,   0.372,   0.249)  ( 0.39,  0.17,  0.05)
173:     angle   (  0.007,  -0.017,   0.037)  (  0.008,  -0.017,   0.040)  ( 0.00,  0.00,  0.01)
173:     torsion ( -0.479,  -0.623,  -0.015)  ( -0.479,  -0.622,  -0.015)  ( 0.02,  0.05,  0.00)
173:     oop     (  0.104,   0.136,   0.002)  (  0.104,   0.136,   0.002)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.295,  -0.221,  -0.167)  (  0.295,  -0.221,  -0.167)  ( 0.00,  0.00,  0.00)
173:     electro (  0.345,  -0.221,  -0.163)  (  0.345,  -0.221,  -0.163)  ( 0.00,  0.00,  0.00)
173: 32       (-25.368, -58.445,  -4.168)  (-25.360, -58.428,  -4.159)  ( 0.03,  0.03,  0.21)
173:     bond    (-37.897, -54.343, -32.702)  (-37.889, -54.328, -32.697)  ( 0.02,  0.03,  0.02)
173:     angle   ( -0.340,   0.990,  -1.257)  ( -0.340,   0.992,  -1.254)  ( 0.01,  0.15,  0.18)
173:     torsion ( -0.962,   0.342,   0.547)  ( -0.962,   0.342,   0.547)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 19.496,  -8.517,  36.588)  ( 19.496,  -8.517,  36.589)  ( 0.00,  0.00,  0.00)
173:     electro ( -5.665,   3.083,  -7.343)  ( -5.665,   3.083,  -7.343)  ( 0.00,  0.00,  0.00)
173: 33       ( 51.394,   5.706,  80.344)  ( 51.402,   5.723,  80.362)  ( 0.02,  0.30,  0.02)
173:     bond    ( 38.088, -37.097,  84.704)  ( 38.092, -37.086,  84.720)  ( 0.01,  0.03,  0.02)
173:     angle   ( 10.741,   8.517,  10.383)  ( 10.744,   8.522,  10.385)  ( 0.03,  0.06,  0.02)
173:     torsion ( -4.202,   1.286,   2.601)  ( -4.201,   1.286,   2.601)  ( 0.02,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.730,  29.919, -16.938)  (  7.730,  29.920, -16.938)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.963,   3.081,  -0.405)  ( -0.963,   3.081,  -0.405)  ( 0.00,  0.00,  0.00)
173: 34       (-37.323,  42.276, -81.401)  (-37.296,  42.302, -81.374)  ( 0.07,  0.06,  0.03)
173:     bond    (  0.211,  32.125, -12.515)  (  0.230,  32.142, -12.497)  ( 0.40,  0.06,  0.14)
173:     angle   (-22.919,   5.660, -35.599)  (-22.912,   5.669, -35.591)  ( 0.03,  0.15,  0.02)
173:     torsion (  2.511,  -1.101,  -2.384)  (  2.511,  -1.101,  -2.384)  ( 0.01,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-17.970,   6.141, -32.380)  (-17.970,   6.141, -32.379)  ( 0.00,  0.00,  0.00)
173:     electro (  0.844,  -0.549,   1.478)  (  0.844,  -0.549,   1.478)  ( 0.00,  0.00,  0.00)
173: 35       (  1.767,   0.470,   1.804)  (  1.772,   0.473,   1.816)  ( 0.28,  0.12,  0.62)
173:     bond    (  1.023,   0.055,   1.841)  (  1.026,   0.055,   1.852)  ( 0.32,  0.00,  0.58)
173:     angle   (  0.771,   0.161,  -0.434)  (  0.773,   0.164,  -0.433)  ( 0.12,  0.04,  0.02)
173:     torsion ( -0.225,   0.060,   0.123)  ( -0.225,   0.060,   0.123)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.081,  -0.268,   0.349)  (  0.081,  -0.268,   0.349)  ( 0.00,  0.00,  0.00)
173:     electro (  0.117,   0.463,  -0.075)  (  0.117,   0.463,  -0.075)  ( 0.00,  0.00,  0.00)
173: 36       (  8.993,  -2.785,   7.348)  (  8.998,  -2.777,   7.354)  ( 0.05,  0.27,  0.09)
173:     bond    (  1.748,  -2.436,  -2.251)  (  1.751,  -2.430,  -2.246)  ( 0.18,  0.24,  0.23)
173:     angle   (  8.379,  -4.308,  11.192)  (  8.381,  -4.306,  11.194)  ( 0.02,  0.03,  0.01)
173:     torsion (  0.616,   0.128,   0.342)  (  0.616,   0.128,   0.342)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.850,   3.192,  -2.499)  ( -2.850,   3.192,  -2.499)  ( 0.00,  0.00,  0.00)
173:     electro (  1.100,   0.638,   0.563)  (  1.100,   0.638,   0.563)  ( 0.00,  0.00,  0.00)
173: 37       (  3.026,  -2.642,  10.074)  (  3.039,  -2.638,  10.077)  ( 0.42,  0.13,  0.03)
173:     bond    ( -2.126,  -0.638,   0.376)  ( -2.114,  -0.637,   0.376)  ( 0.59,  0.07,  0.02)
173:     angle   (  4.279,  -5.791,  14.230)  (  4.279,  -5.789,  14.232)  ( 0.01,  0.04,  0.01)
173:     torsion (  0.003,   0.027,   0.062)  (  0.003,   0.027,   0.062)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.227,   3.093,  -5.770)  (  0.227,   3.093,  -5.770)  ( 0.00,  0.00,  0.00)
173:     electro (  0.644,   0.667,   1.176)  (  0.644,   0.667,   1.176)  ( 0.00,  0.00,  0.00)
173: ok 26 # gradients 
173: ok 27 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (102.152, -13.405,  11.295)  (102.186, -13.368,  11.304)  ( 0.03,  0.27,  0.08)
173:     bond    ( 65.430,  20.212,  18.860)  ( 65.454,  20.239,  18.862)  ( 0.04,  0.13,  0.01)
173:     angle   ( 64.222, -43.610,   6.621)  ( 64.231, -43.601,   6.623)  ( 0.01,  0.02,  0.03)
173:     torsion (  2.285,   1.864,  -9.889)  (  2.285,   1.864,  -9.885)  ( 0.01,  0.01,  0.04)
173:     oop     (  0.189,   0.204,  -0.875)  (  0.189,   0.204,  -0.875)  ( 0.00,  0.00,  0.04)
173:     vdw     (-29.752,   8.101,  -3.444)  (-29.752,   8.101,  -3.444)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.221,  -0.175,   0.022)  ( -0.221,  -0.175,   0.022)  ( 0.00,  0.00,  0.00)
173:  2       (-25.215,  10.780,  89.099)  (-25.178,  10.817,  89.109)  ( 0.15,  0.34,  0.01)
173:     bond    ( 34.767, -49.738,   0.175)  ( 34.796, -49.714,   0.179)  ( 0.08,  0.05,  0.05)
173:     angle   (-51.090,  50.603,  44.964)  (-51.083,  50.614,  44.966)  ( 0.02,  0.02,  0.00)
173:     torsion ( -1.548,  -4.298,  27.297)  ( -1.548,  -4.297,  27.301)  ( 0.01,  0.00,  0.02)
173:     oop     ( -0.242,  -0.222,   0.947)  ( -0.242,  -0.222,   0.947)  ( 0.00,  0.00,  0.01)
173:     vdw     ( -7.740,  18.047,  15.318)  ( -7.740,  18.048,  15.318)  ( 0.00,  0.01,  0.00)
173:     electro (  0.639,  -3.612,   0.399)  (  0.639,  -3.612,   0.399)  ( 0.00,  0.00,  0.00)
173:  3       (-83.042, -36.318, -41.768)  (-83.007, -36.282, -41.759)  ( 0.04,  0.10,  0.02)
173:     bond    (-76.007, -41.054, -29.725)  (-75.982, -41.028, -29.723)  ( 0.03,  0.07,  0.01)
173:     angle   (-38.446, -15.726,  -3.780)  (-38.436, -15.717,  -3.778)  ( 0.02,  0.06,  0.06)
173:     torsion (  5.065,   4.006, -19.830)  (  5.065,   4.006, -19.826)  ( 0.01,  0.00,  0.02)
173:     oop     (  0.501,   0.462,  -1.986)  (  0.501,   0.462,  -1.986)  ( 0.00,  0.00,  0.02)
173:     vdw     ( 25.385,  16.189,  13.419)  ( 25.385,  16.190,  13.419)  ( 0.00,  0.00,  0.00)
173:     electro (  0.460,  -0.195,   0.134)  (  0.460,  -0.195,   0.134)  ( 0.00,  0.00,  0.00)
173:  4       (-42.844, -11.172, -19.259)  (-42.811, -11.135, -19.250)  ( 0.08,  0.33,  0.05)
173:     bond    (-90.014,  22.518, -18.593)  (-89.992,  22.547, -18.589)  ( 0.02,  0.13,  0.02)
173:     angle   ( 16.795, -23.416,  -0.140)  ( 16.805, -23.409,  -0.139)  ( 0.06,  0.03,  0.02)
173:     torsion (  2.668,   4.258,  -3.869)  (  2.669,   4.258,  -3.865)  ( 0.01,  0.01,  0.10)
173:     oop     ( -0.169,  -0.157,   0.678)  ( -0.169,  -0.157,   0.678)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 26.874, -14.207,   2.581)  ( 26.875, -14.207,   2.581)  ( 0.00,  0.00,  0.00)
173:     electro (  1.002,  -0.167,   0.084)  (  1.002,  -0.167,   0.084)  ( 0.00,  0.00,  0.00)
173:  5       ( -1.994,  38.051,  22.985)  ( -1.964,  38.071,  22.992)  ( 1.50,  0.05,  0.03)
173:     bond    ( 11.228,  60.887,  19.043)  ( 11.255,  60.898,  19.046)  ( 0.25,  0.02,  0.02)
173:     angle   ( -4.676,   9.306,   0.092)  ( -4.674,   9.314,   0.093)  ( 0.04,  0.09,  0.00)
173:     torsion ( -3.291,  -3.459,  13.086)  ( -3.290,  -3.459,  13.089)  ( 0.01,  0.01,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.357, -25.900,  -8.663)  ( -5.357, -25.899,  -8.663)  ( 0.01,  0.00,  0.00)
173:     electro (  0.102,  -2.783,  -0.572)  (  0.102,  -2.783,  -0.572)  ( 0.00,  0.00,  0.00)
173:  6       ( -4.575, -67.943, -17.081)  ( -4.541, -67.907, -17.072)  ( 0.76,  0.05,  0.05)
173:     bond    ( 45.081, -31.332,   3.011)  ( 45.106, -31.304,   3.013)  ( 0.05,  0.09,  0.08)
173:     angle   (-31.327, -14.947,  -9.606)  (-31.318, -14.939,  -9.605)  ( 0.03,  0.05,  0.01)
173:     torsion (  0.284,   0.309,  -0.353)  (  0.285,   0.309,  -0.348)  ( 0.01,  0.01,  0.17)
173:     oop     ( -0.064,  -0.069,   0.294)  ( -0.064,  -0.069,   0.294)  ( 0.00,  0.00,  0.00)
173:     vdw     (-18.405, -22.065, -10.583)  (-18.404, -22.064, -10.583)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.145,   0.160,   0.156)  ( -0.145,   0.160,   0.156)  ( 0.00,  0.00,  0.00)
173:  7       ( 36.833, -39.537,  19.970)  ( 36.859, -39.512,  19.992)  ( 0.07,  0.06,  0.11)
173:     bond    ( 32.571, -25.330,  -0.204)  ( 32.588, -25.312,  -0.188)  ( 0.05,  0.07,  0.33)
173:     angle   (  4.414,  -0.479,  25.826)  (  4.421,  -0.472,  25.832)  ( 0.18,  0.32,  0.02)
173:     torsion (  0.416,   2.210,  -1.047)  (  0.417,   2.211,  -1.046)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.704, -15.258,  -4.685)  ( -0.704, -15.258,  -4.685)  ( 0.00,  0.00,  0.00)
173:     electro (  0.137,  -0.680,   0.080)  (  0.137,  -0.680,   0.080)  ( 0.00,  0.00,  0.00)
173:  8       ( 21.971, -40.328, -61.277)  ( 21.978, -40.307, -61.265)  ( 0.03,  0.05,  0.02)
173:     bond    ( -5.929, -10.019,  18.365)  ( -5.928, -10.000,  18.373)  ( 0.02,  0.19,  0.05)
173:     angle   ( 46.107, -45.206, -72.265)  ( 46.112, -45.204, -72.261)  ( 0.01,  0.00,  0.00)
173:     torsion ( -8.013,  -0.359,  -6.006)  ( -8.014,  -0.359,  -6.005)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -8.589,  14.436,  -2.931)  ( -8.588,  14.436,  -2.931)  ( 0.01,  0.00,  0.00)
173:     electro ( -1.604,   0.820,   1.559)  ( -1.604,   0.820,   1.559)  ( 0.00,  0.00,  0.00)
173:  9       ( -8.675, 118.199, -17.422)  ( -8.650, 118.226, -17.396)  ( 0.29,  0.02,  0.15)
173:     bond    (  8.295,  10.899, -26.302)  (  8.313,  10.916, -26.283)  ( 0.22,  0.16,  0.07)
173:     angle   (-17.304,  94.705,  14.018)  (-17.297,  94.714,  14.026)  ( 0.04,  0.01,  0.06)
173:     torsion (  3.994,  -0.046,   1.165)  (  3.994,  -0.046,   1.165)  ( 0.01,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.911,  12.378,  -5.954)  ( -3.910,  12.379,  -5.954)  ( 0.00,  0.00,  0.00)
173:     electro (  0.250,   0.263,  -0.349)  (  0.250,   0.263,  -0.349)  ( 0.00,  0.00,  0.00)
173: 10       ( 58.847,  35.904,  35.967)  ( 58.875,  35.931,  35.993)  ( 0.05,  0.08,  0.07)
173:     bond    ( 21.967,  25.002,   8.944)  ( 21.986,  25.020,   8.963)  ( 0.08,  0.07,  0.21)
173:     angle   ( 24.422,   6.592,  14.649)  ( 24.431,   6.601,  14.655)  ( 0.03,  0.13,  0.04)
173:     torsion ( -1.003,  -0.914,   4.217)  ( -1.003,  -0.914,   4.217)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.150,  -0.150,   0.657)  ( -0.150,  -0.150,   0.657)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.392,   5.370,   7.463)  ( 13.393,   5.371,   7.463)  ( 0.00,  0.01,  0.00)
173:     electro (  0.218,   0.004,   0.037)  (  0.218,   0.004,   0.037)  ( 0.00,  0.00,  0.00)
173: 11       (-73.816,  15.491,  -8.358)  (-73.788,  15.518,  -8.332)  ( 0.04,  0.18,  0.31)
173:     bond    (-49.401,  16.876,  -5.239)  (-49.382,  16.894,  -5.220)  ( 0.04,  0.11,  0.36)
173:     angle   (-11.770,   5.854,   2.961)  (-11.762,   5.863,   2.968)  ( 0.07,  0.15,  0.22)
173:     torsion (  0.420,   0.413,  -1.922)  (  0.420,   0.413,  -1.921)  ( 0.00,  0.00,  0.04)
173:     oop     ( -0.065,  -0.067,   0.286)  ( -0.065,  -0.067,   0.286)  ( 0.00,  0.00,  0.00)
173:     vdw     (-12.585,  -7.315,  -3.895)  (-12.585,  -7.314,  -3.895)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.415,  -0.270,  -0.549)  ( -0.415,  -0.270,  -0.549)  ( 0.00,  0.00,  0.00)
173: 12       (-206.624, -89.261,  -8.571)  (-206.581, -89.223,  -8.564)  ( 0.02,  0.04,  0.08)
173:     bond    (-70.340,  34.087, -12.502)  (-70.305,  34.112, -12.501)  ( 0.05,  0.07,  0.01)
173:     angle   (-122.367, -156.953,   9.517)  (-122.358, -156.940,   9.516)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.121,   0.153,   0.978)  ( -0.121,   0.154,   0.984)  ( 0.00,  0.00,  0.58)
173:     oop     (  0.003,  -0.005,  -0.029)  (  0.003,  -0.005,  -0.029)  ( 0.00,  0.00,  0.00)
173:     vdw     (-13.551,  32.310,  -6.205)  (-13.551,  32.310,  -6.205)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.249,   1.146,  -0.329)  ( -0.249,   1.146,  -0.329)  ( 0.00,  0.00,  0.00)
173: 13       (-31.232, -39.660,   2.568)  (-31.196, -39.624,   2.575)  ( 0.12,  0.09,  0.29)
173:     bond    ( 14.492, -68.239,  12.073)  ( 14.520, -68.213,  12.074)  ( 0.19,  0.04,  0.01)
173:     angle   (-55.628,  15.059,  -8.063)  (-55.620,  15.068,  -8.063)  ( 0.02,  0.06,  0.00)
173:     torsion (  0.060,  -0.095,  -0.580)  (  0.060,  -0.095,  -0.574)  ( 0.00,  0.00,  0.34)
173:     oop     ( -0.011,   0.016,   0.103)  ( -0.011,   0.016,   0.104)  ( 0.00,  0.00,  0.01)
173:     vdw     ( 10.146,  13.486,  -0.949)  ( 10.146,  13.486,  -0.949)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.291,   0.114,  -0.015)  ( -0.291,   0.114,  -0.015)  ( 0.00,  0.00,  0.00)
173: 14       ( 16.764,  -3.594,   1.930)  ( 16.799,  -3.556,   1.938)  ( 0.21,  1.04,  0.42)
173:     bond    (-72.072, -22.005,  -4.451)  (-72.048, -21.975,  -4.449)  ( 0.03,  0.14,  0.04)
173:     angle   ( 55.376,  21.622,   2.672)  ( 55.386,  21.630,   2.672)  ( 0.02,  0.03,  0.01)
173:     torsion (  0.028,  -0.040,  -0.269)  (  0.028,  -0.040,  -0.263)  ( 0.00,  0.00,  0.15)
173:     oop     (  0.008,  -0.012,  -0.076)  (  0.008,  -0.012,  -0.075)  ( 0.00,  0.00,  0.01)
173:     vdw     ( 33.453,  -3.053,   4.002)  ( 33.454,  -3.053,   4.002)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.029,  -0.106,   0.051)  ( -0.029,  -0.106,   0.051)  ( 0.00,  0.00,  0.00)
173: 15       (  8.467, -15.615,   2.941)  (  8.505, -15.580,   2.949)  ( 0.44,  0.22,  0.27)
173:     bond    ( -2.650,  74.579, -11.566)  ( -2.621,  74.604, -11.565)  ( 1.11,  0.03,  0.01)
173:     angle   ( -2.162, -58.460,   8.600)  ( -2.154, -58.451,   8.601)  ( 0.36,  0.02,  0.00)
173:     torsion (  0.050,  -0.070,  -0.477)  (  0.050,  -0.070,  -0.471)  ( 0.00,  0.00,  0.26)
173:     oop     ( -0.005,   0.008,   0.050)  ( -0.005,   0.008,   0.051)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 12.804, -31.465,   6.212)  ( 12.805, -31.464,   6.211)  ( 0.00,  0.00,  0.00)
173:     electro (  0.430,  -0.207,   0.121)  (  0.430,  -0.207,   0.121)  ( 0.00,  0.00,  0.00)
173: 16       ( 63.763,  54.797,  -0.993)  ( 63.799,  54.833,  -0.985)  ( 0.06,  0.06,  0.79)
173:     bond    ( 71.764,  10.866,   5.920)  ( 71.791,  10.892,   5.922)  ( 0.04,  0.24,  0.02)
173:     angle   (  1.899,  57.441,  -7.724)  (  1.908,  57.450,  -7.724)  ( 0.47,  0.02,  0.00)
173:     torsion (  0.025,  -0.072,  -0.434)  (  0.025,  -0.072,  -0.428)  ( 0.00,  0.00,  0.26)
173:     oop     ( -0.014,   0.020,   0.131)  ( -0.014,   0.020,   0.131)  ( 0.00,  0.00,  0.01)
173:     vdw     ( -9.891, -13.625,   1.091)  ( -9.891, -13.625,   1.091)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.021,   0.167,   0.022)  ( -0.021,   0.167,   0.022)  ( 0.00,  0.00,  0.00)
173: 17       (-104.398, 269.781, -48.554)  (-104.358, 269.821, -48.545)  ( 0.04,  0.01,  0.02)
173:     bond    (-121.876,  77.612, -22.958)  (-121.848,  77.645, -22.956)  ( 0.02,  0.04,  0.01)
173:     angle   ( 52.475, 188.373, -23.225)  ( 52.487, 188.380, -23.225)  ( 0.02,  0.00,  0.00)
173:     torsion ( -0.147,   0.296,   1.932)  ( -0.147,   0.296,   1.938)  ( 0.00,  0.00,  0.34)
173:     oop     (  0.005,  -0.007,  -0.048)  (  0.005,  -0.007,  -0.048)  ( 0.00,  0.00,  0.00)
173:     vdw     (-34.504,   3.961,  -4.024)  (-34.504,   3.961,  -4.024)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.351,  -0.454,  -0.231)  ( -0.351,  -0.454,  -0.231)  ( 0.00,  0.00,  0.00)
173: 18       (266.899,  64.087,  16.746)  (266.934,  64.124,  16.749)  ( 0.01,  0.06,  0.02)
173:     bond    (132.317,  -0.927,  13.697)  (132.343,  -0.898,  13.698)  ( 0.02,  2.68,  0.01)
173:     angle   (102.842, 120.385,  -6.104)  (102.851, 120.393,  -6.104)  ( 0.01,  0.01,  0.01)
173:     torsion ( -0.378,   0.601,   4.209)  ( -0.378,   0.601,   4.211)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 28.720, -49.200,   2.599)  ( 28.720, -49.199,   2.599)  ( 0.00,  0.00,  0.00)
173:     electro (  3.398,  -6.773,   2.345)  (  3.398,  -6.773,   2.345)  ( 0.00,  0.00,  0.00)
173: 19       (-1538.742, 1188.788, -276.653)  (-1538.710, 1188.828, -276.640)  ( 0.00,  0.00,  0.00)
173:     bond    (-1545.879, 1191.431, -274.504)  (-1545.847, 1191.469, -274.493)  ( 0.00,  0.00,  0.00)
173:     angle   (  1.487,  -4.525,  -0.024)  (  1.487,  -4.523,  -0.023)  ( 0.01,  0.05,  0.00)
173:     torsion (  2.548,   2.036,   1.544)  (  2.548,   2.036,   1.545)  ( 0.00,  0.00,  0.07)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.143,  -0.004,  -2.932)  (  4.144,  -0.004,  -2.932)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.041,  -0.150,  -0.737)  ( -1.041,  -0.150,  -0.737)  ( 0.00,  0.00,  0.00)
173: 20       ( 86.436, 706.025, -101.088)  ( 86.458, 706.051, -101.081)  ( 0.03,  0.00,  0.01)
173:     bond    (151.196, 878.960, -118.276)  (151.217, 878.983, -118.271)  ( 0.01,  0.00,  0.00)
173:     angle   (-67.603, -173.081,  19.919)  (-67.602, -173.079,  19.919)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.274,  -0.460,  -3.000)  (  0.274,  -0.460,  -2.998)  ( 0.00,  0.00,  0.06)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.533,  -0.331,  -1.224)  (  1.533,  -0.331,  -1.224)  ( 0.00,  0.00,  0.00)
173:     electro (  1.035,   0.938,   1.494)  (  1.035,   0.938,   1.494)  ( 0.00,  0.00,  0.00)
173: 21       (1495.435, -2134.121, 408.407)  (1495.458, -2134.091, 408.423)  ( 0.00,  0.00,  0.00)
173:     bond    (1489.384, -2120.756, 422.184)  (1489.406, -2120.728, 422.199)  ( 0.00,  0.00,  0.00)
173:     angle   (  4.342,  -5.879, -12.450)  (  4.342,  -5.877, -12.449)  ( 0.01,  0.02,  0.01)
173:     torsion (  1.876,  -6.333,   0.144)  (  1.876,  -6.333,   0.145)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.735,  -1.231,  -1.506)  (  2.735,  -1.231,  -1.506)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.902,   0.078,   0.035)  ( -2.902,   0.078,   0.035)  ( 0.00,  0.00,  0.00)
173: 22       (-51.923,  27.002,   1.657)  (-51.916,  27.014,   1.659)  ( 0.01,  0.05,  0.06)
173:     bond    (-20.900, -26.742,  -4.766)  (-20.893, -26.730,  -4.766)  ( 0.03,  0.04,  0.01)
173:     angle   ( -5.057,   1.912,  11.443)  ( -5.057,   1.912,  11.444)  ( 0.00,  0.00,  0.01)
173:     torsion ( -3.586,   3.178,  -2.103)  ( -3.586,   3.178,  -2.103)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-31.069,  49.001,  -3.748)  (-31.068,  49.002,  -3.748)  ( 0.00,  0.00,  0.00)
173:     electro (  8.688,  -0.348,   0.831)  (  8.688,  -0.348,   0.831)  ( 0.00,  0.00,  0.00)
173: 23       ( -3.878,   2.588,  -1.893)  ( -3.870,   2.596,  -1.891)  ( 0.23,  0.31,  0.13)
173:     bond    ( -0.574,  -0.525,  -0.252)  ( -0.566,  -0.519,  -0.250)  ( 0.40,  0.31,  0.03)
173:     angle   ( -5.635,   6.083,   0.123)  ( -5.633,   6.085,   0.123)  ( 0.03,  0.03,  0.00)
173:     torsion (  0.329,   0.326,  -1.421)  (  0.329,   0.326,  -1.420)  ( 0.00,  0.00,  0.07)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.425,  -3.472,  -0.465)  (  2.425,  -3.472,  -0.465)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.424,   0.176,   0.122)  ( -0.424,   0.176,   0.122)  ( 0.00,  0.00,  0.00)
173: 24       (  7.995,   5.188,  -8.011)  (  7.998,   5.202,  -8.008)  ( 0.04,  0.26,  0.03)
173:     bond    (  1.778,   9.862,  -1.175)  (  1.779,   9.875,  -1.175)  ( 0.03,  0.14,  0.02)
173:     angle   (  5.650,  -2.229, -10.182)  (  5.652,  -2.229, -10.180)  ( 0.04,  0.01,  0.02)
173:     torsion ( -3.745,   0.362,  -2.628)  ( -3.745,   0.362,  -2.628)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.871,  -2.924,   6.832)  (  3.871,  -2.924,   6.832)  ( 0.01,  0.00,  0.00)
173:     electro (  0.441,   0.118,  -0.859)  (  0.441,   0.118,  -0.859)  ( 0.00,  0.00,  0.00)
173: 25       (  3.805,   6.261,  -9.494)  (  3.810,   6.265,  -9.483)  ( 0.15,  0.06,  0.11)
173:     bond    ( -0.049,  -0.029,  -0.085)  ( -0.046,  -0.027,  -0.075)  ( 0.02,  0.00,  0.08)
173:     angle   ( -0.551,  24.710,  -8.633)  ( -0.549,  24.712,  -8.632)  ( 0.12,  0.01,  0.01)
173:     torsion (  1.574,  -4.084,   0.532)  (  1.574,  -4.084,   0.532)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.456, -13.791,  -0.063)  (  2.456, -13.791,  -0.063)  ( 0.00,  0.00,  0.00)
173:     electro (  0.375,  -0.545,  -1.244)  (  0.375,  -0.545,  -1.244)  ( 0.00,  0.00,  0.00)
173: 26       ( -4.871, -15.773,  15.087)  ( -4.869, -15.767,  15.097)  ( 0.05,  0.04,  0.07)
173:     bond    ( -2.603,   5.540,   8.677)  ( -2.602,   5.544,   8.687)  ( 0.03,  0.07,  0.11)
173:     angle   ( -3.041, -32.251,  19.671)  ( -3.039, -32.249,  19.672)  ( 0.06,  0.01,  0.00)
173:     torsion ( -1.919,   0.000,  -0.575)  ( -1.919,   0.000,  -0.575)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.187,  10.150, -11.492)  (  2.187,  10.150, -11.491)  ( 0.00,  0.00,  0.00)
173:     electro (  0.505,   0.787,  -1.195)  (  0.505,   0.787,  -1.195)  ( 0.00,  0.00,  0.00)
173: 27       (  1.735,  -0.888,   2.081)  (  1.744,  -0.882,   2.084)  ( 0.55,  0.54,  0.14)
173:     bond    (  2.163,  -1.595,   0.593)  (  2.172,  -1.591,   0.594)  ( 0.40,  0.29,  0.04)
173:     angle   ( -1.176,  -1.400,   0.551)  ( -1.175,  -1.398,   0.553)  ( 0.07,  0.10,  0.13)
173:     torsion (  0.730,   1.478,   1.289)  (  0.730,   1.478,   1.289)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.029,  -0.328,   0.071)  ( -0.029,  -0.328,   0.071)  ( 0.00,  0.00,  0.00)
173:     electro (  0.046,   0.956,  -0.422)  (  0.046,   0.956,  -0.422)  ( 0.00,  0.00,  0.00)
173: 28       (  0.954,  -5.346,  -0.633)  (  0.963,  -5.340,  -0.630)  ( 0.87,  0.12,  0.21)
173:     bond    ( -2.542,  -1.968,  -0.836)  ( -2.534,  -1.963,  -0.835)  ( 0.32,  0.25,  0.08)
173:     angle   (  2.418,  -3.758,   1.489)  (  2.418,  -3.757,   1.492)  ( 0.04,  0.04,  0.16)
173:     torsion (  0.984,  -1.067,  -0.477)  (  0.984,  -1.067,  -0.477)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.212,   0.467,  -0.324)  ( -0.212,   0.467,  -0.324)  ( 0.00,  0.00,  0.00)
173:     electro (  0.307,   0.980,  -0.486)  (  0.307,   0.980,  -0.486)  ( 0.00,  0.00,  0.00)
173: 29       ( -2.244,   1.339,  -9.097)  ( -2.236,   1.344,  -9.091)  ( 0.34,  0.43,  0.06)
173:     bond    ( -1.127,   0.796,  -0.929)  ( -1.120,   0.799,  -0.925)  ( 0.57,  0.26,  0.41)
173:     angle   ( -2.303, -19.066, -13.691)  ( -2.302, -19.064, -13.690)  ( 0.05,  0.01,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.469,  18.917,   5.895)  (  1.469,  18.918,   5.895)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.283,   0.691,  -0.371)  ( -0.283,   0.691,  -0.371)  ( 0.00,  0.00,  0.00)
173: 30       (  0.093,  -0.960,   8.322)  (  0.098,  -0.956,   8.332)  ( 0.05,  0.39,  0.12)
173:     bond    ( -3.132,  -2.734,   5.362)  ( -3.129,  -2.732,   5.371)  ( 0.10,  0.08,  0.17)
173:     angle   (  3.096,   1.352,   2.493)  (  3.098,   1.354,   2.493)  ( 0.06,  0.13,  0.04)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.323,   0.789,   0.324)  (  0.323,   0.789,   0.324)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.194,  -0.368,   0.143)  ( -0.194,  -0.368,   0.143)  ( 0.00,  0.00,  0.00)
173: 31       (  1.164,  -3.174,  -9.797)  (  1.168,  -3.165,  -9.791)  ( 0.37,  0.27,  0.06)
173:     bond    (  2.928,  -6.193,  -4.835)  (  2.929,  -6.186,  -4.831)  ( 0.06,  0.12,  0.10)
173:     angle   (-14.636,   2.588, -12.191)  (-14.634,   2.589, -12.190)  ( 0.01,  0.04,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 14.644,   0.498,   7.769)  ( 14.645,   0.498,   7.769)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.773,  -0.066,  -0.540)  ( -1.773,  -0.066,  -0.540)  ( 0.00,  0.00,  0.00)
173: 32       (  8.966,   3.718,  -1.249)  (  8.973,   3.727,  -1.247)  ( 0.08,  0.24,  0.18)
173:     bond    (  5.952,   6.761,   1.241)  (  5.959,   6.769,   1.242)  ( 0.10,  0.12,  0.02)
173:     angle   (  9.189,  -7.564,  -2.877)  (  9.190,  -7.563,  -2.875)  ( 0.01,  0.01,  0.07)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.465,   3.912,   0.042)  ( -6.465,   3.912,   0.042)  ( 0.00,  0.00,  0.00)
173:     electro (  0.289,   0.609,   0.344)  (  0.289,   0.609,   0.344)  ( 0.00,  0.00,  0.00)
173: 33       (  4.858,   2.418,  -8.841)  (  4.862,   2.423,  -8.831)  ( 0.07,  0.22,  0.11)
173:     bond    (  2.541,  -4.385,  -6.934)  (  2.542,  -4.381,  -6.924)  ( 0.05,  0.08,  0.13)
173:     angle   (  6.028,   7.272,  -2.389)  (  6.030,   7.274,  -2.388)  ( 0.03,  0.02,  0.03)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -5.260,  -1.149,   0.216)  ( -5.260,  -1.149,   0.216)  ( 0.00,  0.00,  0.00)
173:     electro (  1.549,   0.680,   0.265)  (  1.549,   0.680,   0.265)  ( 0.00,  0.00,  0.00)
173: 34       ( -0.628,   0.434,   8.528)  ( -0.625,   0.440,   8.538)  ( 0.16,  0.28,  0.11)
173:     bond    (  0.251,  -3.966,   5.301)  (  0.251,  -3.961,   5.311)  ( 0.00,  0.13,  0.17)
173:     angle   (  0.170,   4.417,   3.287)  (  0.173,   4.419,   3.287)  ( 0.04,  0.03,  0.02)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.706,  -0.232,  -1.036)  ( -1.706,  -0.232,  -1.036)  ( 0.00,  0.00,  0.00)
173:     electro (  0.657,   0.214,   0.976)  (  0.657,   0.214,   0.976)  ( 0.00,  0.00,  0.00)
173: 35       (  8.248,   6.901,  -0.584)  (  8.255,   6.911,  -0.583)  ( 0.09,  0.15,  0.09)
173:     bond    (  5.924,   8.036,  -0.594)  (  5.929,   8.045,  -0.594)  ( 0.08,  0.12,  0.00)
173:     angle   (  1.921,  -1.386,   0.451)  (  1.924,  -1.384,   0.451)  ( 0.12,  0.08,  0.00)
173:     torsion (  0.038,  -0.054,  -0.357)  (  0.038,  -0.054,  -0.355)  ( 0.00,  0.00,  0.05)
173:     oop     (  0.004,  -0.006,  -0.040)  (  0.004,  -0.006,  -0.040)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.584,   0.227,   0.036)  (  0.584,   0.227,   0.036)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.224,   0.084,  -0.081)  ( -0.224,   0.084,  -0.081)  ( 0.00,  0.00,  0.00)
173: 36       (-11.234,   3.388,  -2.136)  (-11.220,   3.392,  -2.134)  ( 0.13,  0.11,  0.08)
173:     bond    (-12.281,   1.560,  -1.568)  (-12.267,   1.560,  -1.568)  ( 0.11,  0.02,  0.02)
173:     angle   (  0.218,   1.503,  -0.206)  (  0.218,   1.506,  -0.206)  ( 0.00,  0.22,  0.00)
173:     torsion (  0.040,  -0.057,  -0.375)  (  0.040,  -0.057,  -0.373)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.007)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.374,   0.156,   0.019)  (  0.374,   0.156,   0.019)  ( 0.00,  0.00,  0.00)
173:     electro (  0.414,   0.226,  -0.013)  (  0.414,   0.226,  -0.013)  ( 0.00,  0.00,  0.00)
173: 37       ( -7.663,   9.470,  -2.292)  ( -7.657,   9.482,  -2.290)  ( 0.07,  0.13,  0.08)
173:     bond    ( -5.129,  11.363,  -2.288)  ( -5.126,  11.374,  -2.287)  ( 0.05,  0.10,  0.02)
173:     angle   ( -2.392,  -1.097,  -0.098)  ( -2.389,  -1.097,  -0.098)  ( 0.12,  0.05,  0.00)
173:     torsion ( -0.006,   0.008,   0.049)  ( -0.006,   0.008,   0.051)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.004,  -0.005,  -0.036)  (  0.004,  -0.005,  -0.036)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.035,  -0.400,   0.057)  ( -0.035,  -0.400,   0.057)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.105,  -0.398,   0.023)  ( -0.105,  -0.398,   0.023)  ( 0.00,  0.00,  0.00)
173: 38       ( -7.103,  -7.577,   1.149)  ( -7.095,  -7.567,   1.150)  ( 0.10,  0.14,  0.13)
173:     bond    ( -6.172,  -8.092,   0.595)  ( -6.167,  -8.083,   0.595)  ( 0.09,  0.11,  0.00)
173:     angle   ( -0.200,   0.150,   0.009)  ( -0.197,   0.151,   0.009)  ( 0.04,  0.02,  0.00)
173:     torsion ( -0.081,   0.120,   0.791)  ( -0.081,   0.120,   0.793)  ( 0.00,  0.00,  0.11)
173:     oop     (  0.007,  -0.010,  -0.065)  (  0.007,  -0.010,  -0.065)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.021,  -0.614,   0.092)  ( -0.021,  -0.614,   0.092)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.636,   0.869,  -0.272)  ( -0.636,   0.869,  -0.272)  ( 0.00,  0.00,  0.00)
173: 39       ( 14.544, -46.771,   5.984)  ( 14.549, -46.755,   5.985)  ( 0.03,  0.03,  0.02)
173:     bond    (-11.935, -42.857,   4.341)  (-11.933, -42.841,   4.341)  ( 0.01,  0.04,  0.01)
173:     angle   ( 34.112,  -9.074,   4.235)  ( 34.116,  -9.073,   4.235)  ( 0.01,  0.00,  0.00)
173:     torsion (  0.147,  -0.213,  -1.697)  (  0.147,  -0.213,  -1.696)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.255,  -1.843,   0.086)  (  2.255,  -1.843,   0.086)  ( 0.00,  0.00,  0.00)
173:     electro (-10.036,   7.216,  -0.981)  (-10.036,   7.216,  -0.980)  ( 0.00,  0.00,  0.00)
173: ok 28 # gradients 
173: ok 29 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (-266.482, -479.694, -43.813)  (-266.456, -479.664, -43.790)  ( 0.01,  0.01,  0.05)
173:     bond    (-76.378, -83.328,   5.828)  (-76.359, -83.306,   5.843)  ( 0.03,  0.03,  0.27)
173:     angle   (-184.516, -391.126, -46.098)  (-184.508, -391.119, -46.091)  ( 0.00,  0.00,  0.02)
173:     torsion (  1.060,  -0.726,   1.536)  (  1.060,  -0.726,   1.536)  ( 0.02,  0.01,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.793,  -4.720,  -5.317)  ( -6.793,  -4.720,  -5.317)  ( 0.00,  0.00,  0.00)
173:     electro (  0.145,   0.206,   0.239)  (  0.145,   0.206,   0.239)  ( 0.00,  0.00,  0.00)
173:  2       (-132.059,  49.062, 150.864)  (-132.031,  49.085, 150.890)  ( 0.02,  0.05,  0.02)
173:     bond    ( -1.376,  30.055, -80.272)  ( -1.356,  30.069, -80.253)  ( 1.43,  0.04,  0.02)
173:     angle   (-124.451,  16.569, 235.148)  (-124.442,  16.579, 235.155)  ( 0.01,  0.06,  0.00)
173:     torsion ( -2.945,  -0.838,  -1.648)  ( -2.945,  -0.837,  -1.648)  ( 0.01,  0.03,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.377,   3.420,  -2.472)  ( -3.377,   3.420,  -2.472)  ( 0.00,  0.00,  0.00)
173:     electro (  0.090,  -0.145,   0.108)  (  0.090,  -0.145,   0.108)  ( 0.00,  0.00,  0.00)
173:  3       (110.160, 148.761, -292.810)  (110.190, 148.785, -292.785)  ( 0.03,  0.02,  0.01)
173:     bond    (  8.731,  23.950, -81.012)  (  8.753,  23.968, -80.997)  ( 0.25,  0.07,  0.02)
173:     angle   (101.841,  71.301, -240.322)  (101.848,  71.307, -240.312)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.513,  51.059,  29.046)  (  0.513,  51.059,  29.046)  ( 0.00,  0.00,  0.00)
173:     oop     ( -2.509,   2.630,   4.705)  ( -2.509,   2.630,   4.704)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.594,  -0.021,  -5.411)  (  1.595,  -0.021,  -5.411)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.011,  -0.158,   0.186)  ( -0.011,  -0.158,   0.186)  ( 0.00,  0.00,  0.00)
173:  4       (-30.625, 274.618, 409.412)  (-30.601, 274.644, 409.441)  ( 0.08,  0.01,  0.01)
173:     bond    (-18.678,  45.805, 103.924)  (-18.662,  45.823, 103.946)  ( 0.09,  0.04,  0.02)
173:     angle   ( -9.785, 221.954, 301.672)  ( -9.776, 221.961, 301.679)  ( 0.08,  0.00,  0.00)
173:     torsion (  0.405,   0.933,  -0.441)  (  0.406,   0.934,  -0.440)  ( 0.01,  0.03,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.402,   6.262,   4.497)  ( -2.402,   6.263,   4.497)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.166,  -0.336,  -0.240)  ( -0.166,  -0.336,  -0.240)  ( 0.00,  0.00,  0.00)
173:  5       (-137.416, -531.065, -97.350)  (-137.384, -531.040, -97.333)  ( 0.02,  0.00,  0.02)
173:     bond    ( 88.506, -87.549,  -9.444)  ( 88.531, -87.530,  -9.433)  ( 0.03,  0.02,  0.12)
173:     angle   (-157.117, -341.106,  92.987)  (-157.111, -341.100,  92.994)  ( 0.00,  0.00,  0.01)
173:     torsion (-51.264, -122.036, -154.726)  (-51.263, -122.036, -154.727)  ( 0.00,  0.00,  0.00)
173:     oop     ( -1.611, -11.797, -24.093)  ( -1.610, -11.797, -24.093)  ( 0.01,  0.00,  0.00)
173:     vdw     (-15.854,  31.751,  -2.089)  (-15.853,  31.752,  -2.089)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.077,  -0.328,   0.014)  ( -0.077,  -0.328,   0.014)  ( 0.00,  0.00,  0.00)
173:  6       (245.381, 296.830,  31.668)  (245.414, 296.859,  31.682)  ( 0.01,  0.01,  0.04)
173:     bond    (-29.392, -55.954,  71.590)  (-29.364, -55.933,  71.598)  ( 0.09,  0.04,  0.01)
173:     angle   (185.102, 258.572, -102.084)  (185.107, 258.580, -102.079)  ( 0.00,  0.00,  0.00)
173:     torsion ( 62.393,  63.069,  66.961)  ( 62.393,  63.070,  66.961)  ( 0.00,  0.00,  0.00)
173:     oop     (  8.791,   9.410,  14.566)  (  8.791,   9.411,  14.567)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 18.952,  22.069, -19.310)  ( 18.952,  22.070, -19.310)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.465,  -0.337,  -0.055)  ( -0.465,  -0.337,  -0.055)  ( 0.00,  0.00,  0.00)
173:  7       (-401.813, -73.073,  28.170)  (-401.780, -73.042,  28.179)  ( 0.01,  0.04,  0.03)
173:     bond    (-149.923, -28.956,   2.127)  (-149.897, -28.932,   2.133)  ( 0.02,  0.08,  0.27)
173:     angle   (-208.356, -55.507,  -2.256)  (-208.351, -55.499,  -2.251)  ( 0.00,  0.01,  0.20)
173:     torsion (-70.028,  -4.287,  30.371)  (-70.028,  -4.286,  30.369)  ( 0.00,  0.00,  0.01)
173:     oop     (-12.729,   8.838,   8.229)  (-12.728,   8.838,   8.229)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 39.726,   6.305,  -9.508)  ( 39.727,   6.305,  -9.508)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.503,   0.533,  -0.794)  ( -0.503,   0.533,  -0.794)  ( 0.00,  0.00,  0.00)
173:  8       ( 89.558, -165.608, 378.995)  ( 89.583, -165.575, 379.011)  ( 0.03,  0.02,  0.00)
173:     bond    (-12.719, 127.733,  52.907)  (-12.701, 127.758,  52.919)  ( 0.14,  0.02,  0.02)
173:     angle   ( 59.540, -254.126, 333.740)  ( 59.549, -254.119, 333.744)  ( 0.01,  0.00,  0.00)
173:     torsion ( 16.921,   0.360, -13.615)  ( 16.921,   0.360, -13.616)  ( 0.00,  0.01,  0.01)
173:     oop     (  8.991,  -8.957,   3.518)  (  8.992,  -8.956,   3.518)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 17.205, -31.007,   3.025)  ( 17.205, -31.006,   3.025)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.381,   0.388,  -0.579)  ( -0.381,   0.388,  -0.579)  ( 0.00,  0.00,  0.00)
173:  9       (181.050, 212.936, -503.785)  (181.074, 212.952, -503.754)  ( 0.01,  0.01,  0.01)
173:     bond    ( 54.926,  21.639, -111.990)  ( 54.943,  21.649, -111.962)  ( 0.03,  0.05,  0.02)
173:     angle   (154.408, 215.364, -335.099)  (154.416, 215.371, -335.095)  ( 0.00,  0.00,  0.00)
173:     torsion (-22.776, -29.287, -77.090)  (-22.776, -29.288, -77.091)  ( 0.00,  0.00,  0.00)
173:     oop     ( 14.301,  11.997,  -6.900)  ( 14.301,  11.997,  -6.899)  ( 0.00,  0.00,  0.00)
173:     vdw     (-19.011,  -7.904,  28.441)  (-19.010,  -7.903,  28.441)  ( 0.00,  0.01,  0.00)
173:     electro ( -0.798,   1.127,  -1.148)  ( -0.798,   1.127,  -1.148)  ( 0.00,  0.00,  0.00)
173: 10       (-110.980, -89.621, 508.052)  (-110.951, -89.590, 508.066)  ( 0.03,  0.03,  0.00)
173:     bond    ( 59.114,  26.350,  -5.703)  ( 59.132,  26.376,  -5.692)  ( 0.03,  0.10,  0.19)
173:     angle   (-159.699, -148.196, 364.979)  (-159.690, -148.191, 364.982)  ( 0.01,  0.00,  0.00)
173:     torsion ( 26.353,  29.164, 110.319)  ( 26.353,  29.164, 110.319)  ( 0.00,  0.00,  0.00)
173:     oop     ( -4.165,   8.811,  20.079)  ( -4.165,   8.811,  20.079)  ( 0.00,  0.00,  0.00)
173:     vdw     (-32.950,  -5.653,  18.948)  (-32.949,  -5.652,  18.948)  ( 0.00,  0.00,  0.00)
173:     electro (  0.368,  -0.097,  -0.570)  (  0.368,  -0.097,  -0.570)  ( 0.00,  0.00,  0.00)
173: 11       ( 56.378,  -4.697, -170.713)  ( 56.403,  -4.667, -170.689)  ( 0.05,  0.64,  0.01)
173:     bond    (-90.846, -30.106,   8.396)  (-90.828, -30.087,   8.413)  ( 0.02,  0.07,  0.20)
173:     angle   (119.802,  13.861, -237.361)  (119.810,  13.871, -237.353)  ( 0.01,  0.07,  0.00)
173:     torsion ( 29.207,  14.568,  65.225)  ( 29.207,  14.568,  65.225)  ( 0.00,  0.00,  0.00)
173:     oop     ( -3.616,  -0.940,  -3.440)  ( -3.616,  -0.940,  -3.440)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.733,  -2.762,  -2.198)  (  1.733,  -2.762,  -2.198)  ( 0.00,  0.00,  0.00)
173:     electro (  0.097,   0.683,  -1.336)  (  0.097,   0.683,  -1.336)  ( 0.00,  0.00,  0.00)
173: 12       (180.244, -95.216, -388.464)  (180.269, -95.191, -388.435)  ( 0.01,  0.03,  0.01)
173:     bond    ( 50.891, -34.511, -102.084)  ( 50.909, -34.494, -102.063)  ( 0.04,  0.05,  0.02)
173:     angle   (129.592, -56.377, -281.676)  (129.599, -56.369, -281.668)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.461,   0.236,  -0.331)  ( -0.461,   0.236,  -0.331)  ( 0.01,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.263,  -4.446,  -3.428)  (  0.263,  -4.446,  -3.428)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.041,  -0.118,  -0.945)  ( -0.041,  -0.118,  -0.945)  ( 0.00,  0.00,  0.00)
173: 13       (177.159, -749.884, 357.327)  (177.174, -749.860, 357.355)  ( 0.01,  0.00,  0.01)
173:     bond    (-44.902, -130.055, 126.312)  (-44.885, -130.041, 126.343)  ( 0.04,  0.01,  0.02)
173:     angle   (216.616, -602.738, 233.791)  (216.618, -602.728, 233.790)  ( 0.00,  0.00,  0.00)
173:     torsion (  1.742, -11.601,  -8.917)  (  1.740, -11.601,  -8.919)  ( 0.13,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.733,  -4.260,   5.522)  (  3.734,  -4.260,   5.522)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.031,  -1.230,   0.619)  ( -0.031,  -1.230,   0.619)  ( 0.00,  0.00,  0.00)
173: 14       (-556.433, 545.313, 144.224)  (-556.456, 545.339, 144.202)  ( 0.00,  0.00,  0.02)
173:     bond    ( 81.201, 143.057, -90.224)  ( 81.207, 143.080, -90.217)  ( 0.01,  0.02,  0.01)
173:     angle   (-649.254, 403.667, 216.950)  (-649.268, 403.671, 216.934)  ( 0.00,  0.00,  0.01)
173:     torsion (  7.273,   2.361,  10.183)  (  7.258,   2.361,  10.170)  ( 0.20,  0.00,  0.13)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.736,  -4.191,   9.144)  (  4.736,  -4.190,   9.144)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.389,   0.418,  -1.830)  ( -0.389,   0.418,  -1.830)  ( 0.00,  0.00,  0.00)
173: 15       ( 76.350, 389.501, -193.205)  ( 76.358, 389.506, -193.187)  ( 0.01,  0.00,  0.01)
173:     bond    (-16.374,  -6.624, -25.478)  (-16.366,  -6.622, -25.460)  ( 0.05,  0.02,  0.07)
173:     angle   (100.420, 396.337, -167.640)  (100.420, 396.341, -167.641)  ( 0.00,  0.00,  0.00)
173:     torsion ( -2.927,   5.455,   0.463)  ( -2.927,   5.455,   0.463)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.167,   0.434,  -0.320)  ( -0.167,   0.434,  -0.319)  ( 0.00,  0.00,  0.00)
173:     electro ( -4.602,  -6.102,  -0.229)  ( -4.602,  -6.102,  -0.229)  ( 0.00,  0.00,  0.00)
173: 16       ( 78.937, 133.256, -20.896)  ( 78.950, 133.259, -20.894)  ( 0.02,  0.00,  0.01)
173:     bond    ( 57.660,  -9.711,  -1.294)  ( 57.674,  -9.710,  -1.293)  ( 0.02,  0.01,  0.02)
173:     angle   ( 24.213, 146.344, -19.060)  ( 24.213, 146.346, -19.059)  ( 0.00,  0.00,  0.01)
173:     torsion (  0.031,   0.059,   0.940)  (  0.031,   0.059,   0.940)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.860,  -3.336,  -1.462)  ( -2.860,  -3.336,  -1.462)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.107,  -0.099,  -0.020)  ( -0.107,  -0.099,  -0.020)  ( 0.00,  0.00,  0.00)
173: 17       ( 96.618, 110.889, -34.524)  ( 96.621, 110.897, -34.515)  ( 0.00,  0.01,  0.03)
173:     bond    (  0.060,  35.420,  37.564)  (  0.060,  35.427,  37.571)  ( 0.00,  0.02,  0.02)
173:     angle   ( 97.288,  76.300, -72.104)  ( 97.290,  76.301, -72.103)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.377,   0.283,  -0.266)  ( -0.377,   0.283,  -0.266)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.298,  -0.992,   0.292)  ( -0.298,  -0.992,   0.292)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.055,  -0.122,  -0.010)  ( -0.055,  -0.122,  -0.010)  ( 0.00,  0.00,  0.00)
173: 18       (152.532, 125.133,  49.263)  (152.534, 125.140,  49.273)  ( 0.00,  0.01,  0.02)
173:     bond    (  1.891,  37.018, -40.293)  (  1.892,  37.025, -40.286)  ( 0.01,  0.02,  0.02)
173:     angle   (152.656,  91.410,  91.178)  (152.658,  91.411,  91.179)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.516,  -0.455,  -0.394)  (  0.516,  -0.455,  -0.394)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.445,  -2.751,  -1.170)  ( -2.445,  -2.751,  -1.170)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.086,  -0.090,  -0.057)  ( -0.086,  -0.090,  -0.057)  ( 0.00,  0.00,  0.00)
173: 19       ( 33.598,  47.349,  77.603)  ( 33.602,  47.354,  77.613)  ( 0.01,  0.01,  0.01)
173:     bond    ( 19.727, -25.506,  49.933)  ( 19.729, -25.503,  49.943)  ( 0.01,  0.01,  0.02)
173:     angle   ( 16.295,  69.516,  29.060)  ( 16.297,  69.518,  29.061)  ( 0.01,  0.00,  0.00)
173:     torsion (  1.324,  -0.032,  -0.539)  (  1.324,  -0.032,  -0.539)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.715,   3.219,  -0.642)  ( -3.715,   3.219,  -0.642)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.034,   0.151,  -0.208)  ( -0.034,   0.151,  -0.208)  ( 0.00,  0.00,  0.00)
173: 20       ( 90.303,  55.220,  37.006)  ( 90.306,  55.226,  37.017)  ( 0.00,  0.01,  0.03)
173:     bond    (  0.943,  37.503,  57.728)  (  0.944,  37.507,  57.738)  ( 0.03,  0.01,  0.02)
173:     angle   ( 87.895,  16.775, -12.335)  ( 87.898,  16.776, -12.334)  ( 0.00,  0.01,  0.01)
173:     torsion (  0.010,   0.212,  -0.138)  (  0.010,   0.212,  -0.138)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.240,   0.796,  -8.184)  (  1.240,   0.796,  -8.184)  ( 0.02,  0.00,  0.00)
173:     electro (  0.215,  -0.065,  -0.065)  (  0.215,  -0.065,  -0.065)  ( 0.00,  0.00,  0.00)
173: 21       (-63.090, -43.510, -52.283)  (-63.085, -43.498, -52.281)  ( 0.01,  0.03,  0.00)
173:     bond    (-21.882, -53.796,   9.267)  (-21.880, -53.784,   9.268)  ( 0.01,  0.02,  0.01)
173:     angle   (-42.282,   6.801, -60.352)  (-42.280,   6.801, -60.350)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.135,   0.242,   1.726)  (  0.135,   0.242,   1.726)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.898,   3.181,  -2.868)  (  0.899,   3.181,  -2.868)  ( 0.02,  0.00,  0.00)
173:     electro (  0.041,   0.062,  -0.056)  (  0.041,   0.062,  -0.056)  ( 0.00,  0.00,  0.00)
173: 22       (-26.831, -85.474, -162.750)  (-26.818, -85.471, -162.747)  ( 0.05,  0.00,  0.00)
173:     bond    ( 48.229, -13.904, -17.372)  ( 48.241, -13.903, -17.370)  ( 0.02,  0.01,  0.01)
173:     angle   (-75.013, -75.597, -147.824)  (-75.012, -75.596, -147.822)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.039,   0.436,  -0.240)  (  0.039,   0.436,  -0.240)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.104,   3.478,   2.557)  ( -0.104,   3.478,   2.557)  ( 0.00,  0.00,  0.00)
173:     electro (  0.018,   0.113,   0.128)  (  0.018,   0.113,   0.128)  ( 0.00,  0.00,  0.00)
173: 23       ( 33.747, -52.410, -106.699)  ( 33.750, -52.404, -106.689)  ( 0.01,  0.01,  0.01)
173:     bond    (-16.946,  27.100, -50.783)  (-16.944,  27.103, -50.773)  ( 0.01,  0.01,  0.02)
173:     angle   ( 51.568, -82.556, -61.278)  ( 51.570, -82.553, -61.278)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.261,  -0.133,   0.016)  ( -0.261,  -0.133,   0.016)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.764,   3.067,   5.256)  ( -0.764,   3.067,   5.256)  ( 0.00,  0.00,  0.00)
173:     electro (  0.149,   0.111,   0.090)  (  0.149,   0.111,   0.090)  ( 0.00,  0.00,  0.00)
173: 24       ( 49.461, -53.866, -118.082)  ( 49.465, -53.854, -118.079)  ( 0.01,  0.02,  0.00)
173:     bond    (-19.199, -42.597,  -7.004)  (-19.197, -42.585,  -7.004)  ( 0.01,  0.03,  0.01)
173:     angle   ( 70.070, -12.969, -113.206)  ( 70.072, -12.969, -113.204)  ( 0.00,  0.00,  0.00)
173:     torsion (  0.095,  -0.051,   0.051)  (  0.095,  -0.051,   0.051)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.554,   1.700,   1.922)  ( -1.554,   1.700,   1.922)  ( 0.00,  0.00,  0.00)
173:     electro (  0.049,   0.051,   0.155)  (  0.049,   0.051,   0.155)  ( 0.00,  0.00,  0.00)
173: 25       (-25.952,  20.240,  -3.550)  (-25.947,  20.250,  -3.547)  ( 0.02,  0.05,  0.09)
173:     bond    (  1.906,   3.328,  -1.859)  (  1.909,   3.337,  -1.856)  ( 0.15,  0.26,  0.15)
173:     angle   (-23.590,   6.922, -11.820)  (-23.588,   6.923, -11.820)  ( 0.01,  0.01,  0.00)
173:     torsion ( -5.397,  12.560,  17.032)  ( -5.397,  12.561,  17.032)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.943,  -3.058,  -6.468)  ( -0.943,  -3.058,  -6.468)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.851,   0.130,  -0.420)  (  1.851,   0.130,  -0.420)  ( 0.00,  0.00,  0.00)
173:     electro (  0.220,   0.357,  -0.016)  (  0.220,   0.357,  -0.016)  ( 0.00,  0.00,  0.00)
173: 26       ( 48.248, -41.655, -49.930)  ( 48.259, -41.652, -49.928)  ( 0.02,  0.01,  0.00)
173:     bond    (  9.516,   2.414,   4.595)  (  9.527,   2.415,   4.598)  ( 0.12,  0.03,  0.06)
173:     angle   ( -4.786, -23.109,  22.053)  ( -4.786, -23.107,  22.054)  ( 0.00,  0.01,  0.00)
173:     torsion ( 38.058, -14.848, -71.060)  ( 38.058, -14.848, -71.061)  ( 0.00,  0.00,  0.00)
173:     oop     (  4.587,  -5.572,  -6.578)  (  4.587,  -5.572,  -6.578)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.374,  -0.651,   0.336)  (  0.374,  -0.651,   0.336)  ( 0.00,  0.00,  0.00)
173:     electro (  0.499,   0.111,   0.724)  (  0.499,   0.111,   0.724)  ( 0.00,  0.00,  0.00)
173: 27       (-40.977,   7.509,  19.060)  (-40.974,   7.509,  19.074)  ( 0.01,  0.00,  0.07)
173:     bond    (  1.028,  -0.156,   4.309)  (  1.029,  -0.156,   4.323)  ( 0.07,  0.00,  0.32)
173:     angle   (-13.326,  32.552,   4.350)  (-13.325,  32.553,   4.350)  ( 0.01,  0.00,  0.00)
173:     torsion (-20.425, -20.126,   4.133)  (-20.425, -20.127,   4.133)  ( 0.00,  0.00,  0.00)
173:     oop     ( -8.448,  -5.700,   1.805)  ( -8.448,  -5.700,   1.805)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.589,   1.362,   3.138)  ( -0.589,   1.362,   3.138)  ( 0.00,  0.00,  0.00)
173:     electro (  0.783,  -0.423,   1.325)  (  0.783,  -0.423,   1.325)  ( 0.00,  0.00,  0.00)
173: 28       (-97.293, 158.369, -77.769)  (-97.282, 158.372, -77.764)  ( 0.01,  0.00,  0.01)
173:     bond    ( -9.367,  -1.702,   6.347)  ( -9.357,  -1.702,   6.352)  ( 0.10,  0.02,  0.07)
173:     angle   (-80.364, 143.566, -79.911)  (-80.363, 143.569, -79.911)  ( 0.00,  0.00,  0.00)
173:     torsion ( -6.084,  24.848,  -2.304)  ( -6.084,  24.848,  -2.303)  ( 0.00,  0.00,  0.01)
173:     oop     ( -2.651,  -5.664,  -5.423)  ( -2.651,  -5.664,  -5.423)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.654,  -3.117,   3.458)  (  1.654,  -3.117,   3.458)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.480,   0.438,   0.064)  ( -0.480,   0.438,   0.064)  ( 0.00,  0.00,  0.00)
173: 29       ( 46.424,  30.854,  66.418)  ( 46.435,  30.860,  66.421)  ( 0.02,  0.02,  0.00)
173:     bond    ( 61.542,  36.037,   8.889)  ( 61.552,  36.041,   8.890)  ( 0.02,  0.01,  0.01)
173:     angle   (-12.493,   3.768,  71.212)  (-12.492,   3.770,  71.214)  ( 0.01,  0.05,  0.00)
173:     torsion (  0.930,  -1.144,  -1.798)  (  0.930,  -1.144,  -1.798)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.446,  -8.200, -12.840)  ( -4.446,  -8.199, -12.840)  ( 0.00,  0.00,  0.00)
173:     electro (  0.892,   0.393,   0.955)  (  0.892,   0.393,   0.955)  ( 0.00,  0.00,  0.00)
173: 30       (-48.239,  25.591, 117.949)  (-48.237,  25.605, 117.952)  ( 0.00,  0.05,  0.00)
173:     bond    ( -6.792,  53.013,   9.932)  ( -6.792,  53.026,   9.933)  ( 0.01,  0.03,  0.01)
173:     angle   (-43.464, -26.225, 110.281)  (-43.462, -26.225, 110.283)  ( 0.00,  0.00,  0.00)
173:     torsion (  1.154,   0.032,   0.620)  (  1.154,   0.032,   0.620)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.846,  -1.353,  -3.547)  (  0.846,  -1.353,  -3.547)  ( 0.00,  0.00,  0.00)
173:     electro (  0.017,   0.124,   0.662)  (  0.017,   0.124,   0.662)  ( 0.00,  0.00,  0.00)
173: 31       (-56.565,  43.312, 101.137)  (-56.560,  43.315, 101.148)  ( 0.01,  0.01,  0.01)
173:     bond    ( 23.742, -12.645,  46.900)  ( 23.745, -12.644,  46.910)  ( 0.01,  0.01,  0.02)
173:     angle   (-81.124,  57.327,  56.513)  (-81.122,  57.329,  56.514)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.177,  -0.309,   0.007)  ( -0.177,  -0.309,   0.007)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.958,  -1.189,  -2.767)  (  0.958,  -1.189,  -2.767)  ( 0.00,  0.00,  0.00)
173:     electro (  0.037,   0.127,   0.484)  (  0.037,   0.127,   0.484)  ( 0.00,  0.00,  0.00)
173: 32       (-45.479,  41.742, 115.912)  (-45.466,  41.746, 115.915)  ( 0.03,  0.01,  0.00)
173:     bond    (-49.033, -17.444,  10.722)  (-49.021, -17.442,  10.722)  ( 0.02,  0.01,  0.01)
173:     angle   (  2.327,  59.493, 107.416)  (  2.327,  59.495, 107.418)  ( 0.01,  0.00,  0.00)
173:     torsion ( -0.160,   0.329,  -0.198)  ( -0.160,   0.329,  -0.198)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.559,  -0.627,  -2.586)  (  1.559,  -0.627,  -2.586)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.172,  -0.008,   0.558)  ( -0.172,  -0.008,   0.558)  ( 0.00,  0.00,  0.00)
173: 33       (293.648, -251.208, -276.812)  (293.638, -251.194, -276.821)  ( 0.00,  0.01,  0.00)
173:     bond    ( -6.169, -16.241,   7.214)  ( -6.167, -16.229,   7.216)  ( 0.03,  0.07,  0.03)
173:     angle   (299.894, -238.899, -280.972)  (299.888, -238.896, -280.978)  ( 0.00,  0.00,  0.00)
173:     torsion ( -4.857,  -0.334,  -4.901)  ( -4.862,  -0.334,  -4.905)  ( 0.10,  0.00,  0.10)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro (  4.779,   4.265,   1.847)  (  4.779,   4.265,   1.847)  ( 0.00,  0.00,  0.00)
173: ok 30 # gradients 
173: ok 31 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       ( -3.442, -19.470,  -1.727)  ( -3.415, -19.442,  -1.701)  ( 0.78,  0.14,  1.49)
173:     bond    (-12.046,  -1.217,  -1.927)  (-12.027,  -1.199,  -1.908)  ( 0.16,  1.52,  0.97)
173:     angle   (  7.238, -12.120,   0.945)  (  7.246, -12.112,   0.952)  ( 0.11,  0.07,  0.66)
173:     torsion (  0.582,  -6.068,  -1.073)  (  0.582,  -6.068,  -1.073)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.998,   0.178,   0.421)  (  0.998,   0.178,   0.421)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.214,  -0.242,  -0.093)  ( -0.214,  -0.242,  -0.093)  ( 0.00,  0.00,  0.00)
173:  2       (245.840, -11.757,  72.267)  (245.875, -11.718,  72.276)  ( 0.01,  0.33,  0.01)
173:     bond    ( 77.690,  69.207,  45.161)  ( 77.715,  69.238,  45.167)  ( 0.03,  0.04,  0.01)
173:     angle   (172.284, -82.905,  35.928)  (172.294, -82.898,  35.930)  ( 0.01,  0.01,  0.01)
173:     torsion (  2.384,   5.248, -10.001)  (  2.384,   5.248,  -9.999)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -7.633,  -2.172,  -2.491)  ( -7.633,  -2.172,  -2.491)  ( 0.00,  0.00,  0.00)
173:     electro (  1.115,  -1.134,   3.669)  (  1.115,  -1.134,   3.669)  ( 0.00,  0.00,  0.00)
173:  3       ( -5.078,   4.446,  -6.954)  ( -5.074,   4.459,  -6.952)  ( 0.07,  0.29,  0.03)
173:     bond    (  1.459,   4.293,  -0.351)  (  1.460,   4.305,  -0.351)  ( 0.10,  0.29,  0.00)
173:     angle   ( -2.925,   0.321,  -8.216)  ( -2.923,   0.322,  -8.214)  ( 0.07,  0.01,  0.03)
173:     torsion ( -0.484,   0.301,   1.681)  ( -0.484,   0.301,   1.681)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.960,  -0.223,  -0.119)  ( -3.960,  -0.223,  -0.119)  ( 0.00,  0.00,  0.00)
173:     electro (  0.833,  -0.247,   0.052)  (  0.833,  -0.247,   0.052)  ( 0.00,  0.00,  0.00)
173:  4       (  0.711,   2.002,  -4.913)  (  0.717,   2.008,  -4.907)  ( 0.45,  0.30,  0.13)
173:     bond    (  2.553,  -2.568,  -2.673)  (  2.558,  -2.564,  -2.668)  ( 0.18,  0.18,  0.19)
173:     angle   (  6.931,   6.816,   0.094)  (  6.933,   6.818,   0.096)  ( 0.02,  0.02,  0.01)
173:     torsion (  0.207,   1.182,  -0.937)  (  0.207,   1.182,  -0.937)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -8.964,  -2.417,  -1.160)  ( -8.963,  -2.417,  -1.160)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.017,  -1.011,  -0.237)  ( -0.017,  -1.011,  -0.237)  ( 0.00,  0.00,  0.00)
173:  5       ( -9.656,  -0.763,   3.225)  ( -9.654,  -0.760,   3.238)  ( 0.03,  0.25,  0.40)
173:     bond    (  0.268,  -0.904,   2.749)  (  0.268,  -0.902,   2.762)  ( 0.00,  0.12,  0.46)
173:     angle   ( -8.963,  -2.205,   0.150)  ( -8.960,  -2.203,   0.150)  ( 0.03,  0.08,  0.00)
173:     torsion ( -0.431,   3.040,   1.035)  ( -0.431,   3.040,   1.035)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.944,  -0.045,  -0.815)  ( -0.944,  -0.045,  -0.815)  ( 0.00,  0.00,  0.00)
173:     electro (  0.413,  -0.650,   0.106)  (  0.413,  -0.650,   0.106)  ( 0.00,  0.00,  0.00)
173:  6       (-36.959,  41.759,  10.918)  (-36.945,  41.776,  10.920)  ( 0.04,  0.04,  0.02)
173:     bond    (-35.916,  42.475,   9.669)  (-35.905,  42.491,   9.670)  ( 0.03,  0.04,  0.01)
173:     angle   ( 17.939,  12.987,   9.543)  ( 17.941,  12.988,   9.543)  ( 0.01,  0.01,  0.01)
173:     torsion ( -0.378,  -0.725,   1.780)  ( -0.378,  -0.725,   1.781)  ( 0.00,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-18.582, -23.931,  -9.878)  (-18.581, -23.931,  -9.877)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.021,  10.953,  -0.197)  ( -0.021,  10.953,  -0.197)  ( 0.00,  0.00,  0.00)
173:  7       (-199.429, 120.899, -77.246)  (-199.398, 120.930, -77.238)  ( 0.02,  0.03,  0.01)
173:     bond    ( 13.550, -89.413, -25.470)  ( 13.572, -89.390, -25.463)  ( 0.16,  0.03,  0.03)
173:     angle   (-210.716, 213.999, -68.344)  (-210.707, 214.006, -68.343)  ( 0.00,  0.00,  0.00)
173:     torsion ( -4.940,  -8.461,  21.084)  ( -4.940,  -8.461,  21.085)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.003,   3.819,   1.416)  (  8.003,   3.819,   1.416)  ( 0.00,  0.00,  0.00)
173:     electro ( -5.327,   0.956,  -5.932)  ( -5.327,   0.956,  -5.932)  ( 0.00,  0.00,  0.00)
173:  8       ( 17.829,  -6.420,  -8.233)  ( 17.839,  -6.411,  -8.232)  ( 0.06,  0.14,  0.02)
173:     bond    ( 11.126, -10.112,  -2.792)  ( 11.135, -10.104,  -2.792)  ( 0.08,  0.07,  0.02)
173:     angle   (  2.321,   2.490,   0.248)  (  2.323,   2.491,   0.248)  ( 0.07,  0.06,  0.02)
173:     torsion (  1.088,   3.350,  -7.788)  (  1.088,   3.350,  -7.788)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.125,  -0.148,  -0.002)  (  0.125,  -0.148,  -0.002)  ( 0.00,  0.00,  0.00)
173:     electro (  3.169,  -2.000,   2.101)  (  3.169,  -2.000,   2.101)  ( 0.00,  0.00,  0.00)
173:  9       (225.116, -321.223, 133.735)  (225.145, -321.196, 133.756)  ( 0.01,  0.01,  0.02)
173:     bond    ( -7.634, -53.638,  -8.757)  ( -7.613, -53.619,  -8.744)  ( 0.28,  0.04,  0.15)
173:     angle   (237.812, -267.792, 150.866)  (237.821, -267.785, 150.875)  ( 0.00,  0.00,  0.01)
173:     torsion ( -4.970,  -6.735, -10.679)  ( -4.970,  -6.735, -10.679)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.986,   8.543,   3.971)  (  1.986,   8.543,   3.971)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.078,  -1.601,  -1.667)  ( -2.078,  -1.601,  -1.667)  ( 0.00,  0.00,  0.00)
173: 10       ( 18.528, 116.935, -222.952)  ( 18.546, 116.955, -222.926)  ( 0.10,  0.02,  0.01)
173:     bond    (  2.883,  25.720,  65.467)  (  2.898,  25.734,  65.488)  ( 0.52,  0.05,  0.03)
173:     angle   (  6.976,  87.919, -281.200)  (  6.979,  87.924, -281.195)  ( 0.04,  0.01,  0.00)
173:     torsion ( -3.682,  -6.591, -12.371)  ( -3.682,  -6.591, -12.372)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.215,  13.749,   3.629)  ( 13.216,  13.749,   3.630)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.864,  -3.861,   1.523)  ( -0.864,  -3.861,   1.523)  ( 0.00,  0.00,  0.00)
173: 11       (-263.679, 218.198,  51.373)  (-263.650, 218.212,  51.399)  ( 0.01,  0.01,  0.05)
173:     bond    (-86.760,  50.952,  24.119)  (-86.735,  50.959,  24.136)  ( 0.03,  0.01,  0.07)
173:     angle   (-183.958, 105.187,  32.275)  (-183.954, 105.194,  32.283)  ( 0.00,  0.01,  0.03)
173:     torsion ( 11.442,  45.536, -10.233)  ( 11.442,  45.536, -10.232)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.258,   8.635,   3.973)  ( -4.258,   8.635,   3.973)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.145,   7.888,   1.239)  ( -0.145,   7.888,   1.239)  ( 0.00,  0.00,  0.00)
173: 12       ( 33.659, -29.203, -13.271)  ( 33.660, -29.198, -13.260)  ( 0.00,  0.02,  0.08)
173:     bond    ( -2.965, -10.550, -17.782)  ( -2.964, -10.546, -17.773)  ( 0.01,  0.03,  0.06)
173:     angle   ( 29.381, -16.906,   5.130)  ( 29.382, -16.904,   5.130)  ( 0.00,  0.01,  0.01)
173:     torsion (  2.468,  -2.830,   1.267)  (  2.468,  -2.830,   1.267)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.831,   3.273,  -1.575)  (  6.831,   3.273,  -1.575)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.057,  -2.191,  -0.311)  ( -2.057,  -2.191,  -0.311)  ( 0.00,  0.00,  0.00)
173: 13       ( 34.183, -87.299,  25.278)  ( 34.193, -87.289,  25.282)  ( 0.03,  0.01,  0.02)
173:     bond    ( 19.364, -72.216,  32.658)  ( 19.373, -72.208,  32.660)  ( 0.05,  0.01,  0.01)
173:     angle   ( 19.573, -26.239, -15.673)  ( 19.574, -26.237, -15.671)  ( 0.01,  0.01,  0.01)
173:     torsion ( -2.281,   5.380,  13.128)  ( -2.280,   5.380,  13.128)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.612,   3.838,  -4.037)  ( -2.611,   3.839,  -4.037)  ( 0.01,  0.00,  0.00)
173:     electro (  0.138,   1.937,  -0.798)  (  0.138,   1.937,  -0.798)  ( 0.00,  0.00,  0.00)
173: 14       (-146.962, -31.735,  70.658)  (-146.940, -31.723,  70.705)  ( 0.02,  0.04,  0.07)
173:     bond    ( 62.265,   2.720, -105.238)  ( 62.280,   2.728, -105.200)  ( 0.02,  0.27,  0.04)
173:     angle   (-199.845, -11.711, 169.340)  (-199.837, -11.707, 169.347)  ( 0.00,  0.04,  0.00)
173:     torsion ( -3.423, -15.710,   3.976)  ( -3.423, -15.710,   3.976)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -9.752,  -0.703,   4.859)  ( -9.752,  -0.703,   4.859)  ( 0.00,  0.00,  0.00)
173:     electro (  3.792,  -6.331,  -2.278)  (  3.792,  -6.331,  -2.278)  ( 0.00,  0.00,  0.00)
173: 15       ( 26.723,  -0.726, -10.858)  ( 26.726,  -0.714, -10.856)  ( 0.01,  0.94,  0.03)
173:     bond    ( -0.092,  -2.399,  -0.719)  ( -0.092,  -2.387,  -0.718)  ( 0.00,  0.53,  0.08)
173:     angle   ( 27.753,   2.469, -11.756)  ( 27.757,   2.469, -11.754)  ( 0.01,  0.01,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.584,   0.797,   0.768)  ( -2.584,   0.797,   0.768)  ( 0.00,  0.00,  0.00)
173:     electro (  1.645,  -1.594,   0.848)  (  1.645,  -1.594,   0.848)  ( 0.00,  0.00,  0.00)
173: 16       ( 62.434, -27.811,  26.947)  ( 62.438, -27.810,  26.973)  ( 0.01,  0.01,  0.10)
173:     bond    ( -3.261,  -2.027,  15.582)  ( -3.260,  -2.027,  15.608)  ( 0.03,  0.02,  0.16)
173:     angle   ( 64.819, -38.061,   8.596)  ( 64.821, -38.059,   8.596)  ( 0.00,  0.00,  0.00)
173:     torsion (  5.845,  10.205,   2.546)  (  5.845,  10.205,   2.546)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -9.040,  -0.891,   3.300)  ( -9.040,  -0.891,   3.300)  ( 0.00,  0.00,  0.00)
173:     electro (  4.070,   2.963,  -3.077)  (  4.070,   2.963,  -3.077)  ( 0.00,  0.00,  0.00)
173: 17       (-111.712, 155.037, -72.705)  (-111.687, 155.062, -72.679)  ( 0.02,  0.02,  0.03)
173:     bond    (-61.202,  38.262, -28.857)  (-61.186,  38.277, -28.840)  ( 0.03,  0.04,  0.06)
173:     angle   (-47.834, 110.585, -38.924)  (-47.825, 110.594, -38.915)  ( 0.02,  0.01,  0.02)
173:     torsion ( -2.088,   4.781,  -3.597)  ( -2.087,   4.781,  -3.597)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.438,   2.373,  -2.058)  ( -0.438,   2.373,  -2.058)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.150,  -0.964,   0.730)  ( -0.150,  -0.964,   0.730)  ( 0.00,  0.00,  0.00)
173: 18       ( 13.365, -88.460, -15.407)  ( 13.393, -88.432, -15.379)  ( 0.21,  0.03,  0.18)
173:     bond    ( 23.033, -22.454,  19.510)  ( 23.051, -22.435,  19.528)  ( 0.08,  0.08,  0.10)
173:     angle   ( -6.494, -32.659, -49.288)  ( -6.485, -32.649, -49.279)  ( 0.14,  0.03,  0.02)
173:     torsion ( -0.656, -30.683,  14.655)  ( -0.656, -30.683,  14.655)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.375,  -3.297,  -0.779)  (  2.376,  -3.297,  -0.779)  ( 0.01,  0.00,  0.01)
173:     electro ( -4.893,   0.633,   0.495)  ( -4.893,   0.633,   0.495)  ( 0.00,  0.00,  0.00)
173: 19       ( 47.130, -64.556, -23.523)  ( 47.157, -64.529, -23.496)  ( 0.06,  0.04,  0.11)
173:     bond    (  6.702,  -5.903, -10.312)  (  6.720,  -5.885, -10.294)  ( 0.28,  0.31,  0.18)
173:     angle   ( 35.929, -62.760,   8.488)  ( 35.937, -62.752,   8.496)  ( 0.02,  0.01,  0.09)
173:     torsion ( -4.275,  -1.779,  -0.880)  ( -4.275,  -1.779,  -0.880)  ( 0.00,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.580,   4.470, -19.699)  (  8.580,   4.470, -19.698)  ( 0.00,  0.00,  0.00)
173:     electro (  0.194,   1.417,  -1.119)  (  0.194,   1.417,  -1.119)  ( 0.00,  0.00,  0.00)
173: 20       ( 66.259,   1.063,  44.559)  ( 66.286,   1.090,  44.586)  ( 0.04,  2.51,  0.06)
173:     bond    ( 16.923,  12.912,  10.627)  ( 16.941,  12.930,  10.646)  ( 0.11,  0.14,  0.17)
173:     angle   ( 41.049, -17.605,  36.677)  ( 41.058, -17.597,  36.685)  ( 0.02,  0.04,  0.02)
173:     torsion (  4.433,  -3.963,  -2.662)  (  4.433,  -3.963,  -2.662)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.881,   8.342,   0.937)  (  3.882,   8.343,   0.937)  ( 0.00,  0.00,  0.01)
173:     electro ( -0.028,   1.377,  -1.020)  ( -0.028,   1.377,  -1.020)  ( 0.00,  0.00,  0.00)
173: 21       (161.649, -26.573, 179.307)  (161.666, -26.533, 179.332)  ( 0.01,  0.15,  0.01)
173:     bond    ( 94.358,  10.667, 108.046)  ( 94.370,  10.699, 108.064)  ( 0.01,  0.30,  0.02)
173:     angle   ( 77.084, -26.454,  48.484)  ( 77.089, -26.445,  48.490)  ( 0.01,  0.03,  0.01)
173:     torsion (  4.284,   1.677,  -0.546)  (  4.284,   1.677,  -0.545)  ( 0.01,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -9.887, -10.429,  18.556)  ( -9.887, -10.429,  18.557)  ( 0.00,  0.00,  0.00)
173:     electro ( -4.190,  -2.034,   4.766)  ( -4.190,  -2.034,   4.766)  ( 0.00,  0.00,  0.00)
173: 22       ( 16.326,  -2.093, -12.862)  ( 16.329,  -2.087, -12.851)  ( 0.02,  0.27,  0.09)
173:     bond    (  1.374,  -9.398, -16.143)  (  1.374,  -9.395, -16.132)  ( 0.01,  0.04,  0.06)
173:     angle   ( 13.409,   3.381,  -0.828)  ( 13.411,   3.383,  -0.828)  ( 0.02,  0.06,  0.05)
173:     torsion ( -2.701,   3.135,  -2.055)  ( -2.701,   3.135,  -2.056)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.563,   3.317,   4.624)  (  4.564,   3.317,   4.624)  ( 0.01,  0.00,  0.00)
173:     electro ( -0.319,  -2.527,   1.540)  ( -0.319,  -2.527,   1.540)  ( 0.00,  0.00,  0.00)
173: 23       (-128.902, -31.257, -143.473)  (-128.891, -31.236, -143.459)  ( 0.01,  0.07,  0.01)
173:     bond    (-109.862, -24.952, -130.010)  (-109.852, -24.937, -129.998)  ( 0.01,  0.06,  0.01)
173:     angle   (-20.264,   1.010, -19.757)  (-20.263,   1.015, -19.755)  ( 0.00,  0.53,  0.01)
173:     torsion ( -4.483,  -0.658,   3.897)  ( -4.482,  -0.658,   3.897)  ( 0.01,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.898,  -9.446,   3.735)  (  1.898,  -9.445,   3.735)  ( 0.00,  0.00,  0.00)
173:     electro (  3.808,   2.789,  -1.338)  (  3.808,   2.789,  -1.338)  ( 0.00,  0.00,  0.00)
173: 24       ( -8.341,   2.414,  -5.418)  ( -8.334,   2.421,  -5.413)  ( 0.09,  0.30,  0.08)
173:     bond    ( -6.765,   6.691,  -4.681)  ( -6.759,   6.697,  -4.679)  ( 0.09,  0.08,  0.06)
173:     angle   ( -5.987,  -8.347,  -3.300)  ( -5.986,  -8.345,  -3.298)  ( 0.02,  0.02,  0.05)
173:     torsion ( -0.111,   0.005,   0.168)  ( -0.111,   0.005,   0.168)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.529,   4.505,   1.876)  (  4.529,   4.505,   1.876)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.007,  -0.441,   0.519)  ( -0.007,  -0.441,   0.519)  ( 0.00,  0.00,  0.00)
173: 25       (-13.180,  -6.027,   0.187)  (-13.174,  -6.021,   0.194)  ( 0.04,  0.10,  0.14)
173:     bond    ( -6.492,  -6.842,   7.764)  ( -6.488,  -6.838,   7.769)  ( 0.06,  0.07,  0.07)
173:     angle   (-10.193,  -2.422, -10.642)  (-10.192,  -2.420, -10.641)  ( 0.01,  0.06,  0.01)
173:     torsion (  0.015,  -0.018,  -0.004)  (  0.015,  -0.018,  -0.004)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.489,   3.271,   2.934)  (  3.489,   3.271,   2.934)  ( 0.00,  0.00,  0.00)
173:     electro (  0.001,  -0.016,   0.136)  (  0.001,  -0.016,   0.136)  ( 0.00,  0.00,  0.00)
173: 26       ( -6.072,  -6.676, -11.912)  ( -6.068,  -6.669, -11.903)  ( 0.07,  0.10,  0.07)
173:     bond    (  4.340,  -7.274,  -8.578)  (  4.342,  -7.268,  -8.571)  ( 0.04,  0.07,  0.08)
173:     angle   (-14.802,  -2.793,  -5.131)  (-14.800,  -2.791,  -5.130)  ( 0.01,  0.05,  0.02)
173:     torsion ( -0.025,   0.231,  -0.209)  ( -0.025,   0.231,  -0.209)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.175,   3.216,   1.878)  (  4.175,   3.216,   1.878)  ( 0.00,  0.00,  0.00)
173:     electro (  0.239,  -0.056,   0.129)  (  0.239,  -0.056,   0.129)  ( 0.00,  0.00,  0.00)
173: 27       ( -7.930,   6.898,   0.377)  ( -7.923,   6.906,   0.381)  ( 0.10,  0.11,  0.16)
173:     bond    ( -7.674,   7.398,  -4.124)  ( -7.668,   7.404,  -4.122)  ( 0.08,  0.08,  0.05)
173:     angle   ( -4.404,   2.474,  12.635)  ( -4.403,   2.475,  12.637)  ( 0.02,  0.05,  0.02)
173:     torsion ( -0.939,  -0.873,   0.177)  ( -0.939,  -0.873,   0.177)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.164,  -1.720,  -8.316)  (  5.164,  -1.720,  -8.316)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.077,  -0.380,   0.004)  ( -0.077,  -0.380,   0.004)  ( 0.00,  0.00,  0.00)
173: 28       ( -1.673,  11.278,   8.469)  ( -1.664,  11.283,   8.474)  ( 0.50,  0.05,  0.06)
173:     bond    (  7.443,   5.640,   5.085)  (  7.450,   5.644,   5.088)  ( 0.09,  0.07,  0.06)
173:     angle   (-12.872,   8.560,   9.347)  (-12.871,   8.561,   9.348)  ( 0.01,  0.02,  0.02)
173:     torsion ( -0.163,   0.947,  -0.812)  ( -0.163,   0.947,  -0.812)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.057,  -3.384,  -5.345)  (  4.057,  -3.384,  -5.345)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.138,  -0.486,   0.195)  ( -0.138,  -0.486,   0.195)  ( 0.00,  0.00,  0.00)
173: 29       (-11.864,   1.706,  10.277)  (-11.860,   1.712,  10.285)  ( 0.04,  0.36,  0.08)
173:     bond    ( -6.333,  -7.421,   8.992)  ( -6.330,  -7.416,   8.999)  ( 0.05,  0.06,  0.07)
173:     angle   ( -7.898,  12.822,   5.013)  ( -7.897,  12.824,   5.014)  ( 0.02,  0.01,  0.02)
173:     torsion (  0.783,  -0.088,   0.479)  (  0.783,  -0.088,   0.479)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.664,  -3.431,  -4.196)  (  1.664,  -3.431,  -4.196)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.080,  -0.176,  -0.010)  ( -0.080,  -0.176,  -0.010)  ( 0.00,  0.00,  0.00)
173: 30       (  7.091,  27.558,   8.407)  (  7.093,  27.573,   8.409)  ( 0.03,  0.05,  0.02)
173:     bond    ( -5.489,  23.059,  -2.986)  ( -5.488,  23.073,  -2.985)  ( 0.02,  0.06,  0.01)
173:     angle   ( 17.936,   7.069,  21.658)  ( 17.937,   7.069,  21.659)  ( 0.01,  0.00,  0.01)
173:     torsion (  3.204,   0.402,  -2.785)  (  3.204,   0.402,  -2.785)  ( 0.01,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -8.559,  -2.971,  -7.481)  ( -8.559,  -2.971,  -7.481)  ( 0.00,  0.00,  0.00)
173: 31       (-22.391,  51.361, -14.964)  (-22.388,  51.382, -14.956)  ( 0.01,  0.04,  0.05)
173:     bond    (  6.860,  28.919,  15.644)  (  6.861,  28.939,  15.650)  ( 0.02,  0.07,  0.04)
173:     angle   (-41.399,  32.772, -42.455)  (-41.398,  32.773, -42.454)  ( 0.00,  0.00,  0.00)
173:     torsion ( -0.709,  -0.239,   0.753)  ( -0.709,  -0.239,   0.753)  ( 0.01,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.115, -10.092,   3.590)  (  3.115, -10.092,   3.590)  ( 0.00,  0.00,  0.00)
173:     electro (  9.743,   0.001,   7.505)  (  9.743,   0.001,   7.505)  ( 0.00,  0.00,  0.00)
173: ok 32 # gradients 
173: ok 33 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (  9.939,  -1.844,   0.003)  (  9.975,  -1.828,   0.032)  ( 0.36,  0.87,  0.01)
173:     bond    (  3.343,  -0.578,   0.071)  (  3.368,  -0.569,   0.092)  ( 0.74,  0.55,  0.15)
173:     angle   ( 31.094,  -5.861,  -0.074)  ( 31.105,  -5.859,  -0.069)  ( 0.03,  0.05,  0.04)
173:     torsion (  0.003,   0.006,  -0.008)  (  0.003,   0.010,  -0.007)  ( 0.00,  0.00,  0.00)
173:     oop     (  0.000,   0.002,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
173:     vdw     (-23.368,   4.375,   0.016)  (-23.367,   4.375,   0.016)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.134,   0.212,   0.001)  ( -1.134,   0.212,   0.001)  ( 0.00,  0.00,  0.00)
173:  2       ( 28.160,   0.299,   9.627)  ( 28.197,   0.315,   9.655)  ( 0.13,  0.47,  0.29)
173:     bond    ( 65.349, -12.154,   0.347)  ( 65.377, -12.146,   0.365)  ( 0.04,  0.07,  0.64)
173:     angle   (-20.964,   1.627,  -3.468)  (-20.956,   1.630,  -3.461)  ( 0.04,  0.21,  0.21)
173:     torsion ( -0.099,  -0.520,   0.342)  ( -0.099,  -0.517,   0.343)  ( 0.00,  0.18,  0.05)
173:     oop     ( -0.006,  -0.032,   0.021)  ( -0.006,  -0.031,   0.021)  ( 0.00,  0.00,  0.00)
173:     vdw     (-14.566,  12.237,  14.094)  (-14.566,  12.237,  14.095)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.554,  -0.858,  -1.709)  ( -1.554,  -0.858,  -1.709)  ( 0.00,  0.00,  0.00)
173:  3       (-45.505, -25.091, -54.783)  (-45.469, -25.075, -54.756)  ( 0.08,  0.06,  0.05)
173:     bond    (-27.912, -50.685, -84.497)  (-27.885, -50.676, -84.479)  ( 0.10,  0.02,  0.02)
173:     angle   (-31.895,  12.396,  11.675)  (-31.886,  12.399,  11.682)  ( 0.03,  0.03,  0.06)
173:     torsion (  0.506,   2.702,  -1.797)  (  0.507,   2.705,  -1.796)  ( 0.01,  0.12,  0.08)
173:     oop     (  0.002,   0.010,  -0.007)  (  0.002,   0.010,  -0.007)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.729,  10.503,  19.852)  ( 13.730,  10.503,  19.852)  ( 0.00,  0.00,  0.00)
173:     electro (  0.064,  -0.017,  -0.009)  (  0.064,  -0.017,  -0.009)  ( 0.00,  0.00,  0.00)
173:  4       (-100.866,  18.886,   0.220)  (-100.831,  18.902,   0.248)  ( 0.04,  0.09,  0.62)
173:     bond    (-146.522,  27.515,   0.261)  (-146.497,  27.525,   0.282)  ( 0.02,  0.03,  0.54)
173:     angle   ( 25.917,  -4.877,  -0.055)  ( 25.927,  -4.873,  -0.049)  ( 0.04,  0.08,  0.03)
173:     torsion ( -0.011,  -0.056,   0.029)  ( -0.011,  -0.053,   0.030)  ( 0.00,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 19.650,  -3.678,  -0.015)  ( 19.651,  -3.678,  -0.015)  ( 0.00,  0.00,  0.00)
173:     electro (  0.100,  -0.019,  -0.000)  (  0.100,  -0.019,  -0.000)  ( 0.00,  0.00,  0.00)
173:  5       (-33.743,  39.837,  54.381)  (-33.706,  39.853,  54.408)  ( 0.11,  0.04,  0.05)
173:     bond    ( -7.951,  57.195,  84.198)  ( -7.923,  57.203,  84.216)  ( 0.35,  0.01,  0.02)
173:     angle   (-34.355,  -0.042, -11.650)  (-34.346,  -0.038, -11.643)  ( 0.02,  0.02,  0.06)
173:     torsion ( -0.473,  -2.543,   1.684)  ( -0.473,  -2.540,   1.686)  ( 0.01,  0.12,  0.08)
173:     oop     ( -0.002,  -0.010,   0.007)  ( -0.002,  -0.010,   0.007)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.972, -14.754, -19.867)  (  8.972, -14.754, -19.866)  ( 0.00,  0.00,  0.00)
173:     electro (  0.066,  -0.008,   0.009)  (  0.066,  -0.008,   0.009)  ( 0.00,  0.00,  0.00)
173:  6       ( 26.431, -10.762,  -9.864)  ( 26.468, -10.746,  -9.836)  ( 0.14,  0.15,  0.28)
173:     bond    ( 65.571, -12.525,  -0.673)  ( 65.598, -12.516,  -0.654)  ( 0.04,  0.07,  1.25)
173:     angle   (-20.069,   6.056,   3.500)  (-20.061,   6.059,   3.507)  ( 0.04,  0.05,  0.20)
173:     torsion (  0.082,   0.448,  -0.301)  (  0.082,   0.451,  -0.299)  ( 0.00,  0.16,  0.05)
173:     oop     (  0.006,   0.030,  -0.021)  (  0.006,   0.031,  -0.020)  ( 0.00,  0.00,  0.00)
173:     vdw     (-18.022,  -6.133, -14.081)  (-18.022,  -6.133, -14.080)  ( 0.00,  0.00,  0.00)
173:     electro ( -1.136,   1.362,   1.710)  ( -1.136,   1.362,   1.710)  ( 0.00,  0.00,  0.00)
173:  7       ( 43.541,  -7.873,  -0.219)  ( 43.576,  -7.844,  -0.204)  ( 0.08,  0.37,  0.33)
173:     bond    ( 62.966, -11.497,  -0.240)  ( 62.991, -11.476,  -0.232)  ( 0.04,  0.18,  0.18)
173:     angle   ( -8.473,   1.575,   0.022)  ( -8.463,   1.581,   0.026)  ( 0.12,  0.39,  0.01)
173:     torsion ( -0.001,  -0.004,   0.001)  ( -0.001,  -0.003,   0.004)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.001)  ( -0.000,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     (-10.662,   2.000,  -0.002)  (-10.661,   2.000,  -0.001)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.290,   0.054,   0.000)  ( -0.290,   0.054,   0.000)  ( 0.00,  0.00,  0.00)
173:  8       (-21.512,   8.533,  -2.211)  (-21.475,   8.561,  -2.197)  ( 0.17,  0.33,  0.64)
173:     bond    (-14.149, -11.677,   8.514)  (-14.120, -11.658,   8.521)  ( 0.20,  0.16,  0.08)
173:     angle   (  3.182, -11.624,   6.552)  (  3.190, -11.617,   6.555)  ( 0.26,  0.06,  0.04)
173:     torsion (  0.078,   0.413,   0.693)  (  0.078,   0.415,   0.697)  ( 0.00,  0.06,  0.28)
173:     oop     ( -0.001,  -0.006,  -0.011)  ( -0.001,  -0.006,  -0.010)  ( 0.00,  0.00,  0.00)
173:     vdw     (-10.303,  31.921, -18.294)  (-10.303,  31.922, -18.294)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.319,  -0.494,   0.334)  ( -0.319,  -0.494,   0.334)  ( 0.00,  0.00,  0.00)
173:  9       ( 48.973,   3.976,  -7.897)  ( 49.009,   4.004,  -7.883)  ( 0.08,  0.71,  0.17)
173:     bond    ( 14.699, -28.406,  15.232)  ( 14.727, -28.387,  15.238)  ( 0.19,  0.07,  0.04)
173:     angle   ( 10.705,   7.865,  -5.884)  ( 10.713,   7.872,  -5.882)  ( 0.07,  0.09,  0.04)
173:     torsion ( -0.002,  -0.014,  -0.025)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 23.330,  24.333, -17.077)  ( 23.331,  24.334, -17.077)  ( 0.00,  0.00,  0.00)
173:     electro (  0.241,   0.197,  -0.145)  (  0.241,   0.197,  -0.145)  ( 0.00,  0.00,  0.00)
173: 10       (-17.572,   3.303,   0.003)  (-17.551,   3.326,   0.014)  ( 0.12,  0.71,  0.00)
173:     bond    (-30.271,   5.697,  -0.018)  (-30.260,   5.718,  -0.010)  ( 0.04,  0.37,  0.01)
173:     angle   ( -9.557,   1.759,   0.022)  ( -9.549,   1.761,   0.022)  ( 0.09,  0.08,  0.00)
173:     torsion (  0.002,   0.010,   0.016)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 24.936,  -4.665,  -0.019)  ( 24.936,  -4.665,  -0.019)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.681,   0.502,   0.002)  ( -2.681,   0.502,   0.002)  ( 0.00,  0.00,  0.00)
173: 11       ( 43.607, -21.492,   7.803)  ( 43.645, -21.465,   7.816)  ( 0.09,  0.13,  0.17)
173:     bond    ( 23.408,  21.070, -15.181)  ( 23.439,  21.088, -15.174)  ( 0.13,  0.08,  0.04)
173:     angle   (  7.071, -11.144,   5.829)  (  7.078, -11.137,   5.832)  ( 0.11,  0.07,  0.04)
173:     torsion ( -0.004,  -0.020,  -0.035)  ( -0.004,  -0.019,  -0.031)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.002,  -0.004)  ( -0.000,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 12.978, -31.126,  17.049)  ( 12.978, -31.125,  17.049)  ( 0.00,  0.00,  0.00)
173:     electro (  0.154,  -0.270,   0.145)  (  0.154,  -0.270,   0.145)  ( 0.00,  0.00,  0.00)
173: 12       (-22.333,  -0.735,   2.460)  (-22.296,  -0.706,   2.474)  ( 0.16,  2.08,  0.57)
173:     bond    ( -8.286,  15.559,  -8.353)  ( -8.259,  15.579,  -8.346)  ( 0.33,  0.13,  0.08)
173:     angle   (  7.262,   9.568,  -6.515)  (  7.270,   9.575,  -6.513)  ( 0.12,  0.07,  0.04)
173:     torsion ( -0.075,  -0.398,  -0.671)  ( -0.075,  -0.397,  -0.667)  ( 0.00,  0.06,  0.27)
173:     oop     (  0.001,   0.007,   0.012)  (  0.001,   0.008,   0.013)  ( 0.00,  0.00,  0.00)
173:     vdw     (-21.116, -26.047,  18.320)  (-21.116, -26.047,  18.321)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.119,   0.576,  -0.333)  ( -0.119,   0.576,  -0.333)  ( 0.00,  0.00,  0.00)
173: 13       ( -3.438,  -4.662,   3.047)  ( -3.431,  -4.655,   3.051)  ( 0.21,  0.17,  0.14)
173:     bond    ( -3.155,  -3.471,   2.414)  ( -3.150,  -3.464,   2.417)  ( 0.16,  0.18,  0.12)
173:     angle   ( -1.327,   0.924,  -0.402)  ( -1.325,   0.925,  -0.401)  ( 0.16,  0.10,  0.01)
173:     torsion ( -0.010,  -0.054,  -0.092)  ( -0.010,  -0.054,  -0.091)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.001,  -0.003,  -0.005)  ( -0.001,  -0.003,  -0.005)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.656,  -1.568,   0.868)  (  0.656,  -1.568,   0.868)  ( 0.00,  0.00,  0.00)
173:     electro (  0.399,  -0.490,   0.264)  (  0.399,  -0.490,   0.264)  ( 0.00,  0.00,  0.00)
173: 14       ( -1.038,  -6.052,   3.764)  ( -1.032,  -6.042,   3.767)  ( 0.51,  0.16,  0.10)
173:     bond    (  1.964,  -3.904,   2.094)  (  1.966,  -3.895,   2.096)  ( 0.12,  0.24,  0.13)
173:     angle   ( -4.094,  -1.377,   1.278)  ( -4.091,  -1.377,   1.278)  ( 0.07,  0.03,  0.02)
173:     torsion (  0.005,   0.024,   0.041)  (  0.005,   0.025,   0.041)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.289,   0.109,  -0.100)  (  0.289,   0.109,  -0.100)  ( 0.00,  0.00,  0.00)
173:     electro (  0.800,  -0.904,   0.451)  (  0.800,  -0.904,   0.451)  ( 0.00,  0.00,  0.00)
173: 15       ( 39.547,  17.387,  40.717)  ( 39.575,  17.414,  40.744)  ( 0.07,  0.15,  0.07)
173:     bond    ( 13.148,  10.036,  18.899)  ( 13.166,  10.055,  18.918)  ( 0.14,  0.19,  0.10)
173:     angle   ( 18.212,   2.244,  10.544)  ( 18.220,   2.251,  10.551)  ( 0.05,  0.30,  0.07)
173:     torsion ( -0.087,  -0.474,   0.315)  ( -0.087,  -0.473,   0.315)  ( 0.00,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  7.697,   5.765,  11.093)  (  7.697,   5.765,  11.094)  ( 0.01,  0.00,  0.00)
173:     electro (  0.577,  -0.184,  -0.134)  (  0.577,  -0.184,  -0.134)  ( 0.00,  0.00,  0.00)
173: 16       (-21.609,   4.057,   0.045)  (-21.594,   4.059,   0.048)  ( 0.07,  0.05,  0.01)
173:     bond    ( -9.567,   1.788,   0.006)  ( -9.552,   1.789,   0.006)  ( 0.15,  0.03,  0.00)
173:     angle   (  0.003,   0.018,   0.026)  (  0.004,   0.019,   0.028)  ( 0.00,  0.00,  0.01)
173:     torsion ( -0.001,  -0.005,   0.003)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -8.832,   1.655,   0.008)  ( -8.832,   1.655,   0.008)  ( 0.00,  0.01,  0.00)
173:     electro ( -3.213,   0.602,   0.002)  ( -3.213,   0.602,   0.002)  ( 0.00,  0.00,  0.00)
173: 17       (-27.099,   9.944,   6.522)  (-27.093,   9.949,   6.531)  ( 0.02,  0.05,  0.14)
173:     bond    ( -2.971,   3.963,   5.094)  ( -2.968,   3.968,   5.102)  ( 0.09,  0.12,  0.15)
173:     angle   (  5.464,   0.715,   2.624)  (  5.467,   0.715,   2.625)  ( 0.05,  0.00,  0.02)
173:     torsion ( -0.047,  -0.247,   0.164)  ( -0.047,  -0.246,   0.164)  ( 0.00,  0.01,  0.00)
173:     oop     (  0.002,   0.010,  -0.007)  (  0.002,   0.010,  -0.007)  ( 0.00,  0.00,  0.00)
173:     vdw     (-34.109,   3.803,  -5.190)  (-34.108,   3.803,  -5.190)  ( 0.00,  0.00,  0.00)
173:     electro (  4.561,   1.700,   3.837)  (  4.561,   1.700,   3.837)  ( 0.00,  0.00,  0.00)
173: 18       ( 30.504, -30.620, -40.444)  ( 30.531, -30.594, -40.417)  ( 0.09,  0.09,  0.07)
173:     bond    (  8.498, -14.006, -18.729)  (  8.516, -13.988, -18.710)  ( 0.21,  0.13,  0.10)
173:     angle   ( 16.251,  -8.841, -10.464)  ( 16.259,  -8.834, -10.457)  ( 0.05,  0.08,  0.07)
173:     torsion (  0.079,   0.420,  -0.281)  (  0.079,   0.420,  -0.280)  ( 0.00,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  5.071,  -8.155, -11.104)  (  5.072,  -8.155, -11.103)  ( 0.01,  0.00,  0.00)
173:     electro (  0.605,  -0.037,   0.133)  (  0.605,  -0.037,   0.133)  ( 0.00,  0.00,  0.00)
173: 19       (-28.792,   0.611,  -6.408)  (-28.783,   0.615,  -6.399)  ( 0.03,  0.21,  0.14)
173:     bond    ( -4.128,  -2.571,  -5.000)  ( -4.122,  -2.569,  -4.992)  ( 0.13,  0.08,  0.16)
173:     angle   (  4.816,  -2.635,  -2.623)  (  4.818,  -2.635,  -2.623)  ( 0.04,  0.02,  0.02)
173:     torsion (  0.046,   0.249,  -0.167)  (  0.046,   0.250,  -0.167)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.002,  -0.011,   0.007)  ( -0.002,  -0.011,   0.007)  ( 0.00,  0.00,  0.00)
173:     vdw     (-33.156,   8.814,   5.218)  (-33.155,   8.814,   5.218)  ( 0.00,  0.00,  0.00)
173:     electro (  3.632,  -3.234,  -3.843)  (  3.632,  -3.234,  -3.843)  ( 0.00,  0.00,  0.00)
173: 20       ( -1.417,   5.561,  -3.069)  ( -1.412,   5.572,  -3.065)  ( 0.32,  0.19,  0.14)
173:     bond    ( -1.679,   4.331,  -2.400)  ( -1.677,   4.341,  -2.397)  ( 0.09,  0.23,  0.13)
173:     angle   ( -1.475,  -0.360,   0.378)  ( -1.472,  -0.360,   0.379)  ( 0.21,  0.01,  0.01)
173:     torsion (  0.009,   0.049,   0.083)  (  0.009,   0.050,   0.084)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.000,   0.002,   0.004)  (  0.000,   0.002,   0.004)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.178,   1.225,  -0.870)  (  1.178,   1.225,  -0.870)  ( 0.01,  0.00,  0.00)
173:     electro (  0.549,   0.313,  -0.265)  (  0.549,   0.313,  -0.265)  ( 0.00,  0.00,  0.00)
173: 21       (  1.256,   6.103,  -3.821)  (  1.264,   6.110,  -3.817)  ( 0.66,  0.11,  0.10)
173:     bond    (  3.309,   2.985,  -2.153)  (  3.315,   2.991,  -2.151)  ( 0.19,  0.17,  0.12)
173:     angle   ( -3.351,   2.788,  -1.285)  ( -3.350,   2.790,  -1.284)  ( 0.06,  0.05,  0.02)
173:     torsion ( -0.003,  -0.018,  -0.030)  ( -0.003,  -0.017,  -0.029)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.230,  -0.206,   0.099)  (  0.230,  -0.206,   0.099)  ( 0.00,  0.00,  0.00)
173:     electro (  1.072,   0.553,  -0.452)  (  1.072,   0.553,  -0.452)  ( 0.00,  0.00,  0.00)
173: 22       (  4.183,   6.263,  -8.296)  (  4.188,   6.272,  -8.290)  ( 0.12,  0.14,  0.06)
173:     bond    ( -3.539,   5.280,  -3.647)  ( -3.536,   5.287,  -3.644)  ( 0.09,  0.14,  0.10)
173:     angle   (  8.074,  -0.673,  -8.814)  (  8.075,  -0.672,  -8.812)  ( 0.02,  0.08,  0.02)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.302,   1.409,   4.011)  ( -0.302,   1.409,   4.011)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.049,   0.248,   0.155)  ( -0.049,   0.248,   0.155)  ( 0.00,  0.00,  0.00)
173: 23       (  1.760,  -9.935,   3.608)  (  1.768,  -9.928,   3.612)  ( 0.42,  0.07,  0.11)
173:     bond    ( -4.804,  -4.755,   2.671)  ( -4.798,  -4.749,   2.673)  ( 0.13,  0.13,  0.07)
173:     angle   (  6.694,  -7.578,  -1.445)  (  6.695,  -7.577,  -1.443)  ( 0.02,  0.01,  0.14)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.003,   2.330,   2.074)  ( -0.003,   2.330,   2.074)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.127,   0.067,   0.308)  ( -0.127,   0.067,   0.308)  ( 0.00,  0.00,  0.00)
173: 24       ( 19.965,  -2.748,   0.181)  ( 19.972,  -2.743,   0.189)  ( 0.03,  0.18,  0.14)
173:     bond    (  4.537,  -3.942,  -5.382)  (  4.541,  -3.938,  -5.375)  ( 0.10,  0.09,  0.12)
173:     angle   (-13.992,  -2.615,  -9.907)  (-13.990,  -2.614,  -9.906)  ( 0.01,  0.06,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 30.374,   3.599,  15.457)  ( 30.375,   3.599,  15.457)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.954,   0.210,   0.013)  ( -0.954,   0.210,   0.013)  ( 0.00,  0.00,  0.00)
173: 25       (  1.717,  -7.297,   8.165)  (  1.725,  -7.292,   8.170)  ( 0.48,  0.07,  0.06)
173:     bond    ( -5.109,  -3.600,   3.593)  ( -5.102,  -3.596,   3.596)  ( 0.14,  0.10,  0.10)
173:     angle   (  7.750,  -2.293,   8.703)  (  7.751,  -2.291,   8.705)  ( 0.01,  0.08,  0.02)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.787,  -1.191,  -3.976)  ( -0.787,  -1.191,  -3.976)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.137,  -0.213,  -0.155)  ( -0.137,  -0.213,  -0.155)  ( 0.00,  0.00,  0.00)
173: 26       ( 19.499,  -4.596,  -0.325)  ( 19.508,  -4.593,  -0.317)  ( 0.05,  0.07,  0.25)
173:     bond    (  5.574,   2.012,   5.268)  (  5.581,   2.013,   5.275)  ( 0.13,  0.05,  0.12)
173:     angle   (-12.096,   7.610,   9.892)  (-12.095,   7.612,   9.894)  ( 0.01,  0.03,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 26.986, -14.368, -15.473)  ( 26.987, -14.368, -15.473)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.965,   0.151,  -0.012)  ( -0.965,   0.151,  -0.012)  ( 0.00,  0.00,  0.00)
173: 27       (  5.268,   8.549,  -3.580)  (  5.272,   8.559,  -3.576)  ( 0.07,  0.13,  0.11)
173:     bond    ( -2.739,   6.061,  -2.633)  ( -2.737,   6.071,  -2.631)  ( 0.08,  0.17,  0.07)
173:     angle   (  9.010,   4.695,   1.457)  (  9.012,   4.695,   1.459)  ( 0.02,  0.01,  0.14)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.860,  -2.190,  -2.096)  ( -0.860,  -2.190,  -2.096)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.142,  -0.017,  -0.308)  ( -0.142,  -0.017,  -0.308)  ( 0.00,  0.00,  0.00)
173: ok 34 # gradients 
173: ok 35 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (217.209, 187.514, 330.409)  (217.234, 187.528, 330.435)  ( 0.01,  0.01,  0.01)
173:     bond    (211.685, 155.105, 283.667)  (211.703, 155.111, 283.687)  ( 0.01,  0.00,  0.01)
173:     angle   ( -3.964,  51.185,  16.965)  ( -3.958,  51.192,  16.972)  ( 0.14,  0.01,  0.04)
173:     torsion ( -2.356, -23.585,  13.663)  ( -2.356, -23.584,  13.663)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  8.690,   6.517,  14.239)  (  8.691,   6.517,  14.240)  ( 0.00,  0.00,  0.00)
173:     electro (  3.155,  -1.708,   1.874)  (  3.155,  -1.708,   1.874)  ( 0.00,  0.00,  0.00)
173:  2       (-126.283,  23.279,  78.476)  (-126.255,  23.305,  78.505)  ( 0.02,  0.11,  0.04)
173:     bond    (-83.933,  34.546,  58.541)  (-83.914,  34.565,  58.559)  ( 0.02,  0.05,  0.03)
173:     angle   (-25.194, -15.507,  -5.861)  (-25.186, -15.499,  -5.852)  ( 0.03,  0.05,  0.16)
173:     torsion ( -0.848,   3.185,   0.882)  ( -0.847,   3.186,   0.883)  ( 0.01,  0.01,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-16.236,   0.628,  23.904)  (-16.236,   0.628,  23.905)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.073,   0.426,   1.009)  ( -0.073,   0.426,   1.009)  ( 0.00,  0.00,  0.00)
173:  3       (-101.376, -91.619,  80.919)  (-101.347, -91.592,  80.946)  ( 0.03,  0.03,  0.03)
173:     bond    (-54.446, -68.193,  60.016)  (-54.428, -68.175,  60.035)  ( 0.03,  0.03,  0.03)
173:     angle   (-20.728, -10.594,   8.671)  (-20.719, -10.586,   8.679)  ( 0.04,  0.08,  0.10)
173:     torsion ( -0.882,  -2.521,  -0.598)  ( -0.882,  -2.520,  -0.598)  ( 0.04,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-25.166, -10.358,  12.532)  (-25.165, -10.358,  12.532)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.154,   0.047,   0.298)  ( -0.154,   0.047,   0.298)  ( 0.00,  0.00,  0.00)
173:  4       ( -7.587,  36.159,  -0.492)  ( -7.564,  36.172,  -0.468)  ( 0.31,  0.04,  1.21)
173:     bond    (-11.839,  36.138,  -4.064)  (-11.823,  36.143,  -4.046)  ( 0.14,  0.01,  0.44)
173:     angle   ( 17.681,  -1.428,  19.899)  ( 17.688,  -1.421,  19.905)  ( 0.03,  0.51,  0.03)
173:     torsion ( -0.986,   6.062,   0.679)  ( -0.986,   6.063,   0.679)  ( 0.02,  0.01,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-11.762,  -4.223, -14.758)  (-11.761,  -4.223, -14.758)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.681,  -0.389,  -2.248)  ( -0.681,  -0.389,  -2.248)  ( 0.00,  0.00,  0.00)
173:  5       (113.406, -39.406, -104.121)  (113.433, -39.380, -104.093)  ( 0.02,  0.07,  0.03)
173:     bond    ( 80.632, -35.303, -58.525)  ( 80.651, -35.285, -58.507)  ( 0.02,  0.05,  0.03)
173:     angle   ( 14.870,  -2.308, -19.874)  ( 14.879,  -2.300, -19.865)  ( 0.06,  0.34,  0.05)
173:     torsion (  0.122,  -2.184,  -1.544)  (  0.123,  -2.184,  -1.543)  ( 0.00,  0.02,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 17.613,   0.250, -24.092)  ( 17.613,   0.250, -24.092)  ( 0.00,  0.00,  0.00)
173:     electro (  0.168,   0.139,  -0.086)  (  0.168,   0.139,  -0.086)  ( 0.00,  0.00,  0.00)
173:  6       ( 82.709,  70.383, -104.203)  ( 82.737,  70.410, -104.175)  ( 0.03,  0.04,  0.03)
173:     bond    ( 54.952,  69.597, -60.182)  ( 54.970,  69.616, -60.163)  ( 0.03,  0.03,  0.03)
173:     angle   ( -1.834,  -9.782, -31.818)  ( -1.825,  -9.774, -31.809)  ( 0.50,  0.08,  0.03)
173:     torsion (  2.726,   0.984,  -0.073)  (  2.727,   0.984,  -0.073)  ( 0.01,  0.04,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 26.430,   8.903, -12.275)  ( 26.431,   8.903, -12.275)  ( 0.00,  0.00,  0.00)
173:     electro (  0.434,   0.681,   0.145)  (  0.434,   0.681,   0.145)  ( 0.00,  0.00,  0.00)
173:  7       (-81.366, -64.293, -112.248)  (-81.339, -64.266, -112.220)  ( 0.03,  0.04,  0.02)
173:     bond    (-49.826, -55.720, -73.216)  (-49.807, -55.701, -73.197)  ( 0.04,  0.03,  0.03)
173:     angle   (-25.623,  -7.932, -31.950)  (-25.615,  -7.925, -31.942)  ( 0.03,  0.10,  0.03)
173:     torsion ( -0.025,   0.016,   0.004)  ( -0.025,   0.016,   0.004)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.002,  -0.680,  -7.188)  ( -6.002,  -0.680,  -7.188)  ( 0.00,  0.00,  0.00)
173:     electro (  0.110,   0.023,   0.102)  (  0.110,   0.023,   0.102)  ( 0.00,  0.00,  0.00)
173:  8       (-84.909, -97.294, -211.537)  (-84.886, -97.258, -211.505)  ( 0.03,  0.04,  0.02)
173:     bond    (-64.569, -159.993, -205.131)  (-64.552, -159.963, -205.104)  ( 0.03,  0.02,  0.01)
173:     angle   (-21.580,   8.756,  34.671)  (-21.575,   8.761,  34.675)  ( 0.02,  0.06,  0.01)
173:     torsion (  0.086,  52.261, -45.427)  (  0.086,  52.262, -45.427)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.392,   1.198,   4.044)  (  1.392,   1.198,   4.044)  ( 0.01,  0.01,  0.00)
173:     electro ( -0.238,   0.483,   0.307)  ( -0.238,   0.483,   0.307)  ( 0.00,  0.00,  0.00)
173:  9       ( 47.135, -20.490, -79.746)  ( 47.138, -20.486, -79.727)  ( 0.01,  0.02,  0.02)
173:     bond    ( 23.650,  25.473, -69.737)  ( 23.653,  25.475, -69.719)  ( 0.01,  0.01,  0.03)
173:     angle   (  7.691, -29.676,  -8.234)  (  7.692, -29.675,  -8.234)  ( 0.01,  0.00,  0.00)
173:     torsion ( 10.115, -17.057,  -2.801)  ( 10.114, -17.057,  -2.801)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.061,   1.628,   4.528)  (  6.061,   1.628,   4.528)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.382,  -0.857,  -3.501)  ( -0.382,  -0.857,  -3.501)  ( 0.00,  0.00,  0.00)
173: 10       ( 22.449, -68.998,   4.633)  ( 22.451, -68.976,   4.636)  ( 0.01,  0.03,  0.05)
173:     bond    (  7.092, -71.602,  11.127)  (  7.093, -71.580,  11.128)  ( 0.01,  0.03,  0.01)
173:     angle   ( 25.125,  -1.719, -27.071)  ( 25.126,  -1.719, -27.069)  ( 0.01,  0.00,  0.01)
173:     torsion ( -6.304,   2.008,  16.933)  ( -6.304,   2.008,  16.933)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.779,   5.337,   5.446)  ( -3.778,   5.337,   5.446)  ( 0.01,  0.00,  0.00)
173:     electro (  0.314,  -3.023,  -1.802)  (  0.314,  -3.023,  -1.802)  ( 0.00,  0.00,  0.00)
173: 11       (-91.763,  -3.754,  31.627)  (-91.731,  -3.718,  31.634)  ( 0.04,  0.95,  0.02)
173:     bond    (-115.629,  31.876,  11.097)  (-115.607,  31.903,  11.099)  ( 0.02,  0.09,  0.02)
173:     angle   ( 40.424, -23.656,  -4.616)  ( 40.434, -23.649,  -4.615)  ( 0.02,  0.03,  0.02)
173:     torsion ( -3.029, -18.365,  20.747)  ( -3.029, -18.365,  20.751)  ( 0.00,  0.00,  0.02)
173:     oop     (  0.009,   0.135,  -0.575)  (  0.009,   0.135,  -0.575)  ( 0.00,  0.00,  0.01)
173:     vdw     (-16.945,   5.217,   3.707)  (-16.944,   5.217,   3.707)  ( 0.00,  0.00,  0.00)
173:     electro (  3.407,   1.040,   1.267)  (  3.407,   1.040,   1.267)  ( 0.00,  0.00,  0.00)
173: 12       (-16.917,   0.368,  -2.780)  (-16.880,   0.403,  -2.771)  ( 0.22,  1.29,  0.30)
173:     bond    ( -8.035, -13.185,  -3.327)  ( -8.007, -13.159,  -3.325)  ( 0.34,  0.20,  0.05)
173:     angle   (  6.508,  32.172,   7.826)  (  6.518,  32.180,   7.827)  ( 0.14,  0.03,  0.01)
173:     torsion (  0.011,   0.610,  -2.907)  (  0.011,   0.610,  -2.901)  ( 0.00,  0.02,  0.19)
173:     oop     ( -0.005,   0.065,  -0.288)  ( -0.005,   0.066,  -0.287)  ( 0.00,  0.00,  0.02)
173:     vdw     (-15.584, -19.036,  -3.769)  (-15.584, -19.036,  -3.769)  ( 0.00,  0.00,  0.00)
173:     electro (  0.187,  -0.259,  -0.316)  (  0.187,  -0.259,  -0.316)  ( 0.00,  0.00,  0.00)
173: 13       ( 11.270, -95.690, -41.525)  ( 11.309, -95.656, -41.516)  ( 0.34,  0.04,  0.02)
173:     bond    ( 28.466,  16.983,   3.015)  ( 28.496,  17.006,   3.017)  ( 0.11,  0.14,  0.06)
173:     angle   (  3.964, -95.948, -24.764)  (  3.972, -95.938, -24.764)  ( 0.19,  0.01,  0.00)
173:     torsion ( -0.141,   1.849,  -7.029)  ( -0.141,   1.849,  -7.023)  ( 0.00,  0.02,  0.08)
173:     oop     ( -0.018,   0.196,  -0.781)  ( -0.018,   0.196,  -0.780)  ( 0.00,  0.00,  0.06)
173:     vdw     (-21.669, -18.406, -11.846)  (-21.669, -18.406, -11.846)  ( 0.00,  0.00,  0.00)
173:     electro (  0.669,  -0.364,  -0.121)  (  0.669,  -0.364,  -0.121)  ( 0.00,  0.00,  0.00)
173: 14       (-140.188,  98.160,  73.920)  (-140.150,  98.198,  73.928)  ( 0.03,  0.04,  0.01)
173:     bond    (-82.770,  58.919,  18.111)  (-82.743,  58.946,  18.113)  ( 0.03,  0.05,  0.01)
173:     angle   (-60.873,  53.130,  19.549)  (-60.863,  53.140,  19.549)  ( 0.02,  0.02,  0.00)
173:     torsion ( -0.379, -11.956,  45.545)  ( -0.379, -11.955,  45.551)  ( 0.00,  0.00,  0.01)
173:     oop     (  0.007,  -0.075,   0.304)  (  0.007,  -0.075,   0.304)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.636,  -3.098,  -8.519)  (  6.637,  -3.098,  -8.519)  ( 0.01,  0.01,  0.00)
173:     electro ( -2.809,   1.240,  -1.070)  ( -2.809,   1.240,  -1.070)  ( 0.00,  0.00,  0.00)
173: 15       (232.724, 225.345,  56.880)  (232.765, 225.385,  56.890)  ( 0.02,  0.02,  0.02)
173:     bond    (208.431, 186.218,  54.498)  (208.462, 186.248,  54.502)  ( 0.01,  0.02,  0.01)
173:     angle   (  7.144,  16.209,  14.422)  (  7.154,  16.218,  14.423)  ( 0.14,  0.06,  0.01)
173:     torsion (  0.685,   3.522, -15.763)  (  0.685,   3.523, -15.757)  ( 0.01,  0.02,  0.03)
173:     oop     (  0.010,   0.195,  -0.759)  (  0.010,   0.195,  -0.758)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 19.014,  18.420,   4.425)  ( 19.014,  18.420,   4.425)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.560,   0.781,   0.056)  ( -2.560,   0.781,   0.056)  ( 0.00,  0.00,  0.00)
173: 16       (-27.321,  38.880,  -5.682)  (-27.282,  38.914,  -5.673)  ( 0.14,  0.09,  0.16)
173:     bond    ( 42.454,  -0.705,   1.999)  ( 42.484,  -0.682,   2.001)  ( 0.07,  1.62,  0.10)
173:     angle   (-46.803,  20.940,   4.807)  (-46.795,  20.950,   4.808)  ( 0.02,  0.05,  0.01)
173:     torsion (  0.606,   6.259, -22.040)  (  0.606,   6.259, -22.034)  ( 0.00,  0.01,  0.03)
173:     oop     ( -0.035,  -0.633,   2.435)  ( -0.035,  -0.633,   2.436)  ( 0.00,  0.00,  0.03)
173:     vdw     (-23.572,  13.279,   7.220)  (-23.571,  13.280,   7.220)  ( 0.00,  0.01,  0.00)
173:     electro (  0.029,  -0.261,  -0.103)  (  0.029,  -0.261,  -0.103)  ( 0.00,  0.00,  0.00)
173: 17       (-34.139,  -6.910,  -2.404)  (-34.120,  -6.891,  -2.401)  ( 0.06,  0.27,  0.15)
173:     bond    (-16.269,  56.492,   4.485)  (-16.253,  56.504,   4.485)  ( 0.10,  0.02,  0.00)
173:     angle   ( -8.391,  -9.142,   8.465)  ( -8.388,  -9.137,   8.467)  ( 0.04,  0.06,  0.02)
173:     torsion ( -0.305,  -1.435,   4.824)  ( -0.305,  -1.435,   4.825)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -6.781, -48.880, -28.596)  ( -6.781, -48.878, -28.596)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.393,  -3.945,   8.418)  ( -2.393,  -3.945,   8.418)  ( 0.00,  0.00,  0.00)
173: 18       (146.126, -63.992, -117.741)  (146.152, -63.966, -117.715)  ( 0.02,  0.04,  0.02)
173:     bond    ( 60.804, -67.609, -76.802)  ( 60.822, -67.592, -76.783)  ( 0.03,  0.03,  0.02)
173:     angle   ( 50.538,   6.452, -38.791)  ( 50.546,   6.461, -38.783)  ( 0.02,  0.14,  0.02)
173:     torsion (  1.410,  -0.020,  -3.542)  (  1.410,  -0.020,  -3.541)  ( 0.02,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 31.773,  -2.217,   1.567)  ( 31.774,  -2.217,   1.566)  ( 0.00,  0.00,  0.00)
173:     electro (  1.601,  -0.598,  -0.174)  (  1.601,  -0.598,  -0.174)  ( 0.00,  0.00,  0.00)
173: 19       (-12.259, -67.676, 112.616)  (-12.232, -67.650, 112.643)  ( 0.22,  0.04,  0.02)
173:     bond    ( -2.071, -43.907,  76.597)  ( -2.053, -43.888,  76.616)  ( 0.91,  0.04,  0.02)
173:     angle   (-16.897, -16.971,  31.218)  (-16.889, -16.963,  31.226)  ( 0.04,  0.04,  0.03)
173:     torsion ( -1.851,  -0.486,  -0.491)  ( -1.851,  -0.485,  -0.491)  ( 0.01,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  9.091,  -6.867,   5.637)  (  9.091,  -6.867,   5.637)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.531,   0.554,  -0.344)  ( -0.531,   0.554,  -0.344)  ( 0.00,  0.00,  0.00)
173: 20       (-413.734, -385.279, -145.698)  (-413.703, -385.240, -145.691)  ( 0.01,  0.01,  0.01)
173:     bond    (-403.589, -414.547, -130.803)  (-403.566, -414.518, -130.800)  ( 0.01,  0.01,  0.00)
173:     angle   ( 12.719,  44.244, -14.018)  ( 12.726,  44.252, -14.017)  ( 0.05,  0.02,  0.01)
173:     torsion ( -3.504,   1.828,   4.666)  ( -3.503,   1.828,   4.670)  ( 0.03,  0.01,  0.08)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-22.891, -15.051,  -5.706)  (-22.890, -15.050,  -5.706)  ( 0.00,  0.00,  0.00)
173:     electro (  3.530,  -1.753,   0.162)  (  3.530,  -1.753,   0.162)  ( 0.00,  0.00,  0.00)
173: 21       ( 69.031, 439.916,  27.194)  ( 69.050, 439.947,  27.199)  ( 0.03,  0.01,  0.02)
173:     bond    (105.109, 354.969,  20.611)  (105.119, 354.998,  20.612)  ( 0.01,  0.01,  0.01)
173:     angle   (-38.753,  59.524, -20.345)  (-38.746,  59.526, -20.344)  ( 0.02,  0.00,  0.00)
173:     torsion (-12.418,   1.804,  34.038)  (-12.418,   1.804,  34.040)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 19.702,  24.237,  -7.723)  ( 19.703,  24.238,  -7.723)  ( 0.01,  0.00,  0.00)
173:     electro ( -4.609,  -0.619,   0.613)  ( -4.609,  -0.619,   0.613)  ( 0.00,  0.00,  0.00)
173: 22       (-319.638, -256.278, -99.435)  (-319.607, -256.241, -99.429)  ( 0.01,  0.01,  0.01)
173:     bond    (-309.224, -196.267, -103.821)  (-309.200, -196.240, -103.818)  ( 0.01,  0.01,  0.00)
173:     angle   (  0.878, -118.814,  10.313)  (  0.885, -118.806,  10.312)  ( 0.62,  0.01,  0.01)
173:     torsion (  0.525,  -0.158,  -1.178)  (  0.526,  -0.158,  -1.175)  ( 0.02,  0.00,  0.22)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-12.918,  62.748,  -5.117)  (-12.918,  62.750,  -5.117)  ( 0.00,  0.00,  0.00)
173:     electro (  1.100,  -3.786,   0.369)  (  1.100,  -3.786,   0.369)  ( 0.00,  0.00,  0.00)
173: 23       ( 60.304,  68.497,  13.003)  ( 60.331,  68.534,  13.011)  ( 0.05,  0.05,  0.06)
173:     bond    (141.796, -93.271,  59.722)  (141.815, -93.242,  59.724)  ( 0.01,  0.03,  0.00)
173:     angle   (-104.386, 137.818, -48.662)  (-104.379, 137.825, -48.660)  ( 0.01,  0.01,  0.00)
173:     torsion (  1.522,  -0.256,  -4.043)  (  1.522,  -0.256,  -4.039)  ( 0.03,  0.00,  0.09)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 20.305,  23.042,   6.134)  ( 20.305,  23.042,   6.134)  ( 0.00,  0.00,  0.00)
173:     electro (  1.068,   1.164,  -0.149)  (  1.068,   1.164,  -0.149)  ( 0.00,  0.00,  0.00)
173: 24       (-67.290,  -9.475, -27.056)  (-67.249,  -9.439, -27.047)  ( 0.06,  0.38,  0.04)
173:     bond    (-30.633, -25.999, -10.170)  (-30.600, -25.974, -10.164)  ( 0.11,  0.10,  0.06)
173:     angle   (-40.862,  34.218, -18.476)  (-40.855,  34.229, -18.475)  ( 0.02,  0.03,  0.01)
173:     torsion ( -0.394,   0.036,   1.094)  ( -0.393,   0.036,   1.097)  ( 0.02,  0.00,  0.30)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 13.081, -11.814,   5.483)  ( 13.082, -11.814,   5.483)  ( 0.00,  0.00,  0.00)
173:     electro ( -8.482,  -5.916,  -4.988)  ( -8.482,  -5.916,  -4.988)  ( 0.00,  0.00,  0.00)
173: 25       (301.981, -105.140, 116.200)  (302.013, -105.103, 116.207)  ( 0.01,  0.04,  0.01)
173:     bond    (247.377,  -1.415,  95.326)  (247.401,  -1.391,  95.329)  ( 0.01,  1.69,  0.00)
173:     angle   (  9.935, -102.399,  11.221)  (  9.941, -102.388,  11.222)  ( 0.07,  0.01,  0.01)
173:     torsion ( 13.540,  -2.349, -35.450)  ( 13.541,  -2.349, -35.447)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 30.680, -16.006,  36.690)  ( 30.680, -16.003,  36.690)  ( 0.00,  0.02,  0.00)
173:     electro (  0.449,  17.028,   8.413)  (  0.449,  17.028,   8.413)  ( 0.00,  0.00,  0.00)
173: 26       (-48.127, -45.901, -29.735)  (-48.099, -45.868, -29.729)  ( 0.06,  0.07,  0.02)
173:     bond    (-163.266,   6.242, -62.884)  (-163.245,   6.266, -62.882)  ( 0.01,  0.38,  0.00)
173:     angle   (113.983, -50.151,  14.930)  (113.990, -50.142,  14.932)  ( 0.01,  0.02,  0.01)
173:     torsion ( -0.811,  -0.077,   1.712)  ( -0.811,  -0.077,   1.714)  ( 0.02,  0.00,  0.10)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.135,  -1.084,  16.039)  (  2.135,  -1.084,  16.039)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.168,  -0.831,   0.468)  ( -0.168,  -0.831,   0.468)  ( 0.00,  0.00,  0.00)
173: 27       (215.505, 204.878,  65.902)  (215.528, 204.903,  65.906)  ( 0.01,  0.01,  0.01)
173:     bond    (178.269,  51.348,  64.154)  (178.290,  51.364,  64.157)  ( 0.01,  0.03,  0.00)
173:     angle   ( 32.662, 155.314,   0.163)  ( 32.664, 155.322,   0.163)  ( 0.01,  0.01,  0.00)
173:     torsion (  0.325,  -0.050,  -0.859)  (  0.325,  -0.050,  -0.857)  ( 0.01,  0.00,  0.12)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.602,  -4.752,   2.472)  (  3.602,  -4.752,   2.472)  ( 0.01,  0.00,  0.00)
173:     electro (  0.647,   3.018,  -0.028)  (  0.647,   3.018,  -0.028)  ( 0.00,  0.00,  0.00)
173: 28       ( 79.090, -164.187,  43.019)  ( 79.122, -164.151,  43.028)  ( 0.04,  0.02,  0.02)
173:     bond    ( 29.223,  52.556,   7.122)  ( 29.247,  52.583,   7.125)  ( 0.08,  0.05,  0.05)
173:     angle   ( 52.488, -224.762,  35.854)  ( 52.495, -224.753,  35.856)  ( 0.01,  0.00,  0.01)
173:     torsion ( -0.555,   0.089,   1.476)  ( -0.554,   0.089,   1.479)  ( 0.02,  0.00,  0.19)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.194,   1.911,  -1.050)  ( -1.194,   1.911,  -1.050)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.872,   6.019,  -0.383)  ( -0.872,   6.019,  -0.383)  ( 0.00,  0.00,  0.00)
173: 29       (-19.992,  10.306,  -8.017)  (-19.972,  10.313,  -8.013)  ( 0.10,  0.07,  0.05)
173:     bond    (-23.634,   9.974,  -9.891)  (-23.614,   9.978,  -9.888)  ( 0.08,  0.04,  0.04)
173:     angle   (  4.940,  12.856,   1.179)  (  4.940,  12.859,   1.179)  ( 0.01,  0.03,  0.00)
173:     torsion (  0.275,  -0.037,  -0.696)  (  0.275,  -0.037,  -0.695)  ( 0.00,  0.00,  0.05)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.348, -10.851,  -0.672)  ( -3.348, -10.850,  -0.672)  ( 0.00,  0.00,  0.00)
173:     electro (  1.774,  -1.636,   2.064)  (  1.774,  -1.636,   2.064)  ( 0.00,  0.00,  0.00)
173: 30       ( 28.568, 118.247,   2.614)  ( 28.595, 118.276,   2.641)  ( 0.10,  0.02,  1.02)
173:     bond    ( 26.025,   1.138,   9.660)  ( 26.044,   1.157,   9.680)  ( 0.07,  1.67,  0.20)
173:     angle   ( -2.031, 105.588,  -8.649)  ( -2.023, 105.597,  -8.642)  ( 0.39,  0.01,  0.08)
173:     torsion ( -0.265,   0.055,   0.711)  ( -0.265,   0.055,   0.711)  ( 0.00,  0.00,  0.03)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.833,  12.485,   0.837)  (  4.833,  12.485,   0.837)  ( 0.00,  0.00,  0.00)
173:     electro (  0.006,  -1.018,   0.054)  (  0.006,  -1.018,   0.054)  ( 0.00,  0.00,  0.00)
173: 31       (-118.008, -29.322,  76.846)  (-117.980, -29.294,  76.872)  ( 0.02,  0.09,  0.03)
173:     bond    (-60.072,  25.033,  41.153)  (-60.053,  25.052,  41.171)  ( 0.03,  0.07,  0.04)
173:     angle   (-57.334, -58.998,  31.573)  (-57.325, -58.989,  31.580)  ( 0.01,  0.01,  0.02)
173:     torsion ( -0.243,   0.254,   1.067)  ( -0.243,   0.254,   1.068)  ( 0.01,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.358,   4.364,   3.091)  ( -0.358,   4.364,   3.091)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.002,   0.024,  -0.038)  ( -0.002,   0.024,  -0.038)  ( 0.00,  0.00,  0.00)
173: 32       ( 21.941,  96.497, -38.091)  ( 21.968,  96.524, -38.065)  ( 0.12,  0.03,  0.07)
173:     bond    (  6.399,  78.046, -23.251)  (  6.418,  78.064, -23.233)  ( 0.29,  0.02,  0.08)
173:     angle   ( 17.859,  16.298, -11.339)  ( 17.867,  16.307, -11.331)  ( 0.04,  0.05,  0.07)
173:     torsion (  0.103,   1.410,  -0.517)  (  0.103,   1.410,  -0.517)  ( 0.00,  0.02,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.984,   0.260,  -2.257)  ( -1.984,   0.260,  -2.257)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.436,   0.483,  -0.726)  ( -0.436,   0.483,  -0.726)  ( 0.00,  0.00,  0.00)
173: 33       ( -0.203, -82.320, -65.334)  ( -0.177, -82.294, -65.307)  ( 0.54,  0.03,  0.04)
173:     bond    (  0.483, -51.986, -43.271)  (  0.502, -51.967, -43.253)  ( 0.92,  0.04,  0.04)
173:     angle   (  0.825, -30.598, -10.208)  (  0.833, -30.590, -10.201)  ( 0.59,  0.03,  0.07)
173:     torsion (  0.419,  -0.019,   0.041)  (  0.420,  -0.019,   0.041)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.518,   0.166, -11.482)  ( -1.518,   0.166, -11.481)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.414,   0.116,  -0.413)  ( -0.414,   0.116,  -0.413)  ( 0.00,  0.00,  0.00)
173: 34       ( 28.189, -56.951,  -1.521)  ( 28.193, -56.938,  -1.518)  ( 0.02,  0.02,  0.17)
173:     bond    ( 22.740, -62.102,   3.059)  ( 22.742, -62.090,   3.059)  ( 0.01,  0.02,  0.01)
173:     angle   (  8.629,   2.796,  -7.421)  (  8.631,   2.796,  -7.419)  ( 0.03,  0.01,  0.03)
173:     torsion (  0.979,   0.305,  -1.082)  (  0.979,   0.305,  -1.082)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.351,   1.650,   3.098)  ( -4.351,   1.650,   3.098)  ( 0.00,  0.00,  0.00)
173:     electro (  0.192,   0.402,   0.825)  (  0.192,   0.402,   0.825)  ( 0.00,  0.00,  0.00)
173: 35       ( 23.961,  22.658, -58.454)  ( 23.965,  22.662, -58.442)  ( 0.01,  0.02,  0.02)
173:     bond    ( 15.695,  24.384, -60.652)  ( 15.696,  24.386, -60.640)  ( 0.01,  0.01,  0.02)
173:     angle   ( 12.639,  -1.024,   2.860)  ( 12.642,  -1.022,   2.861)  ( 0.02,  0.18,  0.02)
173:     torsion ( -0.438,   0.017,  -0.107)  ( -0.438,   0.017,  -0.107)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.537,  -1.666,  -1.662)  ( -4.537,  -1.666,  -1.662)  ( 0.00,  0.00,  0.00)
173:     electro (  0.603,   0.947,   1.106)  (  0.603,   0.947,   1.106)  ( 0.00,  0.00,  0.00)
173: 36       ( 63.903,   1.291,  -9.759)  ( 63.917,   1.294,  -9.756)  ( 0.02,  0.20,  0.03)
173:     bond    ( 65.790,  -3.836,  -9.623)  ( 65.804,  -3.836,  -9.622)  ( 0.02,  0.01,  0.01)
173:     angle   ( -0.500,   5.235,  -5.508)  ( -0.500,   5.237,  -5.506)  ( 0.00,  0.04,  0.04)
173:     torsion ( -0.009,  -0.753,   0.237)  ( -0.009,  -0.753,   0.237)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.878,   0.527,   4.101)  ( -0.878,   0.527,   4.101)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.499,   0.119,   1.034)  ( -0.499,   0.119,   1.034)  ( 0.00,  0.00,  0.00)
173: 37       ( -9.271,  60.648,  -9.108)  ( -9.268,  60.661,  -9.105)  ( 0.04,  0.02,  0.03)
173:     bond    (-17.431,  62.884,  -7.653)  (-17.430,  62.897,  -7.652)  ( 0.01,  0.02,  0.01)
173:     angle   (  8.734,   1.467,  -7.843)  (  8.736,   1.467,  -7.841)  ( 0.02,  0.01,  0.03)
173:     torsion (  1.973,   0.481,  -0.542)  (  1.973,   0.481,  -0.542)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.279,  -4.010,   5.533)  ( -2.279,  -4.010,   5.533)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.268,  -0.174,   1.397)  ( -0.268,  -0.174,   1.397)  ( 0.00,  0.00,  0.00)
173: 38       (-16.458, -18.347,  59.777)  (-16.455, -18.343,  59.789)  ( 0.02,  0.02,  0.02)
173:     bond    (-14.915, -23.631,  60.460)  (-14.914, -23.629,  60.472)  ( 0.01,  0.01,  0.02)
173:     angle   ( -6.543,   3.669,  -0.179)  ( -6.540,   3.671,  -0.179)  ( 0.04,  0.05,  0.01)
173:     torsion (  0.344,  -0.544,  -0.128)  (  0.344,  -0.544,  -0.128)  ( 0.00,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  3.903,   1.685,  -0.006)  (  3.903,   1.685,  -0.006)  ( 0.00,  0.00,  0.00)
173:     electro (  0.753,   0.475,  -0.371)  (  0.753,   0.475,  -0.371)  ( 0.00,  0.00,  0.00)
173: 39       (-25.095,  56.685,   3.665)  (-25.091,  56.698,   3.668)  ( 0.02,  0.02,  0.07)
173:     bond    (-22.755,  61.554,  -3.326)  (-22.753,  61.566,  -3.326)  ( 0.01,  0.02,  0.01)
173:     angle   ( -9.216,  -3.000,   7.499)  ( -9.213,  -3.000,   7.501)  ( 0.02,  0.01,  0.03)
173:     torsion ( -0.769,  -0.189,   1.757)  ( -0.769,  -0.189,   1.757)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.660,  -1.802,  -2.186)  (  6.660,  -1.802,  -2.186)  ( 0.00,  0.00,  0.00)
173:     electro (  0.985,   0.123,  -0.078)  (  0.985,   0.123,  -0.078)  ( 0.00,  0.00,  0.00)
173: 40       (-65.919,  -0.873,  16.880)  (-65.906,  -0.870,  16.884)  ( 0.02,  0.22,  0.02)
173:     bond    (-66.810,   3.375,  10.478)  (-66.796,   3.376,  10.478)  ( 0.02,  0.01,  0.01)
173:     angle   (  1.413,  -5.003,  10.616)  (  1.413,  -5.001,  10.618)  ( 0.01,  0.04,  0.02)
173:     torsion ( -0.080,  -0.246,  -0.431)  ( -0.080,  -0.246,  -0.431)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.119,  -0.016,  -3.644)  ( -0.119,  -0.016,  -3.644)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.323,   1.018,  -0.138)  ( -0.323,   1.018,  -0.138)  ( 0.00,  0.00,  0.00)
173: 41       ( 12.030, -60.568,  14.896)  ( 12.034, -60.555,  14.899)  ( 0.03,  0.02,  0.02)
173:     bond    ( 18.258, -63.191,   7.895)  ( 18.259, -63.178,   7.896)  ( 0.01,  0.02,  0.01)
173:     angle   ( -7.961,  -0.960,  10.725)  ( -7.959,  -0.960,  10.727)  ( 0.02,  0.02,  0.02)
173:     torsion ( -0.871,  -0.147,   0.836)  ( -0.871,  -0.147,   0.836)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.556,   3.027,  -5.023)  (  2.556,   3.028,  -5.023)  ( 0.00,  0.00,  0.00)
173:     electro (  0.049,   0.702,   0.463)  (  0.049,   0.702,   0.463)  ( 0.00,  0.00,  0.00)
173: 42       ( -9.460,  56.170,   5.244)  ( -9.457,  56.183,   5.247)  ( 0.04,  0.02,  0.05)
173:     bond    (-16.292,  56.900,  -2.500)  (-16.291,  56.913,  -2.500)  ( 0.01,  0.02,  0.01)
173:     angle   (  9.866,   3.363,  12.263)  (  9.868,   3.363,  12.266)  ( 0.02,  0.00,  0.02)
173:     torsion ( -0.024,  -0.006,   0.020)  ( -0.023,  -0.006,   0.020)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -2.417,  -3.477,  -3.780)  ( -2.417,  -3.477,  -3.780)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.594,  -0.611,  -0.759)  ( -0.594,  -0.611,  -0.759)  ( 0.00,  0.00,  0.00)
173: 43       ( 58.073,  -1.976,   2.889)  ( 58.087,  -1.973,   2.891)  ( 0.02,  0.13,  0.10)
173:     bond    ( 58.666,  -3.179,  -7.229)  ( 58.680,  -3.178,  -7.228)  ( 0.02,  0.01,  0.01)
173:     angle   (  1.855,   1.963,  14.192)  (  1.855,   1.965,  14.195)  ( 0.00,  0.11,  0.02)
173:     torsion (  0.010,  -0.247,   0.188)  (  0.010,  -0.247,   0.188)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.755,  -0.423,  -3.552)  ( -1.755,  -0.423,  -3.552)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.703,  -0.090,  -0.712)  ( -0.703,  -0.090,  -0.712)  ( 0.00,  0.00,  0.00)
173: 44       ( -2.553, -17.136,  55.620)  ( -2.550, -17.132,  55.633)  ( 0.12,  0.02,  0.02)
173:     bond    (-11.943, -20.711,  54.183)  (-11.942, -20.709,  54.195)  ( 0.01,  0.01,  0.02)
173:     angle   ( 12.833,   4.621,   4.594)  ( 12.835,   4.623,   4.595)  ( 0.02,  0.04,  0.01)
173:     torsion (  0.297,  -0.227,  -0.021)  (  0.297,  -0.227,  -0.021)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.070,  -0.743,  -2.352)  ( -3.070,  -0.743,  -2.352)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.671,  -0.076,  -0.784)  ( -0.671,  -0.076,  -0.784)  ( 0.00,  0.00,  0.00)
173: 45       ( 27.102,  34.168,   8.332)  ( 27.110,  34.177,   8.334)  ( 0.03,  0.03,  0.02)
173:     bond    ( 31.075,  30.987,   6.962)  ( 31.082,  30.994,   6.962)  ( 0.02,  0.02,  0.01)
173:     angle   ( -4.082,   3.876,   0.958)  ( -4.081,   3.877,   0.958)  ( 0.04,  0.04,  0.01)
173:     torsion ( -0.015,   0.166,  -0.674)  ( -0.015,   0.166,  -0.673)  ( 0.00,  0.00,  0.09)
173:     oop     (  0.003,  -0.054,   0.224)  (  0.003,  -0.054,   0.224)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.670,  -2.499,   0.018)  (  1.670,  -2.499,   0.018)  ( 0.01,  0.00,  0.00)
173:     electro ( -1.550,   1.693,   0.844)  ( -1.550,   1.693,   0.844)  ( 0.00,  0.00,  0.00)
173: 46       (  1.997,  42.527,  11.125)  (  2.002,  42.540,  11.127)  ( 0.24,  0.03,  0.02)
173:     bond    ( -7.218,  36.059,   9.415)  ( -7.217,  36.072,   9.416)  ( 0.01,  0.04,  0.01)
173:     angle   ( 33.747,   6.444,   1.182)  ( 33.751,   6.444,   1.182)  ( 0.01,  0.00,  0.00)
173:     torsion (  0.021,  -0.670,   2.582)  (  0.021,  -0.670,   2.583)  ( 0.00,  0.01,  0.05)
173:     oop     (  0.010,  -0.092,   0.361)  (  0.010,  -0.092,   0.361)  ( 0.00,  0.00,  0.00)
173:     vdw     (-23.961,  -0.589,  -2.766)  (-23.960,  -0.589,  -2.766)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.603,   1.374,   0.352)  ( -0.603,   1.374,   0.352)  ( 0.00,  0.00,  0.00)
173: 47       (  9.288, -38.945, -13.120)  (  9.293, -38.932, -13.118)  ( 0.05,  0.03,  0.02)
173:     bond    ( 11.188, -38.851, -10.799)  ( 11.189, -38.839, -10.798)  ( 0.01,  0.03,  0.01)
173:     angle   ( 14.206,   3.896,   0.711)  ( 14.210,   3.896,   0.711)  ( 0.02,  0.01,  0.00)
173:     torsion ( -0.076,   1.280,  -4.685)  ( -0.076,   1.281,  -4.684)  ( 0.00,  0.01,  0.03)
173:     oop     (  0.019,   0.262,  -0.924)  (  0.019,   0.262,  -0.924)  ( 0.00,  0.00,  0.01)
173:     vdw     (-16.315,  -5.485,   2.850)  (-16.314,  -5.485,   2.850)  ( 0.00,  0.00,  0.00)
173:     electro (  0.265,  -0.047,  -0.273)  (  0.265,  -0.047,  -0.273)  ( 0.00,  0.00,  0.00)
173: 48       (-60.403,  -5.035,  21.722)  (-60.390,  -5.032,  21.726)  ( 0.02,  0.06,  0.01)
173:     bond    (-64.105,  -1.676,  15.103)  (-64.092,  -1.676,  15.104)  ( 0.02,  0.02,  0.01)
173:     angle   (  1.444,  -3.785,   5.707)  (  1.444,  -3.783,   5.710)  ( 0.01,  0.06,  0.04)
173:     torsion (  0.505,   0.134,   2.158)  (  0.505,   0.134,   2.158)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.001,   0.692,  -0.603)  ( -0.001,   0.692,  -0.603)  ( 0.00,  0.00,  0.00)
173:     electro (  1.754,  -0.400,  -0.643)  (  1.754,  -0.400,  -0.643)  ( 0.00,  0.00,  0.00)
173: 49       (  6.656,  15.165,  51.683)  (  6.661,  15.170,  51.692)  ( 0.08,  0.03,  0.02)
173:     bond    ( 22.852,  22.698,  38.776)  ( 22.855,  22.701,  38.784)  ( 0.01,  0.01,  0.02)
173:     angle   (-29.656,  -3.057,  19.263)  (-29.655,  -3.055,  19.263)  ( 0.01,  0.07,  0.00)
173:     torsion (  0.273,   0.567,  -0.493)  (  0.274,   0.567,  -0.493)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 11.331,  -3.920,  -4.538)  ( 11.332,  -3.920,  -4.538)  ( 0.00,  0.00,  0.00)
173:     electro (  1.856,  -1.123,  -1.324)  (  1.856,  -1.123,  -1.324)  ( 0.00,  0.00,  0.00)
173: 50       (-19.312,  60.730,  -2.431)  (-19.308,  60.742,  -2.429)  ( 0.02,  0.02,  0.11)
173:     bond    (-22.985,  58.803,   4.459)  (-22.983,  58.816,   4.459)  ( 0.01,  0.02,  0.01)
173:     angle   (  3.694,   2.016,  -7.548)  (  3.695,   2.016,  -7.546)  ( 0.05,  0.01,  0.03)
173:     torsion (  0.076,   0.028,   0.025)  (  0.076,   0.028,   0.025)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.302,  -0.163,   0.422)  ( -0.302,  -0.163,   0.422)  ( 0.00,  0.00,  0.00)
173:     electro (  0.205,   0.045,   0.211)  (  0.205,   0.045,   0.211)  ( 0.00,  0.00,  0.00)
173: 51       ( 53.698,   9.523, -25.687)  ( 53.711,   9.525, -25.684)  ( 0.02,  0.03,  0.01)
173:     bond    ( 54.442,   4.355, -16.447)  ( 54.455,   4.355, -16.445)  ( 0.02,  0.01,  0.01)
173:     angle   ( -6.098,  11.773, -17.075)  ( -6.098,  11.775, -17.073)  ( 0.00,  0.02,  0.01)
173:     torsion ( -0.007,  -0.072,  -0.041)  ( -0.007,  -0.072,  -0.041)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  4.822,  -6.594,   7.573)  (  4.822,  -6.594,   7.573)  ( 0.00,  0.00,  0.00)
173:     electro (  0.538,   0.061,   0.303)  (  0.538,   0.061,   0.303)  ( 0.00,  0.00,  0.00)
173: 52       (-27.923, -23.350, -51.173)  (-27.918, -23.345, -51.164)  ( 0.02,  0.02,  0.02)
173:     bond    (-31.596, -29.504, -46.330)  (-31.592, -29.500, -46.323)  ( 0.01,  0.01,  0.02)
173:     angle   (  3.410,   6.639,  -6.557)  (  3.412,   6.641,  -6.556)  ( 0.04,  0.03,  0.02)
173:     torsion ( -0.166,   0.111,   0.042)  ( -0.166,   0.111,   0.042)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.262,  -0.833,   1.812)  (  0.262,  -0.833,   1.812)  ( 0.00,  0.00,  0.00)
173:     electro (  0.167,   0.237,  -0.139)  (  0.167,   0.237,  -0.139)  ( 0.00,  0.00,  0.00)
173: 53       ( 12.631, -21.243,  -9.249)  ( 12.635, -21.226,  -9.248)  ( 0.03,  0.08,  0.01)
173:     bond    (  1.828, -15.373,   2.162)  (  1.828, -15.357,   2.162)  ( 0.01,  0.11,  0.01)
173:     angle   (  8.565,   1.417,   2.819)  (  8.568,   1.417,   2.819)  ( 0.04,  0.01,  0.02)
173:     torsion (  1.344,  -0.306,  -3.313)  (  1.344,  -0.306,  -3.312)  ( 0.01,  0.00,  0.02)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.500,   1.282,   1.201)  (  0.500,   1.282,   1.201)  ( 0.00,  0.00,  0.00)
173:     electro (  0.394,  -8.262, -12.118)  (  0.394,  -8.262, -12.118)  ( 0.00,  0.00,  0.00)
173: 54       (-14.784, -53.918,  -1.022)  (-14.780, -53.905,  -1.020)  ( 0.03,  0.02,  0.23)
173:     bond    (-18.551, -53.271,  -2.633)  (-18.549, -53.258,  -2.632)  ( 0.01,  0.02,  0.01)
173:     angle   (  1.160,  -0.437,   0.650)  (  1.162,  -0.437,   0.652)  ( 0.18,  0.01,  0.13)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.402,  -0.248,   0.900)  (  2.402,  -0.248,   0.900)  ( 0.00,  0.00,  0.00)
173:     electro (  0.204,   0.038,   0.061)  (  0.204,   0.038,   0.061)  ( 0.00,  0.00,  0.00)
173: 55       (-30.552,  23.822,  40.548)  (-30.546,  23.827,  40.555)  ( 0.02,  0.02,  0.02)
173:     bond    (-33.370,  29.535,  35.300)  (-33.365,  29.539,  35.305)  ( 0.02,  0.01,  0.02)
173:     angle   ( -0.150,  -6.357,   5.176)  ( -0.149,  -6.355,   5.177)  ( 0.02,  0.02,  0.03)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  2.225,   1.329,  -0.281)  (  2.225,   1.329,  -0.281)  ( 0.00,  0.00,  0.00)
173:     electro (  0.743,  -0.686,   0.354)  (  0.743,  -0.686,   0.354)  ( 0.00,  0.00,  0.00)
173: 56       (  4.719,  16.441, -53.633)  (  4.722,  16.445, -53.621)  ( 0.06,  0.03,  0.02)
173:     bond    ( -0.778,  22.587, -52.280)  ( -0.778,  22.589, -52.268)  ( 0.02,  0.01,  0.02)
173:     angle   (  3.260,  -6.806,  -2.990)  (  3.263,  -6.805,  -2.989)  ( 0.07,  0.02,  0.01)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  1.444,   1.315,   1.369)  (  1.444,   1.315,   1.369)  ( 0.00,  0.00,  0.00)
173:     electro (  0.792,  -0.655,   0.268)  (  0.792,  -0.655,   0.268)  ( 0.00,  0.00,  0.00)
173: 57       ( -1.732, -47.778, -45.510)  ( -1.730, -47.767, -45.503)  ( 0.15,  0.02,  0.01)
173:     bond    (  3.795, -54.841, -38.148)  (  3.796, -54.832, -38.144)  ( 0.01,  0.02,  0.01)
173:     angle   ( -2.631,   5.826,  -8.640)  ( -2.629,   5.827,  -8.638)  ( 0.08,  0.01,  0.02)
173:     torsion (  0.589,  -0.017,   0.083)  (  0.589,  -0.017,   0.083)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -4.066,   1.758,   0.897)  ( -4.066,   1.758,   0.897)  ( 0.00,  0.00,  0.00)
173:     electro (  0.581,  -0.504,   0.299)  (  0.581,  -0.504,   0.299)  ( 0.00,  0.00,  0.00)
173: 58       ( 50.420,  36.227, -10.971)  ( 50.432,  36.232, -10.968)  ( 0.02,  0.01,  0.03)
173:     bond    ( 55.952,  31.133,  -6.287)  ( 55.963,  31.136,  -6.286)  ( 0.02,  0.01,  0.01)
173:     angle   ( -2.282,   2.522,  -7.819)  ( -2.282,   2.523,  -7.817)  ( 0.02,  0.07,  0.03)
173:     torsion (  0.052,  -0.097,  -0.018)  (  0.052,  -0.097,  -0.018)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -3.740,   3.140,   2.809)  ( -3.740,   3.140,   2.809)  ( 0.00,  0.00,  0.00)
173:     electro (  0.439,  -0.470,   0.344)  (  0.439,  -0.470,   0.344)  ( 0.00,  0.00,  0.00)
173: 59       (-56.455, -35.574,   6.114)  (-56.444, -35.569,   6.117)  ( 0.02,  0.02,  0.05)
173:     bond    (-59.090, -35.589,   6.014)  (-59.080, -35.585,   6.015)  ( 0.02,  0.01,  0.01)
173:     angle   (  1.971,  -2.844,   2.547)  (  1.971,  -2.842,   2.550)  ( 0.03,  0.05,  0.09)
173:     torsion ( -0.002,  -0.041,  -0.260)  ( -0.002,  -0.041,  -0.260)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.254,   2.953,  -2.641)  (  0.254,   2.953,  -2.641)  ( 0.00,  0.00,  0.00)
173:     electro (  0.412,  -0.053,   0.454)  (  0.412,  -0.053,   0.454)  ( 0.00,  0.00,  0.00)
173: 60       ( 50.380, -43.074,  21.150)  ( 50.389, -43.067,  21.153)  ( 0.02,  0.02,  0.02)
173:     bond    ( 52.215, -43.110,  20.266)  ( 52.222, -43.104,  20.268)  ( 0.02,  0.01,  0.01)
173:     angle   ( -0.583,  -0.346,   0.764)  ( -0.582,  -0.345,   0.766)  ( 0.05,  0.05,  0.17)
173:     torsion ( -1.138,  -1.119,   0.554)  ( -1.138,  -1.119,   0.554)  ( 0.01,  0.01,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.230,   1.391,  -0.524)  ( -0.230,   1.391,  -0.524)  ( 0.00,  0.00,  0.00)
173:     electro (  0.117,   0.110,   0.090)  (  0.117,   0.110,   0.090)  ( 0.00,  0.00,  0.00)
173: 61       ( -6.760,  -9.653,  62.290)  ( -6.757,  -9.649,  62.303)  ( 0.04,  0.04,  0.02)
173:     bond    ( -5.707, -18.261,  60.173)  ( -5.707, -18.260,  60.185)  ( 0.01,  0.01,  0.02)
173:     angle   ( -2.134,   9.751,   2.757)  ( -2.132,   9.754,   2.757)  ( 0.09,  0.02,  0.01)
173:     torsion (  0.825,  -0.029,   0.070)  (  0.825,  -0.029,   0.070)  ( 0.01,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.163,  -1.019,  -0.626)  (  0.163,  -1.019,  -0.626)  ( 0.00,  0.00,  0.00)
173:     electro (  0.093,  -0.096,  -0.083)  (  0.093,  -0.096,  -0.083)  ( 0.00,  0.00,  0.00)
173: 62       ( 48.800,  36.802,  -0.913)  ( 48.811,  36.808,  -0.910)  ( 0.02,  0.02,  0.23)
173:     bond    ( 52.179,  33.691,  -4.765)  ( 52.189,  33.695,  -4.765)  ( 0.02,  0.01,  0.01)
173:     angle   ( -2.735,   5.228,   7.025)  ( -2.734,   5.229,   7.028)  ( 0.02,  0.03,  0.03)
173:     torsion ( -0.332,   0.433,  -0.571)  ( -0.332,   0.433,  -0.571)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.358,  -2.314,  -2.542)  ( -0.358,  -2.314,  -2.542)  ( 0.00,  0.00,  0.00)
173:     electro (  0.045,  -0.235,  -0.060)  (  0.045,  -0.235,  -0.060)  ( 0.00,  0.00,  0.00)
173: 63       (-44.626,  39.990,  -8.474)  (-44.617,  39.997,  -8.471)  ( 0.02,  0.02,  0.04)
173:     bond    (-46.989,  36.366, -12.293)  (-46.980,  36.371, -12.293)  ( 0.02,  0.01,  0.01)
173:     angle   (  1.890,   6.515,  12.055)  (  1.890,   6.517,  12.057)  ( 0.04,  0.02,  0.02)
173:     torsion ( -0.548,  -0.498,   0.621)  ( -0.548,  -0.498,   0.621)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  0.844,  -2.227,  -8.803)  (  0.844,  -2.227,  -8.803)  ( 0.00,  0.00,  0.00)
173:     electro (  0.176,  -0.165,  -0.054)  (  0.176,  -0.165,  -0.054)  ( 0.00,  0.00,  0.00)
173: ok 36 # gradients 
173: ok 37 # energy 
173: 
173: V A L I D A T E   G R A D I E N T S
173: 
173: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
173: ----------------------------------------------------------------------------------------
173:  1       (217.044, -41.967,   0.965)  (217.081, -41.921,   0.968)  ( 0.02,  0.11,  0.32)
173:     bond    ( 98.283, -136.446,   0.429)  ( 98.310, -136.411,   0.430)  ( 0.03,  0.03,  0.03)
173:     angle   (108.109,  94.020,  -0.224)  (108.119,  94.030,  -0.224)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.000,   0.002,   0.769)  ( -0.000,   0.002,   0.772)  ( 0.00,  0.00,  0.21)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (  6.972,   1.025,  -0.006)  (  6.972,   1.026,  -0.006)  ( 0.00,  0.02,  0.00)
173:     electro (  3.680,  -0.569,  -0.004)  (  3.680,  -0.569,  -0.004)  ( 0.00,  0.00,  0.00)
173:  2       (-47.166, -62.201,   0.047)  (-47.133, -62.163,   0.053)  ( 0.07,  0.06,  0.03)
173:     bond    (  2.183, -37.674,  -0.047)  (  2.207, -37.646,  -0.047)  ( 1.12,  0.07,  0.00)
173:     angle   (-48.885, -24.699,   0.210)  (-48.876, -24.689,   0.211)  ( 0.02,  0.04,  0.03)
173:     torsion ( -0.000,  -0.001,  -0.116)  ( -0.000,  -0.001,  -0.111)  ( 0.00,  0.00,  0.06)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.464,   0.172,  -0.000)  ( -0.464,   0.172,  -0.000)  ( 0.00,  0.00,  0.00)
173:  3       ( -0.007,  -0.199,  -0.169)  (  0.025,  -0.163,  -0.163)  ( 0.02,  0.71,  0.09)
173:     bond    ( -8.735,  15.518,   0.028)  ( -8.712,  15.547,   0.027)  ( 0.27,  0.18,  0.00)
173:     angle   ( 32.220, -21.912,  -0.057)  ( 32.229, -21.905,  -0.057)  ( 0.03,  0.03,  0.00)
173:     torsion ( -0.000,   0.000,  -0.167)  ( -0.000,   0.000,  -0.162)  ( 0.00,  0.00,  0.10)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-21.286,   6.216,   0.027)  (-21.286,   6.216,   0.027)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.206,  -0.021,   0.001)  ( -2.206,  -0.021,   0.001)  ( 0.00,  0.00,  0.00)
173:  4       ( 48.113,  21.924,  -0.078)  ( 48.140,  21.952,  -0.052)  ( 0.06,  0.12,  0.21)
173:     bond    (  5.579,   9.409,  -0.160)  (  5.598,   9.427,  -0.141)  ( 0.34,  0.20,  0.30)
173:     angle   ( 55.601,  17.739,  -0.020)  ( 55.610,  17.748,  -0.014)  ( 0.02,  0.05,  0.01)
173:     torsion (  0.000,  -0.000,   0.125)  (  0.000,  -0.000,   0.125)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-12.294,  -5.214,  -0.022)  (-12.294,  -5.214,  -0.022)  ( 0.00,  0.00,  0.00)
173:     electro ( -0.773,  -0.009,  -0.001)  ( -0.773,  -0.009,  -0.001)  ( 0.00,  0.00,  0.00)
173:  5       ( 32.755, -22.139,  -0.348)  ( 32.766, -22.118,  -0.348)  ( 0.03,  0.10,  0.02)
173:     bond    ( -4.057,  -6.858,  -0.005)  ( -4.050,  -6.838,  -0.005)  ( 0.17,  0.29,  0.00)
173:     angle   ( -2.186,   1.292,  -0.127)  ( -2.183,   1.293,  -0.127)  ( 0.14,  0.08,  0.00)
173:     torsion (  0.001,  -0.000,  -0.181)  (  0.001,  -0.000,  -0.180)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 38.247,  -9.107,  -0.046)  ( 38.248,  -9.107,  -0.046)  ( 0.00,  0.00,  0.00)
173:     electro (  0.751,  -7.466,   0.010)  (  0.751,  -7.466,   0.010)  ( 0.00,  0.00,  0.00)
173:  6       (-165.539,  22.277,  -0.538)  (-165.515,  22.298,  -0.537)  ( 0.01,  0.09,  0.04)
173:     bond    (-102.426, 142.178,  -0.414)  (-102.405, 142.193,  -0.414)  ( 0.02,  0.01,  0.02)
173:     angle   (-102.464, -133.859,   0.470)  (-102.461, -133.854,   0.469)  ( 0.00,  0.00,  0.05)
173:     torsion ( -0.000,  -0.002,  -0.668)  ( -0.000,  -0.002,  -0.667)  ( 0.00,  0.00,  0.08)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( 44.794,  13.953,   0.080)  ( 44.796,  13.953,   0.080)  ( 0.00,  0.00,  0.00)
173:     electro ( -5.443,   0.007,  -0.005)  ( -5.443,   0.007,  -0.005)  ( 0.00,  0.00,  0.00)
173:  7       (-20.820,  26.022,   0.060)  (-20.805,  26.025,   0.061)  ( 0.07,  0.01,  0.01)
173:     bond    (-20.292,   0.224,   0.019)  (-20.278,   0.223,   0.019)  ( 0.07,  0.00,  0.00)
173:     angle   (  0.222,  20.146,   0.024)  (  0.222,  20.149,   0.024)  ( 0.00,  0.02,  0.00)
173:     torsion (  0.000,  -0.000,   0.009)  (  0.000,  -0.000,   0.010)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -1.726,   5.394,   0.008)  ( -1.726,   5.394,   0.008)  ( 0.00,  0.00,  0.00)
173:     electro (  0.976,   0.259,   0.001)  (  0.976,   0.259,   0.001)  ( 0.00,  0.00,  0.00)
173:  8       (-23.697,  38.579,   0.065)  (-23.690,  38.590,   0.066)  ( 0.03,  0.03,  0.01)
173:     bond    ( 10.313,  17.407,   0.011)  ( 10.317,  17.417,   0.011)  ( 0.04,  0.06,  0.00)
173:     angle   (-17.330,  10.263,   0.028)  (-17.328,  10.264,   0.028)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.000,   0.000,  -0.005)  ( -0.000,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-19.009,  11.655,   0.032)  (-19.008,  11.656,   0.032)  ( 0.00,  0.00,  0.00)
173:     electro (  2.329,  -0.747,  -0.001)  (  2.329,  -0.747,  -0.001)  ( 0.00,  0.00,  0.00)
173:  9       (-41.100, -31.821,  -0.090)  (-41.092, -31.812,  -0.088)  ( 0.02,  0.03,  0.02)
173:     bond    (  3.583,  -4.301,  -0.008)  (  3.589,  -4.293,  -0.008)  ( 0.16,  0.19,  0.00)
173:     angle   (-11.835,  -9.893,  -0.020)  (-11.834,  -9.892,  -0.018)  ( 0.01,  0.01,  0.00)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     (-34.686, -18.266,  -0.067)  (-34.685, -18.266,  -0.067)  ( 0.00,  0.00,  0.00)
173:     electro (  1.838,   0.640,   0.005)  (  1.838,   0.640,   0.005)  ( 0.00,  0.00,  0.00)
173: 10       ( -8.246, -17.014,   1.017)  ( -8.240, -17.012,   1.027)  ( 0.07,  0.01,  0.99)
173:     bond    ( -3.280,  -0.271,   4.647)  ( -3.275,  -0.271,   4.656)  ( 0.14,  0.00,  0.20)
173:     angle   ( -5.220, -13.791,  -4.475)  ( -5.218, -13.789,  -4.474)  ( 0.03,  0.02,  0.02)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.507,  -2.830,   0.968)  ( -0.507,  -2.830,   0.968)  ( 0.00,  0.00,  0.00)
173:     electro (  0.762,  -0.121,  -0.123)  (  0.762,  -0.121,  -0.123)  ( 0.00,  0.00,  0.00)
173: 11       ( -8.139, -17.024,  -0.916)  ( -8.133, -17.022,  -0.906)  ( 0.08,  0.01,  0.92)
173:     bond    ( -3.185,  -0.252,  -4.513)  ( -3.180,  -0.252,  -4.504)  ( 0.15,  0.00,  0.21)
173:     angle   ( -5.204, -13.823,   4.447)  ( -5.203, -13.821,   4.447)  ( 0.03,  0.02,  0.02)
173:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.510,  -2.828,  -0.973)  ( -0.510,  -2.827,  -0.973)  ( 0.00,  0.00,  0.00)
173:     electro (  0.759,  -0.122,   0.123)  (  0.759,  -0.122,   0.123)  ( 0.00,  0.00,  0.00)
173: 12       ( 16.579,  83.343,  -0.081)  ( 16.595,  83.346,  -0.081)  ( 0.09,  0.00,  0.00)
173:     bond    ( 21.865,   0.904,  -0.025)  ( 21.880,   0.904,  -0.025)  ( 0.07,  0.01,  0.00)
173:     angle   ( -3.076,  74.463,  -0.266)  ( -3.076,  74.465,  -0.267)  ( 0.00,  0.00,  0.01)
173:     torsion (  0.000,   0.001,   0.216)  (  0.000,   0.001,   0.216)  ( 0.00,  0.00,  0.01)
173:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
173:     electro ( -2.210,   7.976,  -0.006)  ( -2.210,   7.976,  -0.006)  ( 0.00,  0.00,  0.00)
173: ok 38 # gradients 
173: 1..38
174:     bond    (-35.273, -59.048,  -4.681)  (-35.239, -59.012,  -4.645)  ( 0.10,  0.06,  0.77)
174:     angle   (  2.958,  -4.652,  -6.413)  (  2.968,  -4.643,  -6.403)  ( 0.35,  0.21,  0.15)
174:     torsion (-10.119,   7.010,  -5.676)  (-10.119,   7.010,  -5.676)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.723,  -1.168,   1.011)  ( -0.723,  -1.168,   1.011)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (-100.883,  87.937,  23.820)  (-100.833,  87.984,  23.865)  ( 0.05,  0.05,  0.19)
174:     bond    (-17.248,  54.348,  -8.568)  (-17.211,  54.384,  -8.534)  ( 0.21,  0.07,  0.40)
174:     angle   (-68.485,  29.034,  43.678)  (-68.473,  29.044,  43.688)  ( 0.02,  0.04,  0.02)
174:     torsion (-12.304,   3.441,  -6.010)  (-12.304,   3.441,  -6.009)  ( 0.00,  0.01,  0.01)
174:     vdw     ( -2.845,   1.115,  -5.280)  ( -2.845,   1.115,  -5.280)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       ( 83.272,  35.908, -40.149)  ( 83.320,  35.955, -40.100)  ( 0.06,  0.13,  0.12)
174:     bond    ( 87.746, -16.745,  66.765)  ( 87.783, -16.709,  66.800)  ( 0.04,  0.21,  0.05)
174:     angle   ( -1.809,  46.196, -96.218)  ( -1.799,  46.206, -96.206)  ( 0.56,  0.02,  0.01)
174:     torsion (  0.427,   6.068,  -7.908)  (  0.427,   6.068,  -7.908)  ( 0.01,  0.01,  0.01)
174:     vdw     ( -3.092,   0.390,  -2.787)  ( -3.091,   0.390,  -2.787)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       ( 89.504, -10.397,  77.576)  ( 89.552, -10.348,  77.622)  ( 0.05,  0.47,  0.06)
174:     bond    (123.465,  45.957,   9.509)  (123.502,  45.993,   9.544)  ( 0.03,  0.08,  0.38)
174:     angle   (-29.372, -47.675,  85.067)  (-29.361, -47.662,  85.076)  ( 0.04,  0.03,  0.01)
174:     torsion ( -2.621,  -5.704, -17.085)  ( -2.620,  -5.703, -17.083)  ( 0.01,  0.01,  0.01)
174:     vdw     ( -1.968,  -2.976,   0.085)  ( -1.968,  -2.976,   0.085)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-16.876, 120.283, -38.120)  (-16.799, 120.339, -38.106)  ( 0.46,  0.05,  0.03)
174:     bond    (-49.888, 112.320, -15.047)  (-49.824, 112.364, -15.045)  ( 0.13,  0.04,  0.02)
174:     angle   ( 29.879,  10.202, -44.047)  ( 29.891,  10.213, -44.044)  ( 0.04,  0.11,  0.01)
174:     torsion (  2.169,   4.373,  21.249)  (  2.169,   4.374,  21.256)  ( 0.01,  0.01,  0.03)
174:     vdw     (  0.964,  -6.612,  -0.274)  (  0.964,  -6.612,  -0.274)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (-12.755,  -8.547,  19.128)  (-12.683,  -8.491,  19.140)  ( 0.56,  0.65,  0.07)
174:     bond    (-33.935,  21.618,  -4.334)  (-33.870,  21.663,  -4.332)  ( 0.19,  0.21,  0.04)
174:     angle   ( 18.512, -26.882,  13.525)  ( 18.518, -26.871,  13.527)  ( 0.03,  0.04,  0.01)
174:     torsion ( -1.569,  -1.258,   8.280)  ( -1.569,  -1.258,   8.289)  ( 0.00,  0.02,  0.11)
174:     vdw     (  3.877,  -1.998,   1.768)  (  3.877,  -1.997,   1.768)  ( 0.00,  0.01,  0.00)
174:     electro (  0.360,  -0.027,  -0.111)  (  0.360,  -0.027,  -0.111)  ( 0.00,  0.00,  0.00)
174:  7       ( 16.723, -19.158, -22.610)  ( 16.771, -19.109, -22.565)  ( 0.29,  0.25,  0.20)
174:     bond    (-40.310,  17.683,   2.533)  (-40.275,  17.720,   2.569)  ( 0.09,  0.21,  1.42)
174:     angle   ( 56.487, -28.902, -14.426)  ( 56.499, -28.891, -14.419)  ( 0.02,  0.04,  0.05)
174:     torsion (  0.746,  -4.538, -14.758)  (  0.747,  -4.538, -14.757)  ( 0.02,  0.00,  0.01)
174:     vdw     ( -0.200,  -3.401,   4.042)  ( -0.200,  -3.401,   4.043)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (-77.334,  40.329,  40.858)  (-77.286,  40.377,  40.905)  ( 0.06,  0.12,  0.12)
174:     bond    (-39.454,  13.633, -79.926)  (-39.418,  13.669, -79.890)  ( 0.09,  0.26,  0.05)
174:     angle   (-37.693,  29.316, 117.397)  (-37.682,  29.327, 117.407)  ( 0.03,  0.04,  0.01)
174:     torsion ( -2.457,  -0.129,   5.851)  ( -2.457,  -0.129,   5.852)  ( 0.02,  0.01,  0.02)
174:     vdw     (  2.270,  -2.491,  -2.463)  (  2.271,  -2.491,  -2.463)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       (-32.727,  72.726, -92.423)  (-32.676,  72.773, -92.377)  ( 0.15,  0.06,  0.05)
174:     bond    (-70.963,  69.134, -38.807)  (-70.925,  69.169, -38.773)  ( 0.05,  0.05,  0.09)
174:     angle   ( 35.155,  12.704, -44.465)  ( 35.166,  12.715, -44.454)  ( 0.03,  0.09,  0.02)
174:     torsion (  1.189,  -6.727, -14.033)  (  1.189,  -6.727, -14.032)  ( 0.04,  0.01,  0.01)
174:     vdw     (  1.893,  -2.384,   4.882)  (  1.893,  -2.384,   4.882)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 10       ( 44.464, -48.929,  61.410)  ( 44.508, -48.879,  61.457)  ( 0.10,  0.10,  0.08)
174:     bond    ( 67.926,  38.675,   8.425)  ( 67.960,  38.713,   8.462)  ( 0.05,  0.10,  0.44)
174:     angle   (-27.457, -76.524,  61.567)  (-27.447, -76.512,  61.578)  ( 0.04,  0.02,  0.02)
174:     torsion ( -0.580,  -7.062,  -4.838)  ( -0.580,  -7.062,  -4.838)  ( 0.01,  0.00,  0.00)
174:     vdw     (  4.575,  -4.018,  -3.745)  (  4.575,  -4.018,  -3.744)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       ( 38.280,  17.925,   3.568)  ( 38.330,  17.968,   3.615)  ( 0.13,  0.24,  1.30)
174:     bond    (-69.082, -10.191, -36.229)  (-69.044, -10.157, -36.192)  ( 0.05,  0.33,  0.10)
174:     angle   (107.978,  26.787,  34.426)  (107.991,  26.797,  34.436)  ( 0.01,  0.04,  0.03)
174:     torsion ( -1.672,   4.500,   7.054)  ( -1.673,   4.500,   7.054)  ( 0.01,  0.00,  0.00)
174:     vdw     (  1.056,  -3.172,  -1.683)  (  1.056,  -3.172,  -1.683)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (-98.542,  74.045,   2.083)  (-98.495,  74.097,   2.128)  ( 0.05,  0.07,  2.18)
174:     bond    (-141.621, 186.409,  73.122)  (-141.586, 186.449,  73.158)  ( 0.02,  0.02,  0.05)
174:     angle   ( 34.325, -116.783, -77.784)  ( 34.337, -116.772, -77.775)  ( 0.03,  0.01,  0.01)
174:     torsion (  5.221,   5.365,   2.771)  (  5.221,   5.366,   2.771)  ( 0.00,  0.01,  0.01)
174:     vdw     (  3.533,  -0.946,   3.974)  (  3.533,  -0.946,   3.974)  ( 0.00,  0.02,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       ( 36.346, -83.238,  61.357)  ( 36.394, -83.190,  61.402)  ( 0.13,  0.06,  0.07)
174:     bond    (147.059, -249.016,  46.400)  (147.096, -248.980,  46.437)  ( 0.03,  0.01,  0.08)
174:     angle   (-110.087, 158.572,  20.299)  (-110.076, 158.583,  20.307)  ( 0.01,  0.01,  0.04)
174:     torsion ( -0.419,   7.923,  -3.565)  ( -0.419,   7.923,  -3.565)  ( 0.01,  0.01,  0.01)
174:     vdw     ( -0.207,  -0.717,  -1.777)  ( -0.207,  -0.717,  -1.777)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 14       (-48.694, -19.654, -22.015)  (-48.645, -19.604, -21.969)  ( 0.10,  0.25,  0.21)
174:     bond    (-177.197, 144.883, -85.836)  (-177.159, 144.920, -85.800)  ( 0.02,  0.03,  0.04)
174:     angle   (124.575, -165.352,  61.932)  (124.586, -165.340,  61.941)  ( 0.01,  0.01,  0.01)
174:     torsion (  3.993,  -1.169,  -0.328)  (  3.993,  -1.169,  -0.328)  ( 0.01,  0.03,  0.02)
174:     vdw     ( -0.065,   1.984,   2.217)  ( -0.065,   1.985,   2.217)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 15       (-71.792, -15.511,   1.596)  (-71.745, -15.461,   1.641)  ( 0.07,  0.32,  2.85)
174:     bond    ( 20.082, -185.807,  55.479)  ( 20.118, -185.771,  55.516)  ( 0.18,  0.02,  0.07)
174:     angle   (-91.970, 175.343, -54.362)  (-91.959, 175.356, -54.354)  ( 0.01,  0.01,  0.01)
174:     torsion ( -3.370,   1.693,  -3.891)  ( -3.369,   1.694,  -3.891)  ( 0.01,  0.02,  0.02)
174:     vdw     (  3.466,  -6.740,   4.370)  (  3.466,  -6.740,   4.370)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       ( 51.385, -21.587,  21.356)  ( 51.434, -21.539,  21.402)  ( 0.10,  0.22,  0.21)
174:     bond    (-19.694, 121.030, -58.118)  (-19.656, 121.065, -58.081)  ( 0.19,  0.03,  0.06)
174:     angle   ( 69.837, -141.903,  61.310)  ( 69.849, -141.891,  61.318)  ( 0.02,  0.01,  0.01)
174:     torsion (  2.559,  -0.466,  18.458)  (  2.560,  -0.466,  18.459)  ( 0.00,  0.02,  0.00)
174:     vdw     ( -1.318,  -0.247,  -0.294)  ( -1.318,  -0.247,  -0.294)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 17       (-10.253, -102.133, -51.010)  (-10.207, -102.084, -50.966)  ( 0.45,  0.05,  0.09)
174:     bond    (-28.447, -159.003,  29.684)  (-28.413, -158.965,  29.719)  ( 0.12,  0.02,  0.12)
174:     angle   ( 12.943,  52.128, -74.991)  ( 12.954,  52.138, -74.982)  ( 0.09,  0.02,  0.01)
174:     torsion (  3.356,   4.210,  -5.951)  (  3.357,   4.210,  -5.951)  ( 0.01,  0.01,  0.01)
174:     vdw     (  1.895,   0.533,   0.247)  (  1.895,   0.533,   0.247)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       (-54.928, 102.095,  29.273)  (-54.879, 102.144,  29.321)  ( 0.09,  0.05,  0.16)
174:     bond    ( 11.301,  32.987,  -2.137)  ( 11.337,  33.023,  -2.101)  ( 0.32,  0.11,  1.69)
174:     angle   (-69.740,  63.731,  23.901)  (-69.728,  63.743,  23.912)  ( 0.02,  0.02,  0.05)
174:     torsion (  5.988,   1.482,   9.002)  (  5.988,   1.482,   9.002)  ( 0.00,  0.01,  0.01)
174:     vdw     ( -2.477,   3.896,  -1.492)  ( -2.477,   3.896,  -1.492)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       ( 69.073,  20.711,  31.491)  ( 69.123,  20.760,  31.539)  ( 0.07,  0.24,  0.15)
174:     bond    (-21.798,  14.016,  -5.128)  (-21.761,  14.052,  -5.092)  ( 0.17,  0.26,  0.70)
174:     angle   ( 80.219,   8.337,  47.063)  ( 80.232,   8.349,  47.075)  ( 0.02,  0.15,  0.02)
174:     torsion (  3.727,  -2.310,  -8.511)  (  3.727,  -2.310,  -8.511)  ( 0.00,  0.02,  0.00)
174:     vdw     (  6.925,   0.668,  -1.933)  (  6.925,   0.668,  -1.933)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       ( -7.171,  23.454, -62.548)  ( -7.123,  23.503, -62.499)  ( 0.67,  0.21,  0.08)
174:     bond    ( 23.122, -25.258,  29.921)  ( 23.158, -25.222,  29.958)  ( 0.16,  0.14,  0.12)
174:     angle   (-11.516,  45.007, -87.338)  (-11.504,  45.019, -87.325)  ( 0.10,  0.03,  0.01)
174:     torsion ( -9.097,  -1.641,   0.497)  ( -9.097,  -1.640,   0.497)  ( 0.00,  0.02,  0.00)
174:     vdw     ( -9.681,   5.346,  -5.628)  ( -9.680,   5.346,  -5.628)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (144.865, -30.438, -24.155)  (144.917, -30.393, -24.106)  ( 0.04,  0.15,  0.20)
174:     bond    (239.288,   1.092, -29.295)  (239.327,   1.126, -29.259)  ( 0.02,  3.11,  0.12)
174:     angle   (-88.078, -27.976,   1.591)  (-88.067, -27.965,   1.604)  ( 0.01,  0.04,  0.78)
174:     torsion ( -7.170,  -3.843,   5.011)  ( -7.169,  -3.842,   5.012)  ( 0.01,  0.02,  0.01)
174:     vdw     (  0.825,   0.289,  -1.463)  (  0.825,   0.289,  -1.463)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       (-20.334,   2.956,  65.639)  (-20.286,   3.004,  65.690)  ( 0.24,  1.64,  0.08)
174:     bond    ( 19.005, -37.785, -74.502)  ( 19.040, -37.749, -74.464)  ( 0.19,  0.10,  0.05)
174:     angle   (-42.069,  41.502, 132.387)  (-42.057,  41.514, 132.400)  ( 0.03,  0.03,  0.01)
174:     torsion (  2.721,  -5.226,   2.966)  (  2.721,  -5.225,   2.966)  ( 0.02,  0.01,  0.00)
174:     vdw     (  0.010,   4.465,   4.787)  (  0.010,   4.465,   4.787)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       (-11.747,  14.520, -78.438)  (-11.700,  14.568, -78.390)  ( 0.40,  0.33,  0.06)
174:     bond    (-71.103, -56.281,  36.238)  (-71.066, -56.245,  36.274)  ( 0.05,  0.06,  0.10)
174:     angle   ( 64.964,  52.726, -106.755)  ( 64.974,  52.736, -106.743)  ( 0.02,  0.02,  0.01)
174:     torsion ( -1.038,  13.634,  -5.367)  ( -1.037,  13.635,  -5.367)  ( 0.03,  0.01,  0.01)
174:     vdw     ( -4.571,   4.440,  -2.554)  ( -4.571,   4.441,  -2.554)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       (-32.475,  31.345,  32.192)  (-32.426,  31.394,  32.237)  ( 0.15,  0.16,  0.14)
174:     bond    (102.715, -66.398, -21.758)  (102.751, -66.360, -21.722)  ( 0.03,  0.06,  0.16)
174:     angle   (-123.808,  88.959,  53.785)  (-123.795,  88.970,  53.794)  ( 0.01,  0.01,  0.02)
174:     torsion (-10.267,   8.070,   8.876)  (-10.266,   8.070,   8.877)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -1.115,   0.714,  -8.712)  ( -1.115,   0.714,  -8.711)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       (-103.569, -128.136,  25.148)  (-103.521, -128.087,  25.195)  ( 0.05,  0.04,  0.19)
174:     bond    (-211.119, -73.410, 130.098)  (-211.083, -73.372, 130.134)  ( 0.02,  0.05,  0.03)
174:     angle   (101.310, -53.221, -82.739)  (101.321, -53.210, -82.729)  ( 0.01,  0.02,  0.01)
174:     torsion (  5.623,  -5.739, -21.891)  (  5.624,  -5.739, -21.890)  ( 0.01,  0.01,  0.00)
174:     vdw     (  0.617,   4.234,  -0.319)  (  0.617,   4.234,  -0.319)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 26       (148.003, -52.584, -46.357)  (148.054, -52.537, -46.309)  ( 0.03,  0.09,  0.10)
174:     bond    (221.998, -39.244, -98.043)  (222.035, -39.208, -98.006)  ( 0.02,  0.09,  0.04)
174:     angle   (-70.313, -11.690,  49.482)  (-70.300, -11.680,  49.490)  ( 0.02,  0.09,  0.02)
174:     torsion ( -2.951,  -1.563,   3.076)  ( -2.951,  -1.562,   3.078)  ( 0.01,  0.06,  0.06)
174:     vdw     ( -0.731,  -0.087,  -0.871)  ( -0.731,  -0.086,  -0.871)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 27       (-28.670,   8.134,  59.350)  (-28.622,   8.183,  59.400)  ( 0.17,  0.60,  0.09)
174:     bond    ( 16.428, -45.067, -62.295)  ( 16.463, -45.031, -62.257)  ( 0.22,  0.08,  0.06)
174:     angle   (-41.522,  59.612, 114.960)  (-41.510,  59.624, 114.973)  ( 0.03,  0.02,  0.01)
174:     torsion ( -2.101,  -4.714,   1.575)  ( -2.100,  -4.713,   1.575)  ( 0.02,  0.01,  0.01)
174:     vdw     ( -1.474,  -1.697,   5.109)  ( -1.474,  -1.697,   5.109)  ( 0.02,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 28       (-65.776, -116.444, -168.849)  (-65.743, -116.432, -168.814)  ( 0.05,  0.01,  0.02)
174:     bond    (-91.400, -64.178, -145.605)  (-91.369, -64.168, -145.576)  ( 0.03,  0.02,  0.02)
174:     angle   (  5.291,   5.909, -19.982)  (  5.292,   5.911, -19.975)  ( 0.03,  0.03,  0.03)
174:     torsion ( 24.755, -54.327,  -0.890)  ( 24.755, -54.327,  -0.890)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -4.356,  -3.531,  -2.419)  ( -4.356,  -3.531,  -2.419)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.065,  -0.317,   0.047)  ( -0.065,  -0.317,   0.047)  ( 0.00,  0.00,  0.00)
174: 29       ( 13.541,  -1.375,  14.413)  ( 13.545,  -1.368,  14.436)  ( 0.03,  0.57,  0.16)
174:     bond    ( -2.527,   6.305,  13.258)  ( -2.526,   6.310,  13.280)  ( 0.03,  0.08,  0.17)
174:     angle   ( -1.790,  -7.991,   3.455)  ( -1.787,  -7.989,   3.456)  ( 0.15,  0.03,  0.02)
174:     torsion ( 11.156,   1.862,   1.237)  ( 11.156,   1.862,   1.237)  ( 0.00,  0.01,  0.00)
174:     vdw     (  6.701,  -1.551,  -3.538)  (  6.702,  -1.551,  -3.538)  ( 0.01,  0.02,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 30       ( 13.658,   3.967,   4.154)  ( 13.663,   3.973,   4.179)  ( 0.04,  0.14,  0.60)
174:     bond    ( -4.385,   6.385,  21.147)  ( -4.384,   6.387,  21.172)  ( 0.02,  0.03,  0.12)
174:     angle   ( -5.782,   6.470,  -3.150)  ( -5.779,   6.473,  -3.149)  ( 0.05,  0.04,  0.01)
174:     torsion ( -7.214,   3.986,  -2.696)  ( -7.214,   3.986,  -2.696)  ( 0.00,  0.01,  0.00)
174:     vdw     ( 31.039, -12.874, -11.148)  ( 31.040, -12.874, -11.148)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 31       (  1.990,   9.393,   5.876)  (  1.994,   9.399,   5.901)  ( 0.22,  0.06,  0.42)
174:     bond    ( -2.566,   4.555,  13.872)  ( -2.565,   4.558,  13.897)  ( 0.03,  0.06,  0.18)
174:     angle   ( -2.429,   9.198,  -3.466)  ( -2.426,   9.201,  -3.466)  ( 0.12,  0.03,  0.01)
174:     torsion (  6.879,   9.288,  -1.777)  (  6.879,   9.289,  -1.777)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.105, -13.649,  -2.753)  (  0.106, -13.648,  -2.753)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 32       ( 57.837,   1.786, -27.115)  ( 57.842,   1.793, -27.093)  ( 0.01,  0.42,  0.08)
174:     bond    (  3.506,  -7.742, -15.918)  (  3.507,  -7.737, -15.897)  ( 0.03,  0.07,  0.14)
174:     angle   (  9.605,   7.418,  -1.493)  (  9.608,   7.421,  -1.492)  ( 0.03,  0.03,  0.04)
174:     torsion ( 18.659,  -1.057,   4.631)  ( 18.659,  -1.057,   4.631)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 26.067,   3.167, -14.335)  ( 26.068,   3.167, -14.335)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 33       ( 14.364, -13.743, -37.821)  ( 14.377, -13.739, -37.804)  ( 0.10,  0.03,  0.05)
174:     bond    ( -7.727,   1.849,  -8.864)  ( -7.715,   1.850,  -8.848)  ( 0.15,  0.03,  0.17)
174:     angle   ( 33.140, -19.453, -32.965)  ( 33.142, -19.450, -32.963)  ( 0.01,  0.01,  0.01)
174:     torsion ( -4.366,   1.112,   4.039)  ( -4.366,   1.112,   4.039)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -6.683,   2.749,  -0.032)  ( -6.683,   2.750,  -0.032)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 34       ( 23.884, -10.167,  29.657)  ( 23.892, -10.160,  29.677)  ( 0.04,  0.07,  0.07)
174:     bond    ( -7.250,   6.500,  13.231)  ( -7.245,   6.504,  13.249)  ( 0.07,  0.07,  0.14)
174:     angle   ( 47.238, -12.047,  31.744)  ( 47.240, -12.044,  31.746)  ( 0.01,  0.02,  0.00)
174:     torsion (  9.341,  -1.519,   5.853)  (  9.341,  -1.519,   5.854)  ( 0.00,  0.00,  0.00)
174:     vdw     (-25.444,  -3.102, -21.171)  (-25.444,  -3.102, -21.171)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 35       ( 10.332, -31.970,   1.348)  ( 10.338, -31.963,   1.370)  ( 0.06,  0.02,  1.69)
174:     bond    (  3.124,  -3.066,  -8.742)  (  3.127,  -3.063,  -8.719)  ( 0.09,  0.09,  0.25)
174:     angle   ( 12.608, -22.166,  12.308)  ( 12.611, -22.163,  12.308)  ( 0.02,  0.01,  0.00)
174:     torsion (  0.153,  -7.870,   2.819)  (  0.153,  -7.869,   2.819)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -5.553,   1.132,  -5.038)  ( -5.553,   1.132,  -5.038)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 36       ( -6.466,  20.884,  20.761)  ( -6.462,  20.911,  20.765)  ( 0.07,  0.13,  0.02)
174:     bond    ( -3.810,  19.131,  -1.834)  ( -3.809,  19.158,  -1.834)  ( 0.03,  0.14,  0.01)
174:     angle   (  4.504,   3.776,  30.076)  (  4.507,   3.776,  30.079)  ( 0.06,  0.00,  0.01)
174:     torsion (  2.297,   0.110,  -3.623)  (  2.297,   0.110,  -3.623)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -9.457,  -2.132,  -3.858)  ( -9.456,  -2.132,  -3.858)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 37       (-12.946,  50.711,   2.547)  (-12.941,  50.715,   2.571)  ( 0.05,  0.01,  0.96)
174:     bond    ( -4.292,   1.550,  11.849)  ( -4.289,   1.550,  11.873)  ( 0.07,  0.02,  0.20)
174:     angle   (-11.613,  41.830,  -9.657)  (-11.611,  41.833,  -9.657)  ( 0.02,  0.01,  0.00)
174:     torsion ( -0.350,  14.090,  -1.966)  ( -0.350,  14.090,  -1.966)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.310,  -6.758,   2.322)  (  3.310,  -6.758,   2.322)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 38       ( 12.162,  -2.679, -25.125)  ( 12.166,  -2.652, -25.121)  ( 0.04,  0.99,  0.01)
174:     bond    (  0.872,  -4.448,  -0.345)  (  0.873,  -4.421,  -0.345)  ( 0.09,  0.60,  0.00)
174:     angle   ( 29.617,   8.776, -37.482)  ( 29.620,   8.776, -37.478)  ( 0.01,  0.00,  0.01)
174:     torsion ( -3.954,  -1.555,   9.923)  ( -3.954,  -1.555,   9.923)  ( 0.00,  0.00,  0.00)
174:     vdw     (-14.374,  -5.451,   2.779)  (-14.373,  -5.451,   2.779)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 39       (-11.317,  11.623,   1.301)  (-11.314,  11.651,   1.304)  ( 0.03,  0.24,  0.26)
174:     bond    ( -0.745,  13.908,  -2.464)  ( -0.745,  13.936,  -2.463)  ( 0.01,  0.20,  0.04)
174:     angle   (-23.223,  -1.528,  -1.621)  (-23.220,  -1.528,  -1.621)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.064,   0.711,   4.004)  (  0.064,   0.712,   4.006)  ( 0.00,  0.00,  0.06)
174:     vdw     ( 12.897,  -1.590,   1.285)  ( 12.898,  -1.590,   1.285)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.311,   0.122,   0.097)  ( -0.311,   0.122,   0.097)  ( 0.00,  0.00,  0.00)
174: 40       (  9.143,   6.478,  24.537)  (  9.153,   6.483,  24.556)  ( 0.11,  0.08,  0.08)
174:     bond    ( 10.107,  -5.604,  15.334)  ( 10.114,  -5.601,  15.351)  ( 0.08,  0.04,  0.12)
174:     angle   ( -9.548,  13.884,  11.355)  ( -9.546,  13.887,  11.357)  ( 0.02,  0.02,  0.01)
174:     torsion (  6.178,   3.402,  -2.829)  (  6.179,   3.402,  -2.829)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.406,  -5.205,   0.678)  (  2.406,  -5.205,   0.678)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 41       ( -4.650,   7.844, -34.403)  ( -4.641,   7.850, -34.384)  ( 0.20,  0.07,  0.06)
174:     bond    ( 10.859,  -6.746, -17.542)  ( 10.866,  -6.743, -17.524)  ( 0.06,  0.04,  0.10)
174:     angle   ( -5.836,  27.046, -14.027)  ( -5.834,  27.049, -14.026)  ( 0.04,  0.01,  0.01)
174:     torsion ( -7.800,  -2.305,  -3.950)  ( -7.800,  -2.304,  -3.950)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.873, -10.151,   1.116)  ( -1.873, -10.151,   1.116)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 42       (-18.227,  16.574,  22.437)  (-18.223,  16.579,  22.464)  ( 0.02,  0.03,  0.12)
174:     bond    ( -4.536,  -1.204,  23.491)  ( -4.535,  -1.204,  23.517)  ( 0.02,  0.00,  0.11)
174:     angle   (-18.756,  29.534,  -2.104)  (-18.754,  29.538,  -2.104)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.359,  12.650,   0.578)  ( -0.359,  12.650,   0.578)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.424, -24.406,   0.473)  (  5.425, -24.406,   0.473)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 43       (  9.439, -23.152, -26.152)  (  9.445, -23.130, -26.147)  ( 0.07,  0.10,  0.02)
174:     bond    ( 10.127, -23.154,  -7.124)  ( 10.131, -23.133,  -7.122)  ( 0.04,  0.09,  0.03)
174:     angle   (  3.098,  12.480, -36.129)  (  3.100,  12.481, -36.126)  ( 0.07,  0.00,  0.01)
174:     torsion ( -4.414,  -5.361,  11.133)  ( -4.414,  -5.361,  11.133)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.628,  -7.117,   5.968)  (  0.628,  -7.117,   5.968)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 44       (-18.308,  21.708,  37.195)  (-18.302,  21.715,  37.216)  ( 0.03,  0.03,  0.06)
174:     bond    ( 12.023,  14.421,  31.723)  ( 12.026,  14.425,  31.744)  ( 0.02,  0.03,  0.06)
174:     angle   (-25.967,  22.741,  -0.499)  (-25.964,  22.743,  -0.498)  ( 0.01,  0.01,  0.04)
174:     torsion ( -6.470,  -5.757,   5.067)  ( -6.470,  -5.757,   5.067)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.106,  -9.696,   0.903)  (  2.106,  -9.695,   0.903)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 45       ( 17.466,  -4.350, -19.478)  ( 17.485,  -4.344, -19.468)  ( 0.11,  0.14,  0.05)
174:     bond    ( 15.328,  -6.631,  -9.661)  ( 15.346,  -6.628,  -9.654)  ( 0.11,  0.05,  0.07)
174:     angle   (-12.774,  -6.804, -15.635)  (-12.772,  -6.801, -15.633)  ( 0.01,  0.04,  0.02)
174:     torsion (  4.665,   8.801,   1.373)  (  4.665,   8.801,   1.373)  ( 0.00,  0.00,  0.01)
174:     vdw     ( 10.247,   0.284,   4.446)  ( 10.247,   0.284,   4.446)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 46       (  5.443, -10.453,  10.349)  (  5.446, -10.446,  10.374)  ( 0.06,  0.07,  0.24)
174:     bond    ( -1.383,   3.610,  10.485)  ( -1.382,   3.613,  10.510)  ( 0.03,  0.08,  0.23)
174:     angle   ( -3.762,   9.525,  -3.770)  ( -3.759,   9.528,  -3.769)  ( 0.07,  0.03,  0.01)
174:     torsion (  2.060, -14.244,   5.167)  (  2.060, -14.244,   5.167)  ( 0.00,  0.00,  0.00)
174:     vdw     (  8.527,  -9.343,  -1.534)  (  8.528,  -9.342,  -1.534)  ( 0.01,  0.01,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 47       ( 14.909,  24.069,  -0.998)  ( 14.921,  24.080,  -0.985)  ( 0.08,  0.04,  1.22)
174:     bond    (-19.186,  18.209,  19.946)  (-19.177,  18.217,  19.955)  ( 0.05,  0.05,  0.05)
174:     angle   (-10.140, -12.273,   1.458)  (-10.138, -12.271,   1.460)  ( 0.02,  0.02,  0.11)
174:     torsion (  1.713,  -3.616,   4.947)  (  1.713,  -3.616,   4.947)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 42.522,  21.749, -27.348)  ( 42.523,  21.749, -27.347)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 48       (  0.271,  -6.369, -45.452)  (  0.284,  -6.356, -45.443)  ( 0.33,  0.21,  0.02)
174:     bond    ( 15.320, -16.319, -12.372)  ( 15.330, -16.308, -12.365)  ( 0.06,  0.07,  0.05)
174:     angle   ( -6.821,  10.229, -21.950)  ( -6.819,  10.231, -21.947)  ( 0.03,  0.02,  0.01)
174:     torsion ( -4.990,   5.362, -13.259)  ( -4.990,   5.362, -13.259)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -3.237,  -5.641,   2.128)  ( -3.237,  -5.641,   2.128)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 49       (  1.829,   5.218,  10.089)  (  1.832,   5.223,  10.115)  ( 0.19,  0.10,  0.26)
174:     bond    (  0.604,  -2.066,   9.001)  (  0.604,  -2.065,   9.027)  ( 0.00,  0.06,  0.29)
174:     angle   (-16.609,   6.716,   2.648)  (-16.606,   6.719,   2.648)  ( 0.02,  0.05,  0.01)
174:     torsion (  8.906,  -7.026,  -2.203)  (  8.906,  -7.026,  -2.203)  ( 0.00,  0.00,  0.00)
174:     vdw     (  8.928,   7.594,   0.643)  (  8.928,   7.595,   0.643)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 50       (-11.640,   3.698,  15.971)  (-11.634,   3.710,  15.987)  ( 0.06,  0.32,  0.10)
174:     bond    ( -5.694,   8.448,  10.662)  ( -5.690,   8.457,  10.677)  ( 0.07,  0.11,  0.14)
174:     angle   (  7.408,  -8.795,  10.912)  (  7.411,  -8.792,  10.914)  ( 0.03,  0.02,  0.02)
174:     torsion ( -7.136,   5.355,  -8.045)  ( -7.136,   5.355,  -8.045)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -6.219,  -1.310,   2.441)  ( -6.218,  -1.310,   2.441)  ( 0.00,  0.03,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 51       ( 66.926,   4.468, -23.568)  ( 66.934,   4.475, -23.545)  ( 0.01,  0.16,  0.10)
174:     bond    (-15.111,  19.836, -44.913)  (-15.108,  19.840, -44.892)  ( 0.01,  0.02,  0.05)
174:     angle   (-11.684, -27.275,  -8.122)  (-11.681, -27.272,  -8.122)  ( 0.02,  0.01,  0.01)
174:     torsion (  8.855,  -9.794,  -7.309)  (  8.855,  -9.794,  -7.309)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 84.866,  21.701,  36.777)  ( 84.869,  21.701,  36.777)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 52       (-18.901,  20.130,  41.937)  (-18.895,  20.135,  41.961)  ( 0.03,  0.02,  0.06)
174:     bond    (  8.042,  -5.998,  22.303)  (  8.045,  -5.996,  22.326)  ( 0.04,  0.03,  0.10)
174:     angle   (-15.750,  30.338,  13.823)  (-15.747,  30.341,  13.824)  ( 0.02,  0.01,  0.00)
174:     torsion ( -8.777,   2.120,   3.732)  ( -8.777,   2.120,   3.732)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.416,  -6.330,   2.079)  ( -2.416,  -6.330,   2.079)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 53       ( -2.896,  -4.389, -11.917)  ( -2.889,  -4.374, -11.904)  ( 0.24,  0.34,  0.11)
174:     bond    (  1.758,  -3.138,  -2.882)  (  1.762,  -3.126,  -2.871)  ( 0.23,  0.41,  0.38)
174:     angle   (-18.853,   1.811, -13.541)  (-18.850,   1.812, -13.539)  ( 0.01,  0.09,  0.02)
174:     torsion (  8.054,   2.591,   2.121)  (  8.054,   2.591,   2.121)  ( 0.00,  0.00,  0.00)
174:     vdw     (  6.145,  -5.652,   2.385)  (  6.145,  -5.652,   2.385)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 54       (-15.234,  -2.793, -16.466)  (-15.230,  -2.789, -16.439)  ( 0.02,  0.13,  0.17)
174:     bond    (  0.489,  -0.125,  -5.592)  (  0.489,  -0.125,  -5.564)  ( 0.01,  0.00,  0.49)
174:     angle   ( -0.277,  -2.344,   0.028)  ( -0.274,  -2.342,   0.028)  ( 0.07,  0.12,  0.00)
174:     torsion (-15.165,  -2.831,  -1.270)  (-15.165,  -2.831,  -1.270)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -0.280,   2.507,  -9.633)  ( -0.280,   2.508,  -9.633)  ( 0.00,  0.02,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 55       (-35.014, -23.448, -13.773)  (-34.988, -23.444, -13.767)  ( 0.07,  0.02,  0.04)
174:     bond    (-42.421,  -3.708, -12.496)  (-42.395,  -3.708, -12.494)  ( 0.06,  0.00,  0.02)
174:     angle   (  2.620, -44.077,   4.186)  (  2.620, -44.074,   4.190)  ( 0.01,  0.01,  0.09)
174:     torsion (  1.119,   1.922,  -4.368)  (  1.119,   1.922,  -4.368)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.668,  22.415,  -1.095)  (  3.668,  22.416,  -1.095)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 56       ( -5.812, -27.433,  37.928)  ( -5.808, -27.429,  37.955)  ( 0.07,  0.02,  0.07)
174:     bond    (  0.956,   6.372,  29.517)  (  0.956,   6.373,  29.544)  ( 0.01,  0.02,  0.09)
174:     angle   (  6.708, -34.340,   7.190)  (  6.712, -34.336,   7.190)  ( 0.06,  0.01,  0.00)
174:     torsion ( -5.135,  -3.628,   0.949)  ( -5.135,  -3.628,   0.949)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -8.342,   4.162,   0.272)  ( -8.341,   4.162,   0.272)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 57       ( 24.496,  -2.483,  -6.484)  ( 24.503,  -2.464,  -6.474)  ( 0.03,  0.75,  0.15)
174:     bond    (  2.792,   5.902,  -3.640)  (  2.795,   5.919,  -3.634)  ( 0.14,  0.29,  0.18)
174:     angle   ( 24.017, -16.515,  -8.425)  ( 24.020, -16.514,  -8.422)  ( 0.01,  0.01,  0.04)
174:     torsion (  3.410,   1.056,   4.344)  (  3.410,   1.056,   4.344)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -5.722,   7.074,   1.237)  ( -5.722,   7.074,   1.237)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 58       ( -1.265, -41.556, -20.451)  ( -1.253, -41.537, -20.446)  ( 0.92,  0.05,  0.02)
174:     bond    ( 19.836, -27.005,  -6.315)  ( 19.845, -26.988,  -6.314)  ( 0.05,  0.06,  0.01)
174:     angle   (-27.049, -17.025, -12.251)  (-27.047, -17.024, -12.247)  ( 0.01,  0.01,  0.03)
174:     torsion (  0.947,   1.352,  -2.804)  (  0.947,   1.352,  -2.804)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.002,   1.122,   0.919)  (  5.002,   1.123,   0.919)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 59       (-12.302,  15.241, -22.467)  (-12.293,  15.260, -22.460)  ( 0.07,  0.13,  0.03)
174:     bond    (  5.921,  10.746,  -5.413)  (  5.926,  10.764,  -5.409)  ( 0.09,  0.17,  0.08)
174:     angle   (-24.933,   2.911, -21.522)  (-24.930,   2.913, -21.519)  ( 0.01,  0.05,  0.01)
174:     torsion ( -1.179,   1.820,   2.330)  ( -1.179,   1.820,   2.331)  ( 0.00,  0.00,  0.00)
174:     vdw     (  7.889,  -0.236,   2.137)  (  7.889,  -0.236,   2.137)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 60       (-22.289, -13.877,  21.831)  (-22.285, -13.872,  21.858)  ( 0.02,  0.03,  0.12)
174:     bond    ( -0.454,   2.644,  18.216)  ( -0.454,   2.645,  18.243)  ( 0.00,  0.02,  0.15)
174:     angle   (-31.660, -11.577,   0.890)  (-31.657, -11.573,   0.890)  ( 0.01,  0.03,  0.01)
174:     torsion (  0.274,  -3.709,   0.545)  (  0.274,  -3.709,   0.545)  ( 0.00,  0.00,  0.00)
174:     vdw     (  9.552,  -1.235,   2.180)  (  9.552,  -1.235,   2.180)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 61       (-39.791, -21.672,   6.376)  (-39.767, -21.666,   6.382)  ( 0.06,  0.02,  0.11)
174:     bond    (-38.512,  -9.274, -15.814)  (-38.489,  -9.273, -15.810)  ( 0.06,  0.01,  0.02)
174:     angle   ( -4.902, -31.814,  30.587)  ( -4.902, -31.810,  30.590)  ( 0.02,  0.01,  0.01)
174:     torsion ( -2.164,   5.162,   2.239)  ( -2.164,   5.162,   2.239)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.787,  14.254, -10.637)  (  5.788,  14.254, -10.637)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 62       (-51.597,  18.758,  -5.963)  (-51.591,  18.785,  -5.959)  ( 0.01,  0.15,  0.06)
174:     bond    (  3.501,  40.620,  -1.367)  (  3.501,  40.647,  -1.367)  ( 0.00,  0.07,  0.01)
174:     angle   ( 23.290,  -0.699,  38.845)  ( 23.294,  -0.699,  38.848)  ( 0.02,  0.00,  0.01)
174:     torsion (  6.343,  -0.580,  -1.005)  (  6.344,  -0.580,  -1.005)  ( 0.00,  0.00,  0.00)
174:     vdw     (-84.732, -20.583, -42.435)  (-84.729, -20.583, -42.435)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 63       ( 18.779, -14.958,  -2.598)  ( 18.794, -14.951,  -2.585)  ( 0.08,  0.05,  0.48)
174:     bond    ( 12.071,  -6.940, -10.740)  ( 12.084,  -6.936, -10.729)  ( 0.11,  0.06,  0.10)
174:     angle   (  9.842,  -9.251,  17.064)  (  9.844,  -9.248,  17.066)  ( 0.02,  0.03,  0.01)
174:     torsion ( -3.735,  -4.539,  -1.272)  ( -3.735,  -4.539,  -1.272)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.601,   5.772,  -7.650)  (  0.601,   5.772,  -7.649)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 64       ( -7.737, -18.679,  -1.345)  ( -7.710, -18.674,  -1.340)  ( 0.34,  0.03,  0.41)
174:     bond    (-31.885,  -5.119,   7.694)  (-31.859,  -5.118,   7.696)  ( 0.08,  0.01,  0.02)
174:     angle   ( -7.715, -28.179, -50.681)  ( -7.715, -28.175, -50.678)  ( 0.00,  0.01,  0.01)
174:     torsion (  1.280,  -4.540,   2.282)  (  1.280,  -4.540,   2.282)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 30.583,  19.159,  39.360)  ( 30.583,  19.159,  39.361)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 65       ( 40.384,  -7.087,  -1.162)  ( 40.395,  -7.079,  -1.145)  ( 0.03,  0.12,  1.44)
174:     bond    ( 18.276, -13.631,  25.487)  ( 18.284, -13.627,  25.503)  ( 0.04,  0.03,  0.06)
174:     angle   ( 33.298, -22.150, -35.710)  ( 33.301, -22.147, -35.709)  ( 0.01,  0.01,  0.00)
174:     torsion (  3.662,   3.773,  -0.609)  (  3.662,   3.773,  -0.609)  ( 0.00,  0.00,  0.00)
174:     vdw     (-14.851,  24.922,   9.670)  (-14.851,  24.922,   9.670)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 66       (-18.935,  17.431,  -6.491)  (-18.930,  17.458,  -6.487)  ( 0.03,  0.16,  0.06)
174:     bond    (  5.481,  39.355,   1.074)  (  5.482,  39.383,   1.074)  ( 0.01,  0.07,  0.02)
174:     angle   ( 25.175,  -2.445, -38.854)  ( 25.178,  -2.445, -38.851)  ( 0.01,  0.00,  0.01)
174:     torsion ( -4.466,   0.662,  -1.498)  ( -4.466,   0.662,  -1.498)  ( 0.00,  0.00,  0.00)
174:     vdw     (-45.125, -20.141,  32.788)  (-45.124, -20.141,  32.788)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 67       ( -2.632,  24.315,  23.802)  ( -2.628,  24.342,  23.805)  ( 0.13,  0.11,  0.02)
174:     bond    ( -2.205,  21.491,  -0.922)  ( -2.204,  21.518,  -0.922)  ( 0.01,  0.13,  0.00)
174:     angle   (  0.322,   1.460,  33.287)  (  0.325,   1.460,  33.291)  ( 0.09,  0.00,  0.01)
174:     torsion (  1.351,  -0.167,  -7.120)  (  1.351,  -0.167,  -7.120)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -2.100,   1.530,  -1.443)  ( -2.100,   1.530,  -1.443)  ( 0.01,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 68       (  8.621, -30.526,  -4.348)  (  8.627, -30.520,  -4.325)  ( 0.06,  0.02,  0.54)
174:     bond    (  3.678,  -3.681, -11.381)  (  3.681,  -3.678, -11.358)  ( 0.06,  0.06,  0.20)
174:     angle   ( 10.007, -25.098,  11.370)  ( 10.010, -25.094,  11.370)  ( 0.03,  0.01,  0.00)
174:     torsion (  1.105, -10.123,   3.636)  (  1.105, -10.123,   3.636)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -6.169,   8.376,  -7.973)  ( -6.168,   8.376,  -7.973)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 69       ( 19.868,  12.686,  10.166)  ( 19.877,  12.695,  10.185)  ( 0.04,  0.07,  0.19)
174:     bond    (-17.162,  19.982,  30.757)  (-17.157,  19.989,  30.773)  ( 0.03,  0.03,  0.05)
174:     angle   ( 23.074, -23.287,  27.989)  ( 23.077, -23.285,  27.991)  ( 0.01,  0.01,  0.01)
174:     torsion ( 11.543,  -4.396,   9.291)  ( 11.543,  -4.396,   9.291)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.412,  20.386, -57.871)  (  2.413,  20.387, -57.870)  ( 0.06,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 70       (  3.856,  -5.617, -23.123)  (  3.868,  -5.613, -23.104)  ( 0.31,  0.08,  0.08)
174:     bond    ( -7.666,   2.356, -10.475)  ( -7.657,   2.357, -10.457)  ( 0.12,  0.04,  0.17)
174:     angle   ( 15.864, -23.495, -16.914)  ( 15.866, -23.492, -16.913)  ( 0.01,  0.01,  0.01)
174:     torsion ( -7.048,   5.024,   6.293)  ( -7.048,   5.024,   6.293)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.706,  10.498,  -2.027)  (  2.707,  10.498,  -2.027)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 71       ( -2.147, -23.094, -11.990)  ( -2.124, -23.086, -11.983)  ( 1.06,  0.03,  0.05)
174:     bond    (-18.976,  -7.679,   6.984)  (-18.955,  -7.675,   6.987)  ( 0.11,  0.04,  0.04)
174:     angle   ( -6.130, -29.366, -48.884)  ( -6.129, -29.363, -48.881)  ( 0.02,  0.01,  0.01)
174:     torsion (  0.625,  -0.949,   0.653)  (  0.625,  -0.949,   0.653)  ( 0.00,  0.01,  0.00)
174:     vdw     ( 22.334,  14.900,  29.256)  ( 22.334,  14.900,  29.257)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 72       ( 20.627,  -9.034,   0.423)  ( 20.642,  -9.030,   0.439)  ( 0.07,  0.05,  0.69)
174:     bond    ( 18.783,  -5.397,  20.943)  ( 18.795,  -5.396,  20.958)  ( 0.06,  0.02,  0.07)
174:     angle   ( 36.607,  -6.618, -34.536)  ( 36.609,  -6.615, -34.535)  ( 0.01,  0.06,  0.00)
174:     torsion (  1.051,   1.742,  -0.494)  (  1.051,   1.742,  -0.494)  ( 0.00,  0.01,  0.00)
174:     vdw     (-35.814,   1.239,  14.510)  (-35.813,   1.239,  14.510)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 73       (-13.401,  18.857,  -7.984)  (-13.397,  18.885,  -7.980)  ( 0.04,  0.15,  0.05)
174:     bond    ( -4.324,  40.254,  -3.034)  ( -4.324,  40.282,  -3.034)  ( 0.00,  0.07,  0.00)
174:     angle   ( 25.583,  -0.124, -38.116)  ( 25.587,  -0.124, -38.112)  ( 0.01,  0.00,  0.01)
174:     torsion ( -1.041,  -0.132,  -0.271)  ( -1.040,  -0.132,  -0.271)  ( 0.02,  0.00,  0.00)
174:     vdw     (-33.620, -21.141,  33.436)  (-33.619, -21.141,  33.437)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 74       ( 37.644,  95.477, 158.215)  ( 37.658,  95.483, 158.242)  ( 0.04,  0.01,  0.02)
174:     bond    ( 96.412,  66.499, 143.448)  ( 96.424,  66.506, 143.473)  ( 0.01,  0.01,  0.02)
174:     angle   (-10.556,  -4.320,   9.095)  (-10.555,  -4.320,   9.096)  ( 0.02,  0.01,  0.01)
174:     torsion (-20.678,  40.377,  -4.819)  (-20.678,  40.377,  -4.819)  ( 0.00,  0.00,  0.00)
174:     vdw     (-27.549,  -7.301,  10.524)  (-27.548,  -7.301,  10.524)  ( 0.00,  0.00,  0.00)
174:     electro (  0.016,   0.222,  -0.032)  (  0.016,   0.222,  -0.032)  ( 0.00,  0.00,  0.00)
174: ok 22 # gradients 
174: ok 23 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (1291.687, -969.396, 620.852)  (1291.781, -969.306, 620.868)  ( 0.01,  0.01,  0.00)
174:     bond    (1151.916, -865.000, 587.078)  (1151.998, -864.921, 587.090)  ( 0.01,  0.01,  0.00)
174:     angle   (141.394, -102.369,  34.491)  (141.406, -102.358,  34.492)  ( 0.01,  0.01,  0.00)
174:     torsion (  1.153,  -0.854,  -0.677)  (  1.153,  -0.853,  -0.674)  ( 0.02,  0.04,  0.20)
174:     vdw     ( -2.776,  -1.173,  -0.040)  ( -2.776,  -1.173,  -0.040)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (298.204, 971.668, -229.992)  (298.273, 971.756, -229.978)  ( 0.02,  0.01,  0.01)
174:     bond    (395.657, 810.891, -170.088)  (395.712, 810.968, -170.079)  ( 0.01,  0.01,  0.01)
174:     angle   (-92.800, 152.605, -73.608)  (-92.786, 152.616, -73.606)  ( 0.02,  0.01,  0.00)
174:     torsion ( -3.841,   4.521,  15.987)  ( -3.840,   4.521,  15.990)  ( 0.01,  0.01,  0.02)
174:     vdw     ( -0.926,   3.157,  -2.084)  ( -0.926,   3.158,  -2.084)  ( 0.02,  0.00,  0.00)
174:     electro (  0.113,   0.494,  -0.199)  (  0.113,   0.494,  -0.199)  ( 0.00,  0.00,  0.00)
174:  3       (-504.679, 126.706, -65.120)  (-504.604, 126.804, -65.117)  ( 0.01,  0.08,  0.00)
174:     bond    (-438.510, -79.388, -48.304)  (-438.448, -79.301, -48.304)  ( 0.01,  0.11,  0.00)
174:     angle   (-64.271, 207.170, -14.900)  (-64.258, 207.181, -14.900)  ( 0.02,  0.01,  0.00)
174:     torsion ( -0.850,   2.083,  -2.639)  ( -0.850,   2.083,  -2.637)  ( 0.00,  0.00,  0.10)
174:     vdw     ( -0.986,  -2.347,   0.473)  ( -0.986,  -2.346,   0.473)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.063,  -0.812,   0.250)  ( -0.063,  -0.812,   0.250)  ( 0.00,  0.00,  0.00)
174:  4       ( 62.544, 529.216, -221.024)  ( 62.642, 529.276, -221.001)  ( 0.16,  0.01,  0.01)
174:     bond    ( 45.030, 519.764, -212.292)  ( 45.117, 519.814, -212.273)  ( 0.19,  0.01,  0.01)
174:     angle   ( 18.074,   9.875,  -5.510)  ( 18.085,   9.885,  -5.509)  ( 0.06,  0.10,  0.03)
174:     torsion (  1.294,  -0.313,  -3.148)  (  1.294,  -0.312,  -3.146)  ( 0.01,  0.02,  0.07)
174:     vdw     ( -1.854,  -0.110,  -0.074)  ( -1.854,  -0.110,  -0.074)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-22.770, 472.854, -228.617)  (-22.763, 472.872, -228.611)  ( 0.03,  0.00,  0.00)
174:     bond    ( 13.426, 481.568, -210.659)  ( 13.429, 481.586, -210.653)  ( 0.02,  0.00,  0.00)
174:     angle   (-28.169,  -1.322,  -4.817)  (-28.165,  -1.322,  -4.817)  ( 0.02,  0.00,  0.00)
174:     torsion (  2.580,  -5.856, -13.223)  (  2.580,  -5.856, -13.223)  ( 0.00,  0.00,  0.00)
174:     vdw     (-10.608,  -1.537,   0.082)  (-10.607,  -1.537,   0.082)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (-928.350, -469.312,  34.230)  (-928.250, -469.218,  34.249)  ( 0.01,  0.02,  0.06)
174:     bond    (-902.944, -431.198,  18.869)  (-902.856, -431.115,  18.883)  ( 0.01,  0.02,  0.07)
174:     angle   (-25.680, -34.846,   9.724)  (-25.668, -34.835,   9.726)  ( 0.05,  0.03,  0.02)
174:     torsion ( -0.760,   1.680,   3.423)  ( -0.760,   1.680,   3.427)  ( 0.00,  0.02,  0.11)
174:     vdw     (  1.033,  -4.949,   2.213)  (  1.033,  -4.948,   2.213)  ( 0.03,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       (-549.758, 286.552, -158.102)  (-549.658, 286.644, -158.084)  ( 0.02,  0.03,  0.01)
174:     bond    (-597.550, 340.749, -188.434)  (-597.463, 340.828, -188.421)  ( 0.01,  0.02,  0.01)
174:     angle   ( 49.931, -59.660,  27.577)  ( 49.943, -59.648,  27.578)  ( 0.02,  0.02,  0.01)
174:     torsion ( -0.865,   0.514,   3.821)  ( -0.865,   0.514,   3.825)  ( 0.00,  0.02,  0.09)
174:     vdw     ( -1.273,   4.949,  -1.066)  ( -1.273,   4.949,  -1.066)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (-34.667,  32.173,  -9.961)  (-34.567,  32.238,  -9.950)  ( 0.29,  0.20,  0.12)
174:     bond    (-46.132, -26.291,   2.900)  (-46.046, -26.238,   2.907)  ( 0.19,  0.20,  0.24)
174:     angle   (  9.004,  61.588, -19.522)  (  9.017,  61.600, -19.521)  ( 0.14,  0.02,  0.01)
174:     torsion ( -0.650,   1.553,   4.817)  ( -0.650,   1.553,   4.820)  ( 0.00,  0.02,  0.06)
174:     vdw     (  2.823,  -4.536,   1.777)  (  2.823,  -4.536,   1.777)  ( 0.00,  0.00,  0.00)
174:     electro (  0.289,  -0.142,   0.068)  (  0.289,  -0.142,   0.068)  ( 0.00,  0.00,  0.00)
174:  9       (334.527, 813.316, -260.363)  (334.621, 813.379, -260.342)  ( 0.03,  0.01,  0.01)
174:     bond    (341.270, 863.401, -379.423)  (341.355, 863.451, -379.407)  ( 0.02,  0.01,  0.00)
174:     angle   ( -9.599, -45.337, 140.803)  ( -9.591, -45.324, 140.807)  ( 0.09,  0.03,  0.00)
174:     torsion (  3.306,  -5.368, -20.899)  (  3.306,  -5.367, -20.897)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.449,   0.620,  -0.845)  ( -0.449,   0.620,  -0.845)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 10       ( 50.138, -59.673,  18.059)  ( 50.240, -59.609,  18.073)  ( 0.20,  0.11,  0.08)
174:     bond    ( 48.676, -141.413,  55.636)  ( 48.765, -141.363,  55.645)  ( 0.18,  0.04,  0.02)
174:     angle   (  3.823,  83.323, -28.467)  (  3.835,  83.336, -28.465)  ( 0.32,  0.02,  0.01)
174:     torsion (  0.572,  -1.857,  -4.267)  (  0.572,  -1.856,  -4.265)  ( 0.00,  0.02,  0.07)
174:     vdw     ( -2.723,   0.223,  -4.741)  ( -2.723,   0.223,  -4.740)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.209,   0.051,  -0.103)  ( -0.209,   0.051,  -0.103)  ( 0.00,  0.00,  0.00)
174: 11       (-392.354,  12.929, -110.427)  (-392.268,  13.023, -110.411)  ( 0.02,  0.73,  0.02)
174:     bond    (-182.246, -41.558, -12.366)  (-182.180, -41.484, -12.356)  ( 0.04,  0.18,  0.09)
174:     angle   (-211.321,  57.327, -98.054)  (-211.301,  57.348, -98.050)  ( 0.01,  0.04,  0.00)
174:     torsion (  1.783,  -2.219,   2.344)  (  1.783,  -2.219,   2.347)  ( 0.00,  0.01,  0.11)
174:     vdw     ( -0.570,  -0.621,  -2.351)  ( -0.570,  -0.621,  -2.351)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (-21.184, -22.404,  -4.521)  (-21.177, -22.378,  -4.516)  ( 0.03,  0.11,  0.10)
174:     bond    ( -0.630, -11.847,   4.471)  ( -0.630, -11.822,   4.474)  ( 0.01,  0.21,  0.08)
174:     angle   (-18.792,   0.237,  -2.020)  (-18.786,   0.237,  -2.020)  ( 0.03,  0.00,  0.01)
174:     torsion ( -0.802,   2.323,   6.024)  ( -0.802,   2.323,   6.025)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.842, -12.514, -13.245)  ( -0.841, -12.513, -13.245)  ( 0.07,  0.00,  0.00)
174:     electro ( -0.117,  -0.603,   0.249)  ( -0.117,  -0.603,   0.249)  ( 0.00,  0.00,  0.00)
174: 13       (209.974,  32.014,  22.390)  (210.050,  32.098,  22.401)  ( 0.04,  0.26,  0.05)
174:     bond    ( 81.425, 122.507, -29.385)  ( 81.485, 122.580, -29.377)  ( 0.07,  0.06,  0.03)
174:     angle   (130.006, -87.869,  44.052)  (130.023, -87.857,  44.053)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.675,   1.611,   4.879)  ( -0.675,   1.612,   4.882)  ( 0.00,  0.02,  0.05)
174:     vdw     ( -0.783,  -4.237,   2.844)  ( -0.783,  -4.237,   2.844)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 14       (-10.127,  14.003,  -6.537)  (-10.121,  14.029,  -6.533)  ( 0.06,  0.19,  0.06)
174:     bond    (  0.208,  14.769,  -4.898)  (  0.208,  14.795,  -4.895)  ( 0.00,  0.18,  0.06)
174:     angle   (-19.794,  -0.500,  -2.352)  (-19.788,  -0.500,  -2.352)  ( 0.03,  0.00,  0.00)
174:     torsion (  0.019,  -0.049,  -0.149)  (  0.019,  -0.049,  -0.148)  ( 0.00,  0.00,  0.01)
174:     vdw     (  9.632,  -0.733,   1.059)  (  9.632,  -0.733,   1.059)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.192,   0.517,  -0.197)  ( -0.192,   0.517,  -0.197)  ( 0.00,  0.00,  0.00)
174: 15       (-36.479,  39.621, -17.440)  (-36.462,  39.631, -17.437)  ( 0.05,  0.02,  0.01)
174:     bond    (-39.986,  24.828, -13.708)  (-39.972,  24.834, -13.706)  ( 0.03,  0.02,  0.01)
174:     angle   ( 30.703,  43.547, -10.639)  ( 30.705,  43.551, -10.639)  ( 0.01,  0.01,  0.00)
174:     torsion (  0.156,  -0.381,  -1.147)  (  0.156,  -0.381,  -1.146)  ( 0.00,  0.00,  0.04)
174:     vdw     (-27.352, -28.373,   8.054)  (-27.352, -28.372,   8.054)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       ( 52.310, -52.160, 139.358)  ( 52.367, -52.107, 139.378)  ( 0.11,  0.10,  0.01)
174:     bond    ( 68.278,  40.654,  58.158)  ( 68.324,  40.691,  58.170)  ( 0.07,  0.09,  0.02)
174:     angle   (-14.590, -95.896,  93.389)  (-14.578, -95.881,  93.396)  ( 0.08,  0.02,  0.01)
174:     torsion ( -1.966,   4.760, -13.239)  ( -1.966,   4.761, -13.238)  ( 0.00,  0.00,  0.01)
174:     vdw     (  0.587,  -1.677,   1.050)  (  0.587,  -1.677,   1.050)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 17       (164.485, -1750.099, 359.852)  (164.514, -1750.044, 359.905)  ( 0.02,  0.00,  0.01)
174:     bond    ( 87.415, -1695.554, 508.596)  ( 87.436, -1695.507, 508.638)  ( 0.02,  0.00,  0.01)
174:     angle   ( 80.485, -54.139, -148.780)  ( 80.492, -54.130, -148.770)  ( 0.01,  0.02,  0.01)
174:     torsion (  1.700,  -7.304,   2.419)  (  1.699,  -7.304,   2.419)  ( 0.04,  0.00,  0.00)
174:     vdw     ( -5.114,   6.898,  -2.383)  ( -5.113,   6.898,  -2.383)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       (-28.502, -72.471,  13.320)  (-28.482, -72.459,  13.325)  ( 0.07,  0.02,  0.04)
174:     bond    ( 14.638,  -9.522,   7.122)  ( 14.656,  -9.515,   7.126)  ( 0.12,  0.08,  0.06)
174:     angle   (-45.669, -63.224,   9.506)  (-45.667, -63.221,   9.506)  ( 0.00,  0.01,  0.00)
174:     torsion ( -0.598,   0.771,   2.258)  ( -0.598,   0.771,   2.258)  ( 0.00,  0.01,  0.02)
174:     vdw     (  4.797,   1.730,  -6.454)  (  4.797,   1.731,  -6.454)  ( 0.01,  0.04,  0.00)
174:     electro ( -1.671,  -2.225,   0.889)  ( -1.671,  -2.225,   0.889)  ( 0.00,  0.00,  0.00)
174: 19       (114.823, -41.665, -42.781)  (114.872, -41.615, -42.731)  ( 0.04,  0.12,  0.12)
174:     bond    ( 46.006, -62.726, -75.264)  ( 46.042, -62.686, -75.226)  ( 0.08,  0.06,  0.05)
174:     angle   ( 71.528,  17.445,  24.719)  ( 71.541,  17.454,  24.730)  ( 0.02,  0.05,  0.04)
174:     torsion ( -0.887,  -0.092,   4.539)  ( -0.886,  -0.091,   4.539)  ( 0.02,  0.00,  0.01)
174:     vdw     ( -1.826,   3.708,   3.226)  ( -1.825,   3.709,   3.226)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (  0.359,  94.777,   7.548)  (  0.409,  94.829,   7.594)  ( 1.80,  0.06,  0.61)
174:     bond    (-39.306,  77.507,  -9.832)  (-39.267,  77.545,  -9.795)  ( 0.10,  0.05,  0.38)
174:     angle   ( 29.541,  14.158,  21.655)  ( 29.551,  14.172,  21.664)  ( 0.03,  0.10,  0.04)
174:     torsion (  0.559,  -2.282,   2.657)  (  0.560,  -2.282,   2.658)  ( 0.01,  0.02,  0.02)
174:     vdw     (  9.565,   5.394,  -6.932)  (  9.566,   5.394,  -6.932)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (-15.626,   9.796,  -8.493)  (-15.606,   9.807,  -8.489)  ( 0.13,  0.11,  0.05)
174:     bond    (-18.997,  12.730,  -1.669)  (-18.978,  12.738,  -1.669)  ( 0.10,  0.07,  0.00)
174:     angle   ( -9.429, -17.517, -26.477)  ( -9.428, -17.515, -26.473)  ( 0.01,  0.01,  0.01)
174:     torsion (  0.444,   0.852,   1.457)  (  0.444,   0.852,   1.457)  ( 0.00,  0.00,  0.01)
174:     vdw     ( 12.356,  13.731,  18.195)  ( 12.357,  13.731,  18.196)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       ( 16.790, -14.975,   7.995)  ( 16.794, -14.970,   8.021)  ( 0.02,  0.04,  0.32)
174:     bond    (  0.839,  -3.049,   9.710)  (  0.839,  -3.047,   9.735)  ( 0.01,  0.08,  0.26)
174:     angle   ( 17.920, -10.218,  -4.742)  ( 17.923, -10.215,  -4.741)  ( 0.02,  0.03,  0.01)
174:     torsion (  1.554,  -3.125,  -1.112)  (  1.554,  -3.125,  -1.112)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -3.522,   1.417,   4.139)  ( -3.522,   1.417,   4.139)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       ( -3.383,  26.547,  -7.292)  ( -3.331,  26.599,  -7.247)  ( 1.52,  0.19,  0.62)
174:     bond    ( -5.729, -62.233,   5.658)  ( -5.688, -62.197,   5.694)  ( 0.72,  0.06,  0.64)
174:     angle   (  3.696,  79.918, -15.987)  (  3.706,  79.932, -15.979)  ( 0.27,  0.02,  0.05)
174:     torsion (  0.547,   3.703,   0.318)  (  0.547,   3.703,   0.319)  ( 0.01,  0.01,  0.02)
174:     vdw     ( -1.897,   5.160,   2.720)  ( -1.897,   5.160,   2.720)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       ( -8.564, -14.110, -19.019)  ( -8.561, -14.092, -19.005)  ( 0.04,  0.12,  0.08)
174:     bond    ( -0.478, -14.334, -12.772)  ( -0.478, -14.319, -12.760)  ( 0.00,  0.11,  0.10)
174:     angle   (-14.163,   1.214,  -0.836)  (-14.161,   1.216,  -0.834)  ( 0.02,  0.13,  0.17)
174:     torsion (  1.364,  -0.748,   0.788)  (  1.364,  -0.748,   0.788)  ( 0.01,  0.01,  0.01)
174:     vdw     (  4.712,  -0.241,  -6.199)  (  4.712,  -0.241,  -6.199)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       ( 15.923,   6.709, -14.172)  ( 15.972,   6.759, -14.123)  ( 0.30,  0.75,  0.35)
174:     bond    (-43.493,  18.715,  43.123)  (-43.457,  18.755,  43.161)  ( 0.08,  0.21,  0.09)
174:     angle   ( 52.144,  -7.332, -54.175)  ( 52.156,  -7.322, -54.164)  ( 0.02,  0.13,  0.02)
174:     torsion (  3.258,  -0.518,  -1.719)  (  3.259,  -0.518,  -1.718)  ( 0.01,  0.01,  0.03)
174:     vdw     (  4.014,  -4.156,  -1.402)  (  4.014,  -4.156,  -1.402)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 26       (  8.967,  13.422,  21.262)  (  8.971,  13.430,  21.286)  ( 0.05,  0.06,  0.11)
174:     bond    (  2.558,  -5.615,  13.404)  (  2.558,  -5.611,  13.427)  ( 0.03,  0.07,  0.17)
174:     angle   (-11.664,   4.967,   4.298)  (-11.661,   4.970,   4.299)  ( 0.02,  0.06,  0.02)
174:     torsion ( -1.780,   1.821,   1.100)  ( -1.780,   1.821,   1.100)  ( 0.00,  0.01,  0.00)
174:     vdw     ( 19.854,  12.250,   2.460)  ( 19.854,  12.250,   2.460)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 27       (-323.145, -271.799, 112.451)  (-323.099, -271.749, 112.477)  ( 0.01,  0.02,  0.02)
174:     bond    (-277.510, -232.743, 103.218)  (-277.472, -232.705, 103.231)  ( 0.01,  0.02,  0.01)
174:     angle   (-42.969, -37.089,   8.185)  (-42.962, -37.077,   8.196)  ( 0.02,  0.03,  0.14)
174:     torsion ( -3.196,  -2.651,   1.412)  ( -3.196,  -2.651,   1.412)  ( 0.00,  0.01,  0.03)
174:     vdw     (  0.465,   0.546,  -0.326)  (  0.465,   0.546,  -0.326)  ( 0.00,  0.00,  0.00)
174:     electro (  0.066,   0.137,  -0.038)  (  0.066,   0.137,  -0.038)  ( 0.00,  0.00,  0.00)
174: 28       ( -9.937, -12.237, -27.175)  ( -9.933, -12.229, -27.152)  ( 0.04,  0.06,  0.09)
174:     bond    ( -2.224,   5.760, -12.961)  ( -2.224,   5.765, -12.939)  ( 0.03,  0.08,  0.17)
174:     angle   ( -1.338, -21.273,  -9.248)  ( -1.335, -21.270,  -9.247)  ( 0.21,  0.01,  0.01)
174:     torsion (  0.876,  -5.005,  -2.380)  (  0.876,  -5.005,  -2.380)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -7.251,   8.281,  -2.586)  ( -7.251,   8.281,  -2.586)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 29       (  1.693,  12.470,  31.606)  (  1.696,  12.488,  31.620)  ( 0.18,  0.14,  0.04)
174:     bond    (  1.386,  19.430,  16.782)  (  1.386,  19.446,  16.793)  ( 0.00,  0.08,  0.07)
174:     angle   (  0.745, -13.698,  15.796)  (  0.748, -13.697,  15.798)  ( 0.22,  0.01,  0.01)
174:     torsion ( -0.853,   1.947,  -2.184)  ( -0.853,   1.947,  -2.184)  ( 0.01,  0.00,  0.00)
174:     vdw     (  0.415,   4.792,   1.212)  (  0.416,   4.792,   1.212)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 30       ( 21.804, -19.915,  15.948)  ( 21.825, -19.906,  15.952)  ( 0.10,  0.05,  0.02)
174:     bond    ( 21.630, -12.881,   1.409)  ( 21.650, -12.874,   1.409)  ( 0.09,  0.06,  0.00)
174:     angle   ( -4.510,  -5.515,  18.908)  ( -4.509,  -5.513,  18.912)  ( 0.02,  0.04,  0.02)
174:     torsion (  0.258,   0.167,  -2.434)  (  0.258,   0.167,  -2.434)  ( 0.00,  0.00,  0.01)
174:     vdw     (  4.426,  -1.686,  -1.936)  (  4.427,  -1.686,  -1.936)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 31       (-24.628,   9.539, -16.258)  (-24.624,   9.545, -16.233)  ( 0.02,  0.06,  0.16)
174:     bond    ( -1.471,   4.253, -13.478)  ( -1.471,   4.256, -13.453)  ( 0.02,  0.06,  0.18)
174:     angle   (-21.315,   8.697,   5.082)  (-21.311,   8.700,   5.082)  ( 0.02,  0.03,  0.01)
174:     torsion ( -3.798,   2.727,   1.278)  ( -3.798,   2.727,   1.278)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.957,  -6.137,  -9.140)  (  1.957,  -6.137,  -9.140)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 32       (267.216, 221.662, -108.445)  (267.232, 221.677, -108.439)  ( 0.01,  0.01,  0.01)
174:     bond    (250.100, 215.399, -125.960)  (250.113, 215.408, -125.958)  ( 0.01,  0.00,  0.00)
174:     angle   (  2.594,   1.539,   7.794)  (  2.597,   1.544,   7.797)  ( 0.10,  0.32,  0.04)
174:     torsion (  2.306,  -0.267,   4.123)  (  2.306,  -0.267,   4.123)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 12.243,   5.078,   5.570)  ( 12.244,   5.078,   5.571)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.028,  -0.087,   0.029)  ( -0.028,  -0.087,   0.029)  ( 0.00,  0.00,  0.00)
174: 33       ( 94.657, -75.303,  31.434)  ( 94.664, -75.239,  31.434)  ( 0.01,  0.09,  0.00)
174:     bond    ( -6.861, -41.473,   0.804)  ( -6.859, -41.410,   0.804)  ( 0.02,  0.15,  0.01)
174:     angle   ( 79.707, -13.015,   9.723)  ( 79.711, -13.015,   9.723)  ( 0.01,  0.00,  0.00)
174:     torsion ( -2.073,   0.690,  17.856)  ( -2.073,   0.690,  17.856)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 26.743, -24.254,   3.560)  ( 26.743, -24.253,   3.560)  ( 0.00,  0.00,  0.00)
174:     electro ( -2.859,   2.749,  -0.509)  ( -2.859,   2.749,  -0.509)  ( 0.00,  0.00,  0.00)
174: 34       (-162.925, -385.483,   0.508)  (-162.878, -385.447,   0.513)  ( 0.03,  0.01,  0.25)
174:     bond    (-118.840, -234.811,   0.749)  (-118.797, -234.783,   0.751)  ( 0.04,  0.01,  0.17)
174:     angle   (-31.194, -139.586,   3.796)  (-31.192, -139.579,   3.796)  ( 0.01,  0.01,  0.02)
174:     torsion (  0.858,  -0.272,  -6.868)  (  0.858,  -0.272,  -6.867)  ( 0.00,  0.00,  0.03)
174:     vdw     (-15.468, -14.017,   4.082)  (-15.468, -14.017,   4.082)  ( 0.00,  0.00,  0.00)
174:     electro (  1.719,   3.204,  -1.249)  (  1.719,   3.204,  -1.249)  ( 0.00,  0.00,  0.00)
174: 35       (142.773, 236.088,  -1.496)  (142.802, 236.107,  -1.493)  ( 0.02,  0.01,  0.17)
174:     bond    (206.434, 163.892,  13.017)  (206.460, 163.909,  13.018)  ( 0.01,  0.01,  0.01)
174:     angle   (-39.945,  50.897,  -7.365)  (-39.944,  50.898,  -7.365)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.431,  -0.230,  -3.930)  (  0.431,  -0.230,  -3.929)  ( 0.00,  0.00,  0.03)
174:     vdw     (-27.097,  24.813,  -4.027)  (-27.097,  24.813,  -4.027)  ( 0.00,  0.00,  0.00)
174:     electro (  2.951,  -3.283,   0.810)  (  2.951,  -3.283,   0.810)  ( 0.00,  0.00,  0.00)
174: 36       (-348.144,  45.726, -15.226)  (-348.081,  45.755, -15.186)  ( 0.02,  0.06,  0.26)
174:     bond    (-239.050,  39.747, -32.741)  (-238.998,  39.769, -32.711)  ( 0.02,  0.06,  0.09)
174:     angle   (-98.891,  -1.257,  19.357)  (-98.879,  -1.249,  19.367)  ( 0.01,  0.59,  0.05)
174:     torsion (-12.409,   2.698,  -2.484)  (-12.409,   2.697,  -2.484)  ( 0.00,  0.03,  0.02)
174:     vdw     (  2.205,   4.537,   0.642)  (  2.205,   4.537,   0.642)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 37       (260.970, 137.842, 191.207)  (261.009, 137.882, 191.260)  ( 0.02,  0.03,  0.03)
174:     bond    (191.217, 106.275, 118.659)  (191.249, 106.307, 118.700)  ( 0.02,  0.03,  0.03)
174:     angle   ( 64.540,  22.288,  66.066)  ( 64.548,  22.296,  66.078)  ( 0.01,  0.04,  0.02)
174:     torsion (  9.181,   7.136,   5.651)  (  9.180,   7.135,   5.651)  ( 0.01,  0.01,  0.00)
174:     vdw     ( -3.968,   2.143,   0.831)  ( -3.968,   2.143,   0.831)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 38       ( 16.136,  59.317, -86.231)  ( 16.143,  59.328, -86.216)  ( 0.04,  0.02,  0.02)
174:     bond    (-31.265,  54.954, -64.675)  (-31.262,  54.964, -64.661)  ( 0.01,  0.02,  0.02)
174:     angle   ( 44.812,   3.736, -18.493)  ( 44.817,   3.737, -18.492)  ( 0.01,  0.02,  0.01)
174:     torsion (  6.391,  -0.139,  -3.207)  (  6.390,  -0.139,  -3.208)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -3.801,   0.766,   0.144)  ( -3.801,   0.766,   0.144)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 39       (-24.158, -54.978,  89.296)  (-24.143, -54.974,  89.310)  ( 0.06,  0.01,  0.02)
174:     bond    (-61.767, -23.258,  61.775)  (-61.754, -23.257,  61.787)  ( 0.02,  0.01,  0.02)
174:     angle   ( 34.251, -33.220,  21.730)  ( 34.254, -33.218,  21.732)  ( 0.01,  0.01,  0.01)
174:     torsion (  5.676,  -2.819,   4.611)  (  5.675,  -2.819,   4.611)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.318,   4.320,   1.179)  ( -2.318,   4.320,   1.179)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 40       ( 26.973,  60.878, -82.459)  ( 26.982,  60.894, -82.450)  ( 0.03,  0.03,  0.01)
174:     bond    ( 49.149,  67.374, -37.914)  ( 49.157,  67.388, -37.910)  ( 0.02,  0.02,  0.01)
174:     angle   (-22.261,  -6.635, -40.663)  (-22.260,  -6.635, -40.658)  ( 0.01,  0.01,  0.01)
174:     torsion ( -2.626,  -1.535,  -6.134)  ( -2.626,  -1.535,  -6.134)  ( 0.01,  0.01,  0.00)
174:     vdw     (  2.712,   1.675,   2.252)  (  2.712,   1.675,   2.252)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 41       (-17.184, -55.174,  88.068)  (-17.181, -55.171,  88.094)  ( 0.02,  0.01,  0.03)
174:     bond    ( 16.566, -13.316,  86.606)  ( 16.566, -13.315,  86.633)  ( 0.00,  0.00,  0.03)
174:     angle   (-30.264, -36.708,   0.145)  (-30.261, -36.704,   0.145)  ( 0.01,  0.01,  0.00)
174:     torsion ( -6.068,  -5.375,   0.334)  ( -6.068,  -5.375,   0.334)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.582,   0.224,   0.982)  (  2.582,   0.224,   0.982)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 42       ( 11.928,  73.660, -65.040)  ( 11.931,  73.665, -65.015)  ( 0.03,  0.01,  0.04)
174:     bond    ( 19.792,   1.676, -61.552)  ( 19.794,   1.675, -61.526)  ( 0.01,  0.02,  0.04)
174:     angle   ( -6.567,  67.409,  -0.277)  ( -6.566,  67.413,  -0.277)  ( 0.01,  0.01,  0.00)
174:     torsion ( -1.571,   7.699,  -0.296)  ( -1.572,   7.699,  -0.296)  ( 0.01,  0.00,  0.00)
174:     vdw     (  0.274,  -3.123,  -2.916)  (  0.275,  -3.123,  -2.916)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 24 # gradients 
174: ok 25 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (473.590, -2725.065, -91.006)  (473.669, -2725.008, -90.997)  ( 0.02,  0.00,  0.01)
174:     bond    (570.063, -2587.592, -73.527)  (570.134, -2587.549, -73.519)  ( 0.01,  0.00,  0.01)
174:     angle   (-97.632, -137.351, -17.200)  (-97.625, -137.337, -17.201)  ( 0.01,  0.01,  0.00)
174:     torsion (  0.039,   0.013,  -0.294)  (  0.039,   0.013,  -0.293)  ( 0.00,  0.00,  0.05)
174:     vdw     (  1.094,  -0.150,   0.082)  (  1.094,  -0.150,   0.082)  ( 0.00,  0.00,  0.00)
174:     electro (  0.027,   0.016,  -0.067)  (  0.027,   0.016,  -0.067)  ( 0.00,  0.00,  0.00)
174:  2       (456.237, -40.002,  47.232)  (456.330, -39.924,  47.237)  ( 0.02,  0.19,  0.01)
174:     bond    (484.272, -90.146,  51.927)  (484.352, -90.080,  51.929)  ( 0.02,  0.07,  0.00)
174:     angle   (-27.516,  51.039,  -0.309)  (-27.503,  51.050,  -0.309)  ( 0.05,  0.02,  0.01)
174:     torsion (  0.507,   0.271,  -4.293)  (  0.507,   0.271,  -4.290)  ( 0.00,  0.00,  0.07)
174:     vdw     ( -1.088,  -1.174,   0.018)  ( -1.088,  -1.174,   0.018)  ( 0.01,  0.00,  0.00)
174:     electro (  0.062,   0.008,  -0.111)  (  0.062,   0.008,  -0.111)  ( 0.00,  0.00,  0.00)
174:  3       (-439.682, 272.667, -20.145)  (-439.604, 272.755, -20.140)  ( 0.02,  0.03,  0.03)
174:     bond    (-434.344, 334.129, -31.017)  (-434.277, 334.205, -31.016)  ( 0.02,  0.02,  0.00)
174:     angle   (  0.578, -64.603,  -4.985)  (  0.589, -64.592,  -4.984)  ( 0.64,  0.02,  0.03)
174:     torsion ( -1.894,  -0.881,  16.709)  ( -1.894,  -0.881,  16.711)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -4.022,   4.022,  -0.852)  ( -4.022,   4.022,  -0.852)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (-2540.305, -769.727, -316.047)  (-2540.258, -769.642, -316.037)  ( 0.00,  0.01,  0.00)
174:     bond    (-2564.733, -676.690, -321.730)  (-2564.698, -676.613, -321.723)  ( 0.00,  0.01,  0.00)
174:     angle   ( 27.297, -91.996,  12.159)  ( 27.308, -91.988,  12.161)  ( 0.04,  0.01,  0.01)
174:     torsion ( -0.005,  -0.273,  -6.256)  ( -0.005,  -0.273,  -6.254)  ( 0.00,  0.00,  0.02)
174:     vdw     ( -2.864,  -0.768,  -0.221)  ( -2.864,  -0.768,  -0.220)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (152.615,  23.670, -20.267)  (152.663,  23.722, -20.222)  ( 0.03,  0.22,  0.22)
174:     bond    (210.345, -55.349, -26.984)  (210.383, -55.310, -26.947)  ( 0.02,  0.07,  0.14)
174:     angle   (-50.047,  74.481,  16.185)  (-50.037,  74.494,  16.193)  ( 0.02,  0.02,  0.05)
174:     torsion (  0.131,   0.423,  -7.331)  (  0.131,   0.424,  -7.330)  ( 0.00,  0.01,  0.01)
174:     vdw     ( -7.814,   4.115,  -2.137)  ( -7.814,   4.115,  -2.137)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (1785.590, 3194.715, 371.046)  (1785.622, 3194.747, 371.062)  ( 0.00,  0.00,  0.00)
174:     bond    (1706.986, 3075.895, 357.608)  (1707.015, 3075.923, 357.623)  ( 0.00,  0.00,  0.00)
174:     angle   ( 78.219, 118.734,  12.897)  ( 78.222, 118.737,  12.898)  ( 0.00,  0.00,  0.01)
174:     torsion ( -0.042,  -0.079,   0.498)  ( -0.042,  -0.079,   0.498)  ( 0.00,  0.00,  0.01)
174:     vdw     (  0.426,   0.166,   0.043)  (  0.426,   0.166,   0.043)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       ( 79.851,  46.237,  75.880)  ( 79.900,  46.286,  75.900)  ( 0.06,  0.11,  0.03)
174:     bond    ( 96.990,  49.734, 133.186)  ( 97.033,  49.778, 133.199)  ( 0.04,  0.09,  0.01)
174:     angle   (-23.803,   0.498, -50.811)  (-23.797,   0.504, -50.804)  ( 0.03,  0.28,  0.01)
174:     torsion (  3.659,  -4.370,  -7.003)  (  3.659,  -4.370,  -7.002)  ( 0.00,  0.00,  0.01)
174:     vdw     (  3.005,   0.375,   0.507)  (  3.005,   0.375,   0.507)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (  1.028,  17.661, -26.397)  (  1.031,  17.684, -26.388)  ( 0.33,  0.13,  0.03)
174:     bond    (  0.649,  28.028, -13.838)  (  0.649,  28.050, -13.832)  ( 0.01,  0.08,  0.04)
174:     angle   ( 18.498, -10.591, -20.611)  ( 18.501, -10.590, -20.608)  ( 0.02,  0.01,  0.01)
174:     torsion (  0.531,   0.253,   0.537)  (  0.531,   0.253,   0.537)  ( 0.00,  0.00,  0.00)
174:     vdw     (-18.650,  -0.029,   7.514)  (-18.650,  -0.029,   7.514)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       ( -3.258, -11.551,  14.666)  ( -3.254, -11.547,  14.693)  ( 0.11,  0.04,  0.18)
174:     bond    (  1.501,   1.340,   9.477)  (  1.502,   1.341,   9.504)  ( 0.04,  0.04,  0.28)
174:     angle   ( 10.124, -22.656,   1.596)  ( 10.127, -22.652,   1.596)  ( 0.03,  0.02,  0.01)
174:     torsion ( -0.444,  -0.586,   0.153)  ( -0.444,  -0.586,   0.153)  ( 0.00,  0.00,  0.00)
174:     vdw     (-14.439,  10.351,   3.440)  (-14.439,  10.351,   3.440)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 10       (  8.999,  23.828,  -9.746)  (  9.046,  23.880,  -9.699)  ( 0.52,  0.22,  0.48)
174:     bond    (-48.888, 105.451, -60.397)  (-48.852, 105.493, -60.360)  ( 0.07,  0.04,  0.06)
174:     angle   ( 51.506, -71.132,  52.476)  ( 51.518, -71.122,  52.486)  ( 0.02,  0.01,  0.02)
174:     torsion (  2.888,  -2.402,  -0.834)  (  2.888,  -2.402,  -0.834)  ( 0.01,  0.01,  0.03)
174:     vdw     (  3.492,  -8.089,  -0.991)  (  3.493,  -8.089,  -0.991)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (168.618, -73.192,  -8.367)  (168.664, -73.142,  -8.323)  ( 0.03,  0.07,  0.52)
174:     bond    (174.455, -73.803,  12.300)  (174.491, -73.766,  12.336)  ( 0.02,  0.05,  0.29)
174:     angle   ( -5.169,   2.391, -28.800)  ( -5.158,   2.404, -28.792)  ( 0.20,  0.57,  0.03)
174:     torsion ( -1.039,  -0.893,   8.375)  ( -1.039,  -0.893,   8.376)  ( 0.01,  0.02,  0.00)
174:     vdw     (  0.371,  -0.887,  -0.242)  (  0.371,  -0.887,  -0.242)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       ( 29.009,  -1.837, -22.246)  ( 29.025,  -1.824, -22.240)  ( 0.06,  0.69,  0.03)
174:     bond    ( 19.172, -16.718,  -8.157)  ( 19.186, -16.707,  -8.155)  ( 0.07,  0.06,  0.03)
174:     angle   ( 12.531,  27.144, -26.134)  ( 12.533,  27.146, -26.130)  ( 0.01,  0.01,  0.01)
174:     torsion ( -0.871,  -4.448,   7.065)  ( -0.871,  -4.448,   7.065)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.823,  -7.815,   4.980)  ( -1.822,  -7.815,   4.980)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       (-18.591,  20.067,  11.603)  (-18.588,  20.071,  11.630)  ( 0.02,  0.02,  0.24)
174:     bond    (  0.549,   0.488,   6.488)  (  0.549,   0.488,   6.515)  ( 0.01,  0.01,  0.42)
174:     angle   (-20.628,  20.227,   0.222)  (-20.625,  20.230,   0.222)  ( 0.02,  0.02,  0.00)
174:     torsion ( -3.898,   9.473,  -0.381)  ( -3.898,   9.473,  -0.381)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.386, -10.121,   5.274)  (  5.386, -10.120,   5.274)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 14       ( -4.732,  12.031, -27.864)  ( -4.729,  12.039, -27.840)  ( 0.06,  0.06,  0.08)
174:     bond    (  1.186,  -7.219, -16.041)  (  1.186,  -7.214, -16.018)  ( 0.00,  0.06,  0.14)
174:     angle   (  3.461,  11.430,  -4.894)  (  3.464,  11.433,  -4.893)  ( 0.08,  0.03,  0.01)
174:     torsion ( -3.441,   8.521,  -4.093)  ( -3.441,   8.521,  -4.093)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -5.938,  -0.701,  -2.837)  ( -5.938,  -0.701,  -2.837)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 15       (-13.698, -11.039,  21.550)  (-13.694, -11.022,  21.564)  ( 0.03,  0.15,  0.06)
174:     bond    ( -4.106, -16.342,  14.622)  ( -4.105, -16.327,  14.634)  ( 0.02,  0.09,  0.08)
174:     angle   ( -9.290,  14.645,  13.733)  ( -9.287,  14.646,  13.736)  ( 0.03,  0.01,  0.02)
174:     torsion (  4.719,  -6.094,  -5.475)  (  4.719,  -6.094,  -5.475)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -5.020,  -3.247,  -1.330)  ( -5.020,  -3.247,  -1.330)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       (  1.863,  81.697,   5.197)  (  1.890,  81.704,   5.198)  ( 1.45,  0.01,  0.01)
174:     bond    (-16.753,   4.379,  -1.879)  (-16.726,   4.381,  -1.879)  ( 0.16,  0.04,  0.01)
174:     angle   ( 19.859,  78.705,   6.738)  ( 19.860,  78.711,   6.738)  ( 0.00,  0.01,  0.00)
174:     torsion ( -0.066,  -0.028,   0.522)  ( -0.066,  -0.028,   0.523)  ( 0.00,  0.00,  0.02)
174:     vdw     ( -0.387,  -0.730,  -0.098)  ( -0.387,  -0.730,  -0.098)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.790,  -0.630,  -0.086)  ( -0.790,  -0.630,  -0.086)  ( 0.00,  0.00,  0.00)
174: 17       ( 16.835,   7.907,   3.018)  ( 16.841,   7.936,   3.018)  ( 0.03,  0.36,  0.02)
174:     bond    ( -0.453,   5.351,   0.238)  ( -0.453,   5.379,   0.238)  ( 0.01,  0.54,  0.00)
174:     angle   ( 16.859,   1.351,   1.571)  ( 16.865,   1.351,   1.571)  ( 0.03,  0.00,  0.01)
174:     torsion ( -0.089,  -0.042,   0.787)  ( -0.089,  -0.042,   0.788)  ( 0.00,  0.00,  0.06)
174:     vdw     ( -0.202,   0.587,   0.186)  ( -0.202,   0.587,   0.186)  ( 0.00,  0.00,  0.00)
174:     electro (  0.721,   0.661,   0.236)  (  0.721,   0.661,   0.236)  ( 0.00,  0.00,  0.00)
174: 18       (-99.292, 244.321, -59.455)  (-99.240, 244.368, -59.409)  ( 0.05,  0.02,  0.08)
174:     bond    (-148.417, 167.758, -176.834)  (-148.375, 167.796, -176.797)  ( 0.03,  0.02,  0.02)
174:     angle   ( 42.680,  72.995, 119.661)  ( 42.689,  73.003, 119.671)  ( 0.02,  0.01,  0.01)
174:     torsion (  1.407,   0.167,   0.022)  (  1.407,   0.167,   0.022)  ( 0.02,  0.01,  0.00)
174:     vdw     (  5.038,   3.401,  -2.304)  (  5.038,   3.402,  -2.304)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       ( 96.583, -100.565, -112.965)  ( 96.632, -100.532, -112.872)  ( 0.05,  0.03,  0.08)
174:     bond    ( 89.102, -72.229, -82.360)  ( 89.141, -72.204, -82.278)  ( 0.04,  0.03,  0.10)
174:     angle   (  6.652, -35.001, -29.477)  (  6.660, -34.996, -29.466)  ( 0.12,  0.02,  0.04)
174:     torsion ( -3.870,  -4.736,  -0.148)  ( -3.869,  -4.735,  -0.147)  ( 0.03,  0.03,  0.00)
174:     vdw     (  4.700,  11.402,  -0.981)  (  4.700,  11.402,  -0.981)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (-96.914, -186.470, -88.497)  (-96.882, -186.398, -88.448)  ( 0.03,  0.04,  0.06)
174:     bond    (-78.790, -177.103, -33.032)  (-78.764, -177.044, -32.992)  ( 0.03,  0.03,  0.12)
174:     angle   (-37.779,  -5.578, -57.772)  (-37.775,  -5.566, -57.764)  ( 0.01,  0.22,  0.01)
174:     torsion (  3.007,  -1.147,  -2.059)  (  3.009,  -1.147,  -2.058)  ( 0.05,  0.02,  0.03)
174:     vdw     ( 16.394,  -2.558,   3.543)  ( 16.395,  -2.558,   3.543)  ( 0.00,  0.01,  0.00)
174:     electro (  0.254,  -0.083,   0.823)  (  0.254,  -0.083,   0.823)  ( 0.00,  0.00,  0.00)
174: 21       ( 18.115, -22.004,  18.288)  ( 18.119, -22.001,  18.316)  ( 0.02,  0.02,  0.15)
174:     bond    (  2.140,   2.802,  20.123)  (  2.140,   2.803,  20.150)  ( 0.01,  0.02,  0.13)
174:     angle   ( 15.176, -39.573,   3.891)  ( 15.179, -39.570,   3.891)  ( 0.02,  0.01,  0.00)
174:     torsion (  0.307,  -0.893,   0.092)  (  0.307,  -0.893,   0.092)  ( 0.00,  0.01,  0.00)
174:     vdw     (  0.491,  15.659,  -5.817)  (  0.492,  15.659,  -5.817)  ( 0.04,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       (-42.548,  36.110, 101.283)  (-42.494,  36.142, 101.373)  ( 0.13,  0.09,  0.09)
174:     bond    (-23.994,  20.120, 152.420)  (-23.949,  20.145, 152.498)  ( 0.19,  0.13,  0.05)
174:     angle   (-15.950,  11.852, -46.633)  (-15.942,  11.857, -46.621)  ( 0.05,  0.04,  0.03)
174:     torsion (  1.770,   2.186,  -0.008)  (  1.771,   2.188,  -0.008)  ( 0.06,  0.09,  0.00)
174:     vdw     ( -4.798,   2.484,  -4.355)  ( -4.798,   2.484,  -4.355)  ( 0.00,  0.00,  0.00)
174:     electro (  0.424,  -0.532,  -0.141)  (  0.424,  -0.532,  -0.141)  ( 0.00,  0.00,  0.00)
174: 23       (-43.446,  32.619, -30.428)  (-43.381,  32.658, -30.357)  ( 0.15,  0.12,  0.24)
174:     bond    (-51.035,  39.009, -46.081)  (-50.979,  39.040, -46.022)  ( 0.11,  0.08,  0.13)
174:     angle   (  8.095,  -5.547,  21.069)  (  8.103,  -5.543,  21.081)  ( 0.10,  0.08,  0.06)
174:     torsion ( -0.540,  -0.735,   0.027)  ( -0.538,  -0.733,   0.027)  ( 0.06,  0.15,  0.00)
174:     vdw     ( -0.067,  -0.023,  -5.994)  ( -0.067,  -0.023,  -5.994)  ( 0.00,  0.00,  0.00)
174:     electro (  0.101,  -0.083,   0.550)  (  0.101,  -0.083,   0.550)  ( 0.00,  0.00,  0.00)
174: 24       ( 43.655, -32.377,  -0.397)  ( 43.704, -32.347,  -0.301)  ( 0.11,  0.09,  3.82)
174:     bond    ( 53.195, -40.302,   1.077)  ( 53.234, -40.280,   1.160)  ( 0.07,  0.06,  7.75)
174:     angle   (-12.815,   9.925,   0.448)  (-12.807,   9.930,   0.461)  ( 0.06,  0.05,  0.56)
174:     torsion (  0.338,   0.422,   0.009)  (  0.339,   0.424,   0.009)  ( 0.04,  0.09,  0.00)
174:     vdw     (  3.486,  -2.810,  -1.722)  (  3.486,  -2.810,  -1.722)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.549,   0.389,  -0.208)  ( -0.549,   0.389,  -0.208)  ( 0.00,  0.00,  0.00)
174: 25       (-32.886,  25.469,  21.497)  (-32.834,  25.503,  21.587)  ( 0.16,  0.13,  0.42)
174:     bond    (-40.084,  29.921,  66.737)  (-40.040,  29.947,  66.813)  ( 0.11,  0.09,  0.12)
174:     angle   (  3.923,  -1.226, -49.132)  (  3.931,  -1.221, -49.119)  ( 0.20,  0.39,  0.03)
174:     torsion ( -0.183,  -0.218,   0.004)  ( -0.181,  -0.216,   0.004)  ( 0.02,  0.04,  0.00)
174:     vdw     (  3.666,  -3.125,   4.567)  (  3.666,  -3.124,   4.567)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.209,   0.118,  -0.679)  ( -0.209,   0.118,  -0.679)  ( 0.00,  0.00,  0.00)
174: 26       ( 19.751, -10.864, -138.067)  ( 19.814, -10.825, -138.002)  ( 0.32,  0.36,  0.05)
174:     bond    (-33.426,  30.737, -202.437)  (-33.371,  30.770, -202.385)  ( 0.16,  0.11,  0.03)
174:     angle   ( 51.930, -40.568,  58.813)  ( 51.936, -40.564,  58.827)  ( 0.01,  0.01,  0.02)
174:     torsion ( -0.221,  -0.407,  -0.147)  ( -0.220,  -0.405,  -0.147)  ( 0.02,  0.06,  0.00)
174:     vdw     (  1.469,  -0.626,   5.704)  (  1.469,  -0.626,   5.704)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 27       (  9.878,  -7.268,  34.221)  (  9.891,  -7.260,  34.237)  ( 0.13,  0.10,  0.04)
174:     bond    ( 18.852, -13.640,  19.276)  ( 18.863, -13.634,  19.287)  ( 0.06,  0.04,  0.06)
174:     angle   (-12.238,   9.361,  18.582)  (-12.237,   9.362,  18.585)  ( 0.01,  0.01,  0.02)
174:     torsion (  2.363,   3.195,  -0.052)  (  2.363,   3.196,  -0.052)  ( 0.01,  0.02,  0.00)
174:     vdw     (  1.457,  -6.242,  -3.795)  (  1.457,  -6.241,  -3.795)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.556,   0.058,   0.211)  ( -0.556,   0.058,   0.211)  ( 0.00,  0.00,  0.00)
174: 28       (-17.475,  14.834,  -2.649)  (-17.462,  14.842,  -2.635)  ( 0.07,  0.06,  0.54)
174:     bond    (-13.747,  11.035, -13.443)  (-13.735,  11.043, -13.432)  ( 0.08,  0.07,  0.08)
174:     angle   ( -5.564,   4.176,   9.118)  ( -5.562,   4.176,   9.121)  ( 0.02,  0.02,  0.04)
174:     torsion (  0.531,   0.676,   0.013)  (  0.531,   0.676,   0.013)  ( 0.02,  0.03,  0.00)
174:     vdw     (  1.658,  -1.338,   0.526)  (  1.658,  -1.338,   0.526)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.354,   0.285,   1.137)  ( -0.354,   0.285,   1.137)  ( 0.00,  0.00,  0.00)
174: 29       (-40.695,  27.606,  93.442)  (-40.693,  27.608,  93.464)  ( 0.01,  0.01,  0.02)
174:     bond    ( -7.021,   2.002,  89.351)  ( -7.022,   2.002,  89.373)  ( 0.00,  0.01,  0.02)
174:     angle   (-45.674,  35.582,  -4.385)  (-45.672,  35.584,  -4.385)  ( 0.00,  0.00,  0.00)
174:     torsion (  1.551,   2.029,   0.076)  (  1.551,   2.029,   0.076)  ( 0.01,  0.01,  0.00)
174:     vdw     ( 10.450, -12.007,   8.400)  ( 10.450, -12.007,   8.400)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 30       ( -0.829,  -1.200,  15.993)  ( -0.825,  -1.197,  16.022)  ( 0.36,  0.23,  0.18)
174:     bond    ( -2.181,   1.471,  19.357)  ( -2.181,   1.472,  19.386)  ( 0.02,  0.02,  0.15)
174:     angle   (  1.519,  -1.155,   0.259)  (  1.522,  -1.153,   0.259)  ( 0.23,  0.17,  0.00)
174:     torsion ( -0.839,  -1.115,  -0.010)  ( -0.839,  -1.115,  -0.010)  ( 0.02,  0.04,  0.00)
174:     vdw     (  0.546,  -0.339,  -2.337)  (  0.546,  -0.339,  -2.337)  ( 0.00,  0.00,  0.00)
174:     electro (  0.126,  -0.061,  -1.275)  (  0.126,  -0.061,  -1.275)  ( 0.00,  0.00,  0.00)
174: 31       (-11.407,   8.124,   5.758)  (-11.390,   8.134,   5.767)  ( 0.15,  0.12,  0.16)
174:     bond    (-13.844,  10.469,   7.022)  (-13.828,  10.478,   7.026)  ( 0.11,  0.09,  0.06)
174:     angle   (  0.011,  -0.028,   0.060)  (  0.012,  -0.028,   0.065)  ( 0.00,  0.00,  0.03)
174:     torsion ( -0.265,  -0.344,  -0.009)  ( -0.264,  -0.343,  -0.009)  ( 0.01,  0.02,  0.00)
174:     vdw     (  1.683,  -1.247,  -1.020)  (  1.683,  -1.247,  -1.020)  ( 0.00,  0.00,  0.01)
174:     electro (  1.008,  -0.726,  -0.295)  (  1.008,  -0.726,  -0.295)  ( 0.00,  0.00,  0.00)
174: 32       (-52.345, -67.440, -40.041)  (-52.327, -67.403, -40.025)  ( 0.03,  0.06,  0.04)
174:     bond    (-50.873, -72.955, -43.899)  (-50.855, -72.919, -43.886)  ( 0.03,  0.05,  0.03)
174:     angle   ( -1.963,   5.893,  -7.524)  ( -1.963,   5.895,  -7.521)  ( 0.00,  0.03,  0.04)
174:     torsion ( -4.234,   1.481,   2.446)  ( -4.234,   1.481,   2.446)  ( 0.01,  0.00,  0.00)
174:     vdw     (  4.991,  -2.441,   9.032)  (  4.992,  -2.441,   9.032)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.266,   0.581,  -0.096)  ( -0.266,   0.581,  -0.096)  ( 0.00,  0.00,  0.00)
174: 33       ( 60.735, -72.826, 144.796)  ( 60.747, -72.793, 144.826)  ( 0.02,  0.05,  0.02)
174:     bond    (101.827, -37.869, 196.831)  (101.834, -37.846, 196.857)  ( 0.01,  0.06,  0.01)
174:     angle   (-36.650, -45.180, -53.604)  (-36.647, -45.170, -53.601)  ( 0.01,  0.02,  0.00)
174:     torsion ( -7.700,   2.459,   5.024)  ( -7.698,   2.459,   5.024)  ( 0.02,  0.01,  0.01)
174:     vdw     (  3.258,   7.764,  -3.454)  (  3.258,   7.764,  -3.454)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 34       ( 10.585,   0.388,  17.616)  ( 10.635,   0.436,  17.664)  ( 0.47,  1.87,  0.28)
174:     bond    ( -0.500, -12.373,   9.898)  ( -0.463, -12.338,   9.934)  ( 1.85,  0.29,  0.36)
174:     angle   (  9.648,  15.499,  18.299)  (  9.659,  15.512,  18.311)  ( 0.12,  0.08,  0.07)
174:     torsion (  4.643,  -2.560,  -5.629)  (  4.644,  -2.560,  -5.628)  ( 0.02,  0.00,  0.01)
174:     vdw     ( -3.206,  -0.178,  -4.952)  ( -3.206,  -0.178,  -4.952)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 35       (-15.954,  -1.580, -30.115)  (-15.945,  -1.577, -30.093)  ( 0.06,  0.20,  0.07)
174:     bond    (-16.793,  -0.896, -30.319)  (-16.787,  -0.897, -30.298)  ( 0.04,  0.01,  0.07)
174:     angle   (  1.413,  -0.380,  -0.775)  (  1.417,  -0.376,  -0.774)  ( 0.22,  0.12,  0.08)
174:     torsion ( -0.703,   0.187,   0.384)  ( -0.703,   0.187,   0.384)  ( 0.01,  0.00,  0.00)
174:     vdw     (  0.129,  -0.491,   0.595)  (  0.129,  -0.491,   0.595)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 36       (  3.892,  26.603,  30.203)  (  3.901,  26.617,  30.215)  ( 0.24,  0.05,  0.04)
174:     bond    (-14.715,  20.399,  18.854)  (-14.709,  20.410,  18.864)  ( 0.04,  0.06,  0.05)
174:     angle   ( 19.840,   2.318,  12.960)  ( 19.843,   2.320,  12.962)  ( 0.02,  0.08,  0.02)
174:     torsion (  1.928,   0.401,   1.070)  (  1.929,   0.401,   1.070)  ( 0.01,  0.00,  0.01)
174:     vdw     ( -3.162,   3.486,  -2.682)  ( -3.162,   3.486,  -2.682)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 37       ( 35.452,  17.308,  10.249)  ( 35.477,  17.313,  10.254)  ( 0.07,  0.03,  0.05)
174:     bond    ( 32.455,   9.782,  -5.786)  ( 32.479,   9.784,  -5.785)  ( 0.08,  0.02,  0.01)
174:     angle   (  2.700,   4.121,  22.134)  (  2.701,   4.125,  22.137)  ( 0.01,  0.08,  0.02)
174:     torsion (  0.010,   0.083,   0.194)  (  0.010,   0.083,   0.194)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.287,   3.322,  -6.292)  (  0.287,   3.322,  -6.292)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 26 # gradients 
174: ok 27 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (230.770,  15.548,  47.534)  (230.842,  15.637,  47.545)  ( 0.03,  0.58,  0.02)
174:     bond    (121.169,  86.026,  47.443)  (121.228,  86.103,  47.449)  ( 0.05,  0.09,  0.01)
174:     angle   (114.073, -75.278,  10.957)  (114.085, -75.265,  10.959)  ( 0.01,  0.02,  0.02)
174:     torsion (  2.315,   2.076, -10.103)  (  2.315,   2.076, -10.100)  ( 0.00,  0.01,  0.02)
174:     vdw     ( -6.787,   2.723,  -0.763)  ( -6.787,   2.723,  -0.763)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       ( 31.074, -55.193,  28.644)  ( 31.177, -55.120,  28.657)  ( 0.33,  0.13,  0.05)
174:     bond    (105.357, -149.034,  -5.246)  (105.440, -148.979,  -5.239)  ( 0.08,  0.04,  0.14)
174:     angle   (-80.367, 107.149,  -3.347)  (-80.347, 107.165,  -3.343)  ( 0.02,  0.02,  0.11)
174:     torsion (  9.368,  -1.776,  23.908)  (  9.368,  -1.776,  23.910)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -3.283, -11.531,  13.329)  ( -3.283, -11.531,  13.329)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       (-236.753, -106.456, -95.205)  (-236.677, -106.370, -95.193)  ( 0.03,  0.08,  0.01)
174:     bond    (-177.229, -86.227, -64.766)  (-177.165, -86.154, -64.759)  ( 0.04,  0.08,  0.01)
174:     angle   (-70.025, -29.241, -13.562)  (-70.013, -29.228, -13.560)  ( 0.02,  0.04,  0.02)
174:     torsion (  4.874,   3.954, -19.458)  (  4.874,   3.954, -19.456)  ( 0.00,  0.00,  0.01)
174:     vdw     (  5.628,   5.057,   2.581)  (  5.628,   5.057,   2.581)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (-126.999, -160.981, -84.433)  (-126.935, -160.889, -84.419)  ( 0.05,  0.06,  0.02)
174:     bond    (-234.447,  24.970, -55.738)  (-234.396,  25.050, -55.729)  ( 0.02,  0.32,  0.02)
174:     angle   ( 99.611, -183.568, -21.468)  ( 99.624, -183.556, -21.465)  ( 0.01,  0.01,  0.01)
174:     torsion (  1.884,   1.751,  -6.942)  (  1.884,   1.751,  -6.941)  ( 0.01,  0.01,  0.03)
174:     vdw     (  5.953,  -4.134,  -0.285)  (  5.953,  -4.134,  -0.285)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (-22.500, 327.225,  82.973)  (-22.421, 327.266,  82.984)  ( 0.35,  0.01,  0.01)
174:     bond    ( 38.244, 121.228,  41.806)  ( 38.319, 121.256,  41.813)  ( 0.20,  0.02,  0.02)
174:     angle   (-54.031, 208.040,  36.291)  (-54.027, 208.053,  36.292)  ( 0.01,  0.01,  0.00)
174:     torsion ( -1.949,  -1.946,   7.573)  ( -1.949,  -1.946,   7.574)  ( 0.00,  0.01,  0.02)
174:     vdw     ( -4.764,  -0.097,  -2.696)  ( -4.764,  -0.097,  -2.696)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       ( 32.880, -339.346, -69.860)  ( 32.955, -339.260, -69.851)  ( 0.23,  0.03,  0.01)
174:     bond    ( 86.762, -175.637, -21.392)  ( 86.824, -175.563, -21.387)  ( 0.07,  0.04,  0.02)
174:     angle   (-51.939, -157.049, -49.092)  (-51.926, -157.038, -49.090)  ( 0.03,  0.01,  0.00)
174:     torsion ( -0.579,  -0.614,   2.947)  ( -0.579,  -0.614,   2.949)  ( 0.01,  0.01,  0.08)
174:     vdw     ( -0.865,  -6.374,  -2.432)  ( -0.865,  -6.374,  -2.432)  ( 0.02,  0.00,  0.00)
174:     electro ( -0.499,   0.329,   0.109)  ( -0.499,   0.329,   0.109)  ( 0.00,  0.00,  0.00)
174:  7       (133.858,  88.163,  -4.538)  (133.901,  88.209,  -4.499)  ( 0.03,  0.05,  0.86)
174:     bond    (120.107, -51.316, -45.582)  (120.140, -51.282, -45.553)  ( 0.03,  0.07,  0.06)
174:     angle   ( 14.796, 145.842,  41.461)  ( 14.806, 145.853,  41.471)  ( 0.07,  0.01,  0.02)
174:     torsion ( -0.612,  -0.558,   2.434)  ( -0.612,  -0.558,   2.435)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -0.433,  -5.805,  -2.852)  ( -0.433,  -5.804,  -2.852)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       ( -8.961,  88.814,  12.903)  ( -8.949,  88.851,  12.924)  ( 0.13,  0.04,  0.16)
174:     bond    (-20.203, 101.675,  18.600)  (-20.201, 101.710,  18.616)  ( 0.01,  0.04,  0.09)
174:     angle   ( 38.037, -13.083,   7.156)  ( 38.047, -13.081,   7.160)  ( 0.03,  0.01,  0.06)
174:     torsion (-21.767,  -2.156,  -9.606)  (-21.768,  -2.156,  -9.606)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -5.028,   2.378,  -3.247)  ( -5.027,   2.378,  -3.247)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       ( -1.781,  27.438,   6.210)  ( -1.735,  27.485,   6.259)  ( 2.59,  0.17,  0.79)
174:     bond    ( -2.842, -29.193,  13.720)  ( -2.805, -29.158,  13.757)  ( 1.28,  0.12,  0.27)
174:     angle   ( -6.775,  56.706,  -9.037)  ( -6.765,  56.718,  -9.025)  ( 0.15,  0.02,  0.13)
174:     torsion (  8.642,  -0.633,   2.133)  (  8.642,  -0.634,   2.133)  ( 0.01,  0.02,  0.01)
174:     vdw     ( -0.806,   0.558,  -0.606)  ( -0.806,   0.558,  -0.606)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 10       (121.026,  97.357,  77.519)  (121.076,  97.405,  77.566)  ( 0.04,  0.05,  0.06)
174:     bond    ( 55.916,  58.881,  22.131)  ( 55.952,  58.916,  22.168)  ( 0.06,  0.06,  0.17)
174:     angle   ( 65.497,  37.697,  49.927)  ( 65.510,  37.710,  49.937)  ( 0.02,  0.04,  0.02)
174:     torsion ( -1.399,  -1.243,   5.820)  ( -1.399,  -1.243,   5.820)  ( 0.00,  0.00,  0.01)
174:     vdw     (  1.013,   2.022,  -0.358)  (  1.013,   2.022,  -0.358)  ( 0.01,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (-178.441,  56.536, -12.123)  (-178.391,  56.584, -12.076)  ( 0.03,  0.09,  0.39)
174:     bond    (-113.413,  39.694, -12.800)  (-113.376,  39.729, -12.764)  ( 0.03,  0.09,  0.28)
174:     angle   (-63.583,  15.799,   0.304)  (-63.571,  15.813,   0.315)  ( 0.02,  0.08,  0.31)
174:     torsion ( -0.164,  -0.169,   0.725)  ( -0.164,  -0.169,   0.726)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -1.281,   1.211,  -0.352)  ( -1.281,   1.211,  -0.352)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (-309.585, 168.570, -61.479)  (-309.474, 168.656, -61.471)  ( 0.04,  0.05,  0.01)
174:     bond    (-261.125, 204.404, -58.888)  (-261.025, 204.475, -58.884)  ( 0.04,  0.03,  0.01)
174:     angle   (-44.453, -44.369,  -0.417)  (-44.442, -44.354,  -0.417)  ( 0.03,  0.03,  0.01)
174:     torsion (  0.061,  -0.086,  -0.605)  (  0.061,  -0.086,  -0.601)  ( 0.00,  0.00,  0.25)
174:     vdw     ( -4.068,   8.620,  -1.569)  ( -4.068,   8.620,  -1.569)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       ( 43.845, -102.204,  20.477)  ( 43.934, -102.124,  20.483)  ( 0.20,  0.08,  0.03)
174:     bond    (117.722, -98.093,  27.700)  (117.798, -98.025,  27.703)  ( 0.06,  0.07,  0.01)
174:     angle   (-74.835,  -7.801,  -6.628)  (-74.822,  -7.789,  -6.628)  ( 0.02,  0.15,  0.00)
174:     torsion (  0.024,  -0.039,  -0.234)  (  0.024,  -0.039,  -0.230)  ( 0.00,  0.00,  0.08)
174:     vdw     (  2.133,   2.565,  -0.133)  (  2.133,   2.565,  -0.133)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.199,   1.164,  -0.229)  ( -1.199,   1.164,  -0.229)  ( 0.00,  0.00,  0.00)
174: 14       (-36.109, -48.858,   3.417)  (-36.039, -48.759,   3.424)  ( 0.20,  0.20,  0.21)
174:     bond    (-115.278, -76.367,  -0.800)  (-115.221, -76.279,  -0.797)  ( 0.05,  0.11,  0.30)
174:     angle   ( 71.512,  27.575,   3.506)  ( 71.525,  27.586,   3.506)  ( 0.02,  0.04,  0.01)
174:     torsion (  0.015,  -0.022,  -0.148)  (  0.015,  -0.022,  -0.145)  ( 0.00,  0.00,  0.05)
174:     vdw     (  8.156,  -0.533,   0.952)  (  8.157,  -0.533,   0.952)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.515,   0.489,  -0.092)  ( -0.515,   0.489,  -0.092)  ( 0.00,  0.00,  0.00)
174: 15       ( 33.113,  48.660,  -4.041)  ( 33.209,  48.734,  -4.035)  ( 0.29,  0.15,  0.17)
174:     bond    ( 31.105, 131.273, -16.544)  ( 31.189, 131.334, -16.541)  ( 0.27,  0.05,  0.02)
174:     angle   ( -1.857, -74.929,  11.143)  ( -1.845, -74.917,  11.143)  ( 0.64,  0.02,  0.00)
174:     torsion (  0.027,  -0.039,  -0.263)  (  0.027,  -0.039,  -0.260)  ( 0.00,  0.00,  0.08)
174:     vdw     (  3.027,  -7.745,   1.526)  (  3.027,  -7.745,   1.526)  ( 0.00,  0.00,  0.00)
174:     electro (  0.811,   0.101,   0.097)  (  0.811,   0.101,   0.097)  ( 0.00,  0.00,  0.00)
174: 16       (121.317,  -1.933,  14.143)  (121.404,  -1.852,  14.149)  ( 0.07,  4.20,  0.04)
174:     bond    (133.239, -68.848,  24.454)  (133.314, -68.779,  24.457)  ( 0.06,  0.10,  0.01)
174:     angle   (-10.468,  68.924, -10.394)  (-10.456,  68.937, -10.394)  ( 0.12,  0.02,  0.00)
174:     torsion (  0.005,  -0.025,  -0.143)  (  0.005,  -0.024,  -0.140)  ( 0.00,  0.00,  0.05)
174:     vdw     ( -2.434,  -2.403,   0.153)  ( -2.434,  -2.403,   0.153)  ( 0.00,  0.00,  0.00)
174:     electro (  0.975,   0.417,   0.073)  (  0.975,   0.417,   0.073)  ( 0.00,  0.00,  0.00)
174: 17       (-325.590, 298.031, -75.555)  (-325.500, 298.136, -75.547)  ( 0.03,  0.04,  0.01)
174:     bond    (-371.855, 211.563, -66.837)  (-371.779, 211.658, -66.833)  ( 0.02,  0.04,  0.01)
174:     angle   ( 55.346,  85.009,  -7.558)  ( 55.360,  85.020,  -7.558)  ( 0.03,  0.01,  0.00)
174:     torsion (  0.036,  -0.026,  -0.174)  (  0.037,  -0.026,  -0.170)  ( 0.00,  0.00,  0.06)
174:     vdw     ( -9.118,   1.484,  -0.986)  ( -9.118,   1.484,  -0.986)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       (164.570, -216.301,  59.167)  (164.657, -216.222,  59.174)  ( 0.05,  0.04,  0.01)
174:     bond    (138.178, -139.130,  38.931)  (138.251, -139.065,  38.934)  ( 0.05,  0.05,  0.01)
174:     angle   ( 25.727, -77.475,  12.790)  ( 25.740, -77.460,  12.791)  ( 0.05,  0.02,  0.00)
174:     torsion ( -0.695,   0.990,   6.900)  ( -0.695,   0.990,   6.903)  ( 0.00,  0.01,  0.04)
174:     vdw     (  2.153,  -5.046,   0.612)  (  2.153,  -5.046,   0.612)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.792,   4.359,  -0.065)  ( -0.792,   4.359,  -0.065)  ( 0.00,  0.00,  0.00)
174: 19       (-965.766, 2663.086, -575.860)  (-965.690, 2663.170, -575.850)  ( 0.01,  0.00,  0.00)
174:     bond    (-1418.917, 2382.703, -443.048)  (-1418.856, 2382.777, -443.040)  ( 0.00,  0.00,  0.00)
174:     angle   (447.095, 281.029, -129.732)  (447.109, 281.038, -129.733)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.024,   0.039,   0.308)  (  0.024,   0.039,   0.309)  ( 0.00,  0.00,  0.05)
174:     vdw     (  6.033,  -0.685,  -3.387)  (  6.033,  -0.685,  -3.387)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (114.232, -437.606,  83.440)  (114.289, -437.539,  83.444)  ( 0.05,  0.02,  0.00)
174:     bond    (358.499, -354.381,  86.813)  (358.545, -354.320,  86.816)  ( 0.01,  0.02,  0.00)
174:     angle   (-245.243, -83.323,  -1.702)  (-245.232, -83.318,  -1.702)  ( 0.00,  0.01,  0.01)
174:     torsion (  0.110,  -0.237,  -1.547)  (  0.110,  -0.237,  -1.546)  ( 0.00,  0.00,  0.07)
174:     vdw     (  0.866,   0.335,  -0.124)  (  0.866,   0.335,  -0.124)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (1412.002, -2219.798, 590.177)  (1412.038, -2219.762, 590.203)  ( 0.00,  0.00,  0.00)
174:     bond    (1625.070, -1930.637, 478.096)  (1625.097, -1930.605, 478.116)  ( 0.00,  0.00,  0.00)
174:     angle   (-197.172, -290.361, 113.648)  (-197.163, -290.357, 113.653)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.078,  -0.157,  -1.123)  (  0.078,  -0.157,  -1.123)  ( 0.00,  0.00,  0.02)
174:     vdw     (-21.130,   1.015,  -0.657)  (-21.129,   1.015,  -0.657)  ( 0.00,  0.00,  0.00)
174:     electro (  5.156,   0.342,   0.213)  (  5.156,   0.342,   0.213)  ( 0.00,  0.00,  0.00)
174: 22       (-366.659, -78.515, -15.951)  (-366.643, -78.496, -15.948)  ( 0.00,  0.02,  0.02)
174:     bond    (-171.955, -219.996, -39.220)  (-171.945, -219.980, -39.219)  ( 0.01,  0.01,  0.00)
174:     angle   (-23.182,  13.743,  24.534)  (-23.181,  13.744,  24.536)  ( 0.01,  0.01,  0.01)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (-160.520, 122.573,  -1.512)  (-160.516, 122.575,  -1.512)  ( 0.00,  0.00,  0.03)
174:     electro (-11.002,   5.165,   0.246)  (-11.002,   5.165,   0.246)  ( 0.00,  0.00,  0.00)
174: 23       (-22.584,  54.833,   6.425)  (-22.566,  54.848,   6.428)  ( 0.08,  0.03,  0.05)
174:     bond    ( 15.086,  13.833,   6.673)  ( 15.101,  13.845,   6.676)  ( 0.09,  0.09,  0.04)
174:     angle   (-45.622,  49.256,   1.036)  (-45.620,  49.258,   1.036)  ( 0.01,  0.01,  0.01)
174:     torsion (  0.047,   0.044,  -0.198)  (  0.047,   0.044,  -0.198)  ( 0.00,  0.00,  0.01)
174:     vdw     (  7.493,  -8.141,  -1.046)  (  7.493,  -8.141,  -1.046)  ( 0.00,  0.00,  0.00)
174:     electro (  0.412,  -0.158,  -0.040)  (  0.412,  -0.158,  -0.040)  ( 0.00,  0.00,  0.00)
174: 24       (-16.608, -19.937, -12.909)  (-16.604, -19.911, -12.905)  ( 0.02,  0.13,  0.03)
174:     bond    ( -3.330, -18.505,   2.198)  ( -3.329, -18.479,   2.198)  ( 0.02,  0.14,  0.01)
174:     angle   (-13.113,  -0.092, -20.627)  (-13.110,  -0.092, -20.624)  ( 0.02,  0.00,  0.02)
174:     torsion (  0.001,  -0.003,  -0.022)  (  0.001,  -0.003,  -0.022)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.167,  -1.338,   5.543)  ( -0.167,  -1.338,   5.543)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       ( 11.683,   5.989,  18.013)  ( 11.692,   5.996,  18.033)  ( 0.07,  0.12,  0.11)
174:     bond    ( 19.057,  11.460,  31.582)  ( 19.064,  11.462,  31.601)  ( 0.03,  0.02,  0.06)
174:     angle   (-13.425,  45.799,  -8.517)  (-13.423,  45.803,  -8.516)  ( 0.02,  0.01,  0.01)
174:     torsion ( -0.014,  -0.022,   0.017)  ( -0.014,  -0.022,   0.017)  ( 0.00,  0.00,  0.00)
174:     vdw     (  6.066, -51.248,  -5.069)  (  6.066, -51.246,  -5.069)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 26       (  0.724, -29.231,  -9.886)  (  0.729, -29.220,  -9.867)  ( 0.37,  0.04,  0.20)
174:     bond    (  4.372,  -9.327, -14.621)  (  4.374,  -9.320, -14.603)  ( 0.04,  0.08,  0.13)
174:     angle   ( -0.345, -31.995,  20.315)  ( -0.342, -31.992,  20.316)  ( 0.13,  0.01,  0.00)
174:     torsion ( -6.009,   0.002,  -1.801)  ( -6.009,   0.002,  -1.801)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.706,  12.090, -13.779)  (  2.706,  12.090, -13.778)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 27       (-25.773,  20.839,  -2.648)  (-25.754,  20.850,  -2.643)  ( 0.07,  0.06,  0.18)
174:     bond    (-26.324,  19.256,  -7.192)  (-26.307,  19.266,  -7.191)  ( 0.07,  0.05,  0.02)
174:     angle   ( -1.773,  -2.324,   0.259)  ( -1.772,  -2.322,   0.263)  ( 0.07,  0.11,  0.09)
174:     torsion (  2.286,   4.628,   4.034)  (  2.286,   4.628,   4.034)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.038,  -0.721,   0.252)  (  0.038,  -0.721,   0.252)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 28       ( 31.717,  10.764,   4.950)  ( 31.735,  10.776,   4.955)  ( 0.06,  0.11,  0.10)
174:     bond    ( 24.691,  19.128,   8.139)  ( 24.707,  19.138,   8.140)  ( 0.07,  0.05,  0.02)
174:     angle   (  4.802,  -5.862,  -0.807)  (  4.803,  -5.860,  -0.803)  ( 0.04,  0.04,  0.26)
174:     torsion (  3.079,  -3.340,  -1.493)  (  3.079,  -3.340,  -1.494)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.855,   0.838,  -0.889)  ( -0.855,   0.838,  -0.889)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 29       ( 17.273,  -9.621,   3.628)  ( 17.287,  -9.611,   3.639)  ( 0.08,  0.11,  0.30)
174:     bond    ( 27.772, -19.828,  22.921)  ( 27.785, -19.821,  22.930)  ( 0.05,  0.03,  0.04)
174:     angle   ( -7.655, -43.113, -27.996)  ( -7.653, -43.111, -27.993)  ( 0.03,  0.01,  0.01)
174:     torsion ( -0.003,   0.001,   0.005)  ( -0.003,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.841,  53.319,   8.698)  ( -2.841,  53.320,   8.698)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 30       (  8.872,   4.980, -31.183)  (  8.880,   4.987, -31.164)  ( 0.10,  0.15,  0.06)
174:     bond    ( 14.300,  12.483, -24.570)  ( 14.306,  12.488, -24.553)  ( 0.04,  0.04,  0.07)
174:     angle   ( -5.491,  -6.853,  -6.683)  ( -5.488,  -6.850,  -6.681)  ( 0.05,  0.05,  0.02)
174:     torsion ( -0.006,   0.007,   0.000)  ( -0.006,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.068,  -0.657,   0.070)  (  0.068,  -0.657,   0.070)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 31       (-38.803,  21.558,  -3.759)  (-38.796,  21.575,  -3.747)  ( 0.02,  0.08,  0.31)
174:     bond    ( -9.767,  20.602,  16.092)  ( -9.764,  20.617,  16.101)  ( 0.03,  0.07,  0.06)
174:     angle   (-39.187,   1.263, -25.384)  (-39.183,   1.265, -25.382)  ( 0.01,  0.14,  0.01)
174:     torsion (  0.002,  -0.008,   0.011)  (  0.002,  -0.008,   0.011)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 10.149,  -0.299,   5.522)  ( 10.150,  -0.299,   5.522)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 32       ( -1.413, -33.007,  -7.791)  ( -1.399, -32.990,  -7.786)  ( 0.98,  0.05,  0.06)
174:     bond    (-17.356, -19.718,  -3.615)  (-17.344, -19.703,  -3.614)  ( 0.07,  0.08,  0.01)
174:     angle   ( 25.951, -21.946,  -4.917)  ( 25.953, -21.945,  -4.913)  ( 0.01,  0.01,  0.08)
174:     torsion (  0.013,   0.004,  -0.083)  (  0.013,   0.004,  -0.083)  ( 0.00,  0.00,  0.00)
174:     vdw     (-10.021,   8.654,   0.824)  (-10.021,   8.654,   0.824)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 33       ( 14.342,  25.091,  24.049)  ( 14.347,  25.101,  24.069)  ( 0.04,  0.04,  0.08)
174:     bond    ( -8.159,  14.049,  22.197)  ( -8.157,  14.056,  22.215)  ( 0.03,  0.05,  0.08)
174:     angle   ( 25.372,  11.763,   1.871)  ( 25.375,  11.766,   1.872)  ( 0.01,  0.03,  0.07)
174:     torsion ( -0.032,  -0.072,   0.034)  ( -0.032,  -0.072,   0.034)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.839,  -0.649,  -0.052)  ( -2.839,  -0.649,  -0.052)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 34       ( 14.982,  24.879, -21.566)  ( 14.985,  24.891, -21.547)  ( 0.02,  0.05,  0.09)
174:     bond    ( -1.186,  18.722, -25.133)  ( -1.186,  18.732, -25.115)  ( 0.01,  0.05,  0.07)
174:     angle   ( 16.567,   6.266,   3.891)  ( 16.570,   6.268,   3.893)  ( 0.02,  0.04,  0.04)
174:     torsion (  0.018,   0.066,   0.048)  (  0.018,   0.066,   0.048)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.417,  -0.174,  -0.372)  ( -0.417,  -0.174,  -0.372)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 35       (  4.828,   0.430,   0.212)  (  4.842,   0.451,   0.213)  ( 0.29,  0.89,  0.02)
174:     bond    (  1.611,   2.181,  -0.163)  (  1.621,   2.200,  -0.162)  ( 0.63,  0.86,  0.00)
174:     angle   (  3.124,  -2.253,   0.734)  (  3.127,  -2.251,   0.734)  ( 0.12,  0.08,  0.00)
174:     torsion (  0.021,  -0.030,  -0.197)  (  0.021,  -0.030,  -0.196)  ( 0.00,  0.00,  0.02)
174:     vdw     ( -0.881,   1.566,  -0.324)  ( -0.881,   1.566,  -0.324)  ( 0.00,  0.00,  0.00)
174:     electro (  0.953,  -1.035,   0.162)  (  0.953,  -1.035,   0.162)  ( 0.00,  0.00,  0.00)
174: 36       (-38.521,   8.137,  -5.650)  (-38.493,   8.143,  -5.648)  ( 0.07,  0.08,  0.03)
174:     bond    (-41.790,   5.311,  -5.340)  (-41.762,   5.312,  -5.339)  ( 0.07,  0.01,  0.01)
174:     angle   (  0.354,   2.444,  -0.335)  (  0.354,   2.449,  -0.335)  ( 0.00,  0.22,  0.00)
174:     torsion (  0.022,  -0.032,  -0.207)  (  0.022,  -0.032,  -0.206)  ( 0.00,  0.00,  0.01)
174:     vdw     (  2.141,   0.498,   0.160)  (  2.141,   0.498,   0.160)  ( 0.00,  0.01,  0.00)
174:     electro (  0.751,  -0.084,   0.071)  (  0.751,  -0.084,   0.071)  ( 0.00,  0.00,  0.00)
174: 37       (-21.113,  33.562,  -7.402)  (-21.104,  33.587,  -7.401)  ( 0.05,  0.07,  0.03)
174:     bond    (-17.334,  38.426,  -7.733)  (-17.329,  38.450,  -7.732)  ( 0.03,  0.06,  0.01)
174:     angle   ( -3.889,  -1.784,  -0.159)  ( -3.885,  -1.783,  -0.159)  ( 0.12,  0.05,  0.00)
174:     torsion ( -0.003,   0.004,   0.027)  ( -0.003,   0.004,   0.028)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.176,  -2.175,   0.348)  (  0.176,  -2.175,   0.348)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.062,  -0.910,   0.114)  ( -0.062,  -0.910,   0.114)  ( 0.00,  0.00,  0.00)
174: 38       ( -5.431,  -0.451,   0.024)  ( -5.417,  -0.431,   0.025)  ( 0.26,  0.91,  0.00)
174:     bond    ( -1.879,  -2.467,   0.180)  ( -1.868,  -2.448,   0.180)  ( 0.57,  0.74,  0.00)
174:     angle   ( -0.324,   0.244,   0.014)  ( -0.321,   0.246,   0.014)  ( 0.11,  0.05,  0.00)
174:     torsion ( -0.045,   0.066,   0.437)  ( -0.045,   0.066,   0.437)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -1.909,   0.542,  -0.273)  ( -1.909,   0.542,  -0.273)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.274,   1.163,  -0.334)  ( -1.274,   1.163,  -0.334)  ( 0.00,  0.00,  0.00)
174: 39       (204.595, -232.813,  17.423)  (204.607, -232.783,  17.424)  ( 0.01,  0.01,  0.00)
174:     bond    (-25.243, -90.642,   9.182)  (-25.240, -90.615,   9.182)  ( 0.01,  0.03,  0.01)
174:     angle   ( 46.593, -12.125,   8.430)  ( 46.598, -12.125,   8.430)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.323,  -0.400,  -3.056)  (  0.323,  -0.400,  -3.055)  ( 0.00,  0.00,  0.02)
174:     vdw     (176.635, -118.304,   3.193)  (176.640, -118.302,   3.193)  ( 0.00,  0.00,  0.02)
174:     electro (  6.286, -11.341,  -0.326)  (  6.286, -11.341,  -0.326)  ( 0.00,  0.00,  0.00)
174: ok 28 # gradients 
174: ok 29 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (-483.685, -788.434, -25.900)  (-483.635, -788.379, -25.858)  ( 0.01,  0.01,  0.16)
174:     bond    (-123.483, -133.688,  12.161)  (-123.445, -133.645,  12.191)  ( 0.03,  0.03,  0.25)
174:     angle   (-359.908, -649.896, -38.074)  (-359.897, -649.884, -38.062)  ( 0.00,  0.00,  0.03)
174:     torsion (  2.101,  -1.457,   2.833)  (  2.101,  -1.457,   2.833)  ( 0.02,  0.02,  0.02)
174:     vdw     ( -2.395,  -3.392,  -2.820)  ( -2.395,  -3.392,  -2.820)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (-150.289,  75.914, 142.318)  (-150.239,  75.954, 142.365)  ( 0.03,  0.05,  0.03)
174:     bond    (  9.834,  50.544, -146.894)  (  9.875,  50.571, -146.855)  ( 0.41,  0.05,  0.03)
174:     angle   (-153.746,  27.483, 293.328)  (-153.736,  27.495, 293.336)  ( 0.01,  0.04,  0.00)
174:     torsion ( -6.223,  -2.600,  -3.652)  ( -6.222,  -2.599,  -3.651)  ( 0.01,  0.03,  0.02)
174:     vdw     ( -0.155,   0.487,  -0.464)  ( -0.155,   0.487,  -0.464)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       (118.446, 171.114, -465.743)  (118.500, 171.156, -465.699)  ( 0.04,  0.02,  0.01)
174:     bond    (-19.118,  50.713, -154.500)  (-19.073,  50.747, -154.471)  ( 0.24,  0.07,  0.02)
174:     angle   (137.091,  91.897, -324.372)  (137.099,  91.904, -324.357)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.601,  28.940,  16.482)  ( -0.601,  28.940,  16.483)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.074,  -0.436,  -3.354)  (  1.074,  -0.436,  -3.354)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (-86.609, 439.014, 711.149)  (-86.565, 439.062, 711.205)  ( 0.05,  0.01,  0.01)
174:     bond    (-32.932,  73.361, 171.694)  (-32.901,  73.397, 171.737)  ( 0.09,  0.05,  0.03)
174:     angle   (-54.988, 361.477, 537.547)  (-54.976, 361.488, 537.560)  ( 0.02,  0.00,  0.00)
174:     torsion (  0.844,   1.591,  -0.716)  (  0.845,   1.592,  -0.716)  ( 0.04,  0.03,  0.01)
174:     vdw     (  0.467,   2.585,   2.624)  (  0.467,   2.585,   2.624)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       ( -7.567, -638.470,  59.542)  ( -7.494, -638.410,  59.578)  ( 0.97,  0.01,  0.06)
174:     bond    (236.905, -169.810,   6.565)  (236.972, -169.758,   6.592)  ( 0.03,  0.03,  0.41)
174:     angle   (-212.896, -410.032, 140.931)  (-212.889, -410.024, 140.940)  ( 0.00,  0.00,  0.01)
174:     torsion (-26.430, -66.832, -87.390)  (-26.430, -66.832, -87.390)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -5.147,   8.205,  -0.565)  ( -5.147,   8.205,  -0.565)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (228.653, 260.133,  44.807)  (228.739, 260.195,  44.834)  ( 0.04,  0.02,  0.06)
174:     bond    (-54.553, -97.251, 136.985)  (-54.476, -97.200, 137.006)  ( 0.14,  0.05,  0.02)
174:     angle   (241.657, 321.716, -125.937)  (241.665, 321.726, -125.930)  ( 0.00,  0.00,  0.00)
174:     torsion ( 33.723,  32.553,  36.486)  ( 33.724,  32.554,  36.486)  ( 0.00,  0.00,  0.00)
174:     vdw     (  8.350,   3.286,  -3.257)  (  8.350,   3.286,  -3.257)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.524,  -0.171,   0.530)  ( -0.524,  -0.171,   0.530)  ( 0.00,  0.00,  0.00)
174:  7       (-587.438, -143.305,  11.645)  (-587.363, -143.225,  11.664)  ( 0.01,  0.06,  0.17)
174:     bond    (-298.842, -73.718,  17.820)  (-298.773, -73.651,  17.834)  ( 0.02,  0.09,  0.08)
174:     angle   (-258.526, -67.862, -17.538)  (-258.520, -67.851, -17.531)  ( 0.00,  0.02,  0.04)
174:     torsion (-39.427,  -2.663,  13.927)  (-39.427,  -2.663,  13.926)  ( 0.00,  0.00,  0.01)
174:     vdw     (  9.955,   0.661,  -2.710)  (  9.955,   0.661,  -2.710)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.598,   0.279,   0.145)  ( -0.598,   0.279,   0.145)  ( 0.00,  0.00,  0.00)
174:  8       ( 45.410,  31.974, 493.709)  ( 45.471,  32.044, 493.748)  ( 0.13,  0.22,  0.01)
174:     bond    (-37.015, 339.079, 109.544)  (-36.964, 339.142, 109.578)  ( 0.14,  0.02,  0.03)
174:     angle   ( 63.762, -301.464, 382.571)  ( 63.773, -301.456, 382.577)  ( 0.02,  0.00,  0.00)
174:     torsion ( 14.673,   1.679,  -0.383)  ( 14.672,   1.679,  -0.383)  ( 0.00,  0.00,  0.02)
174:     vdw     (  3.991,  -7.321,   1.976)  (  3.991,  -7.320,   1.976)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  9       (360.867, 242.908, -676.023)  (360.927, 242.947, -675.950)  ( 0.02,  0.02,  0.01)
174:     bond    (152.916,   8.014, -198.640)  (152.966,   8.044, -198.571)  ( 0.03,  0.37,  0.03)
174:     angle   (227.853, 245.387, -443.490)  (227.864, 245.396, -443.485)  ( 0.00,  0.00,  0.00)
174:     torsion (-13.958, -16.520, -43.857)  (-13.958, -16.521, -43.857)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -5.702,   5.042,  10.533)  ( -5.702,   5.042,  10.533)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.242,   0.986,  -0.569)  ( -0.242,   0.986,  -0.569)  ( 0.00,  0.00,  0.00)
174: 10       (-111.605, -180.030, 561.474)  (-111.548, -179.947, 561.506)  ( 0.05,  0.05,  0.01)
174:     bond    ( 67.468,  54.576, -12.563)  ( 67.512,  54.651, -12.535)  ( 0.07,  0.14,  0.22)
174:     angle   (-184.159, -249.578, 505.421)  (-184.147, -249.570, 505.426)  ( 0.01,  0.00,  0.00)
174:     torsion ( 13.823,  16.842,  62.209)  ( 13.823,  16.842,  62.209)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -9.154,  -2.355,   6.685)  ( -9.154,  -2.355,   6.685)  ( 0.00,  0.00,  0.00)
174:     electro (  0.418,   0.486,  -0.279)  (  0.418,   0.486,  -0.279)  ( 0.00,  0.00,  0.00)
174: 11       ( 38.790, -27.584, -102.068)  ( 38.833, -27.533, -102.027)  ( 0.11,  0.18,  0.04)
174:     bond    (-120.065, -106.033,  79.009)  (-120.030, -105.994,  79.042)  ( 0.03,  0.04,  0.04)
174:     angle   (150.692,  64.751, -222.033)  (150.700,  64.762, -222.025)  ( 0.01,  0.02,  0.00)
174:     torsion (  7.707,  14.295,  42.537)  (  7.708,  14.295,  42.537)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.455,  -0.597,  -1.581)  (  0.455,  -0.597,  -1.581)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (315.995, -171.132, -664.068)  (316.042, -171.087, -664.013)  ( 0.01,  0.03,  0.01)
174:     bond    ( 87.522, -58.387, -171.625)  ( 87.557, -58.353, -171.583)  ( 0.04,  0.06,  0.02)
174:     angle   (229.808, -113.542, -492.188)  (229.819, -113.531, -492.175)  ( 0.00,  0.01,  0.00)
174:     torsion ( -0.960,   0.838,  -0.805)  ( -0.960,   0.839,  -0.805)  ( 0.04,  0.04,  0.01)
174:     vdw     ( -0.375,  -0.042,   0.550)  ( -0.375,  -0.042,   0.550)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       (222.439, -937.863, 264.573)  (222.468, -937.828, 264.632)  ( 0.01,  0.00,  0.02)
174:     bond    (-46.368, -89.865,  59.959)  (-46.335, -89.841,  60.025)  ( 0.07,  0.03,  0.11)
174:     angle   (258.667, -818.948, 227.732)  (258.669, -818.936, 227.731)  ( 0.00,  0.00,  0.00)
174:     torsion (  9.754, -28.354, -26.126)  (  9.749, -28.354, -26.131)  ( 0.06,  0.00,  0.02)
174:     vdw     (  0.300,   0.067,   3.587)  (  0.300,   0.067,   3.587)  ( 0.00,  0.00,  0.00)
174:     electro (  0.085,  -0.764,  -0.579)  (  0.085,  -0.764,  -0.579)  ( 0.00,  0.00,  0.00)
174: 14       (-757.574, 461.942, 328.683)  (-757.618, 461.994, 328.644)  ( 0.01,  0.01,  0.01)
174:     bond    (  0.586, -45.719,   2.500)  (  0.597, -45.671,   2.514)  ( 0.66,  0.11,  0.57)
174:     angle   (-779.027, 502.723, 295.552)  (-779.044, 502.728, 295.532)  ( 0.00,  0.00,  0.01)
174:     torsion ( 18.184,   6.220,  25.946)  ( 18.147,   6.220,  25.912)  ( 0.20,  0.00,  0.13)
174:     vdw     (  2.459,  -1.220,   3.406)  (  2.459,  -1.220,   3.406)  ( 0.00,  0.00,  0.00)
174:     electro (  0.223,  -0.062,   1.279)  (  0.223,  -0.062,   1.279)  ( 0.00,  0.00,  0.00)
174: 15       ( 96.111, 521.505, -194.221)  ( 96.129, 521.512, -194.178)  ( 0.02,  0.00,  0.02)
174:     bond    (  1.977,   0.804,   3.060)  (  1.996,   0.807,   3.104)  ( 0.92,  0.24,  1.44)
174:     angle   (106.071, 506.715, -199.983)  (106.072, 506.720, -199.984)  ( 0.00,  0.00,  0.00)
174:     torsion (-10.804,  13.214,   3.508)  (-10.804,  13.214,   3.508)  ( 0.00,  0.00,  0.00)
173/223 Test #173: test_ffgaff_1 ....................   Passed    1.19 sec
test 175
        Start 175: test_ffmmff94_1

175: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ffmmff94" "1"
175: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
175: Environment variables: 
175:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
175:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
175: Test timeout computed to be: 1500
174:     vdw     (  0.309,   2.550,  -1.323)  (  0.309,   2.550,  -1.323)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.443,  -1.778,   0.516)  ( -1.443,  -1.778,   0.516)  ( 0.00,  0.00,  0.00)
174: 16       (109.581, 246.406, -35.465)  (109.607, 246.412, -35.461)  ( 0.02,  0.00,  0.01)
174:     bond    ( 69.487, -11.705,  -1.559)  ( 69.514, -11.704,  -1.559)  ( 0.04,  0.01,  0.02)
174:     angle   ( 43.423, 262.571, -35.069)  ( 43.423, 262.575, -35.066)  ( 0.00,  0.00,  0.01)
174:     torsion (  0.063,   0.120,   1.925)  (  0.063,   0.120,   1.925)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -3.393,  -4.580,  -0.761)  ( -3.393,  -4.579,  -0.761)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 17       (174.960, 176.025, -89.335)  (174.964, 176.039, -89.318)  ( 0.00,  0.01,  0.02)
174:     bond    (  0.067,  39.118,  41.485)  (  0.067,  39.131,  41.500)  ( 0.00,  0.03,  0.04)
174:     angle   (176.327, 138.802, -131.168)  (176.330, 138.803, -131.165)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.772,   0.580,  -0.545)  ( -0.772,   0.580,  -0.545)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -0.661,  -2.475,   0.894)  ( -0.661,  -2.474,   0.894)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       (251.139, 191.328, 100.736)  (251.143, 191.342, 100.754)  ( 0.00,  0.01,  0.02)
174:     bond    (  2.181,  42.689, -46.478)  (  2.182,  42.701, -46.463)  ( 0.01,  0.03,  0.03)
174:     angle   (253.610, 151.426, 151.075)  (253.614, 151.427, 151.078)  ( 0.00,  0.00,  0.00)
174:     torsion (  1.057,  -0.932,  -0.807)  (  1.057,  -0.932,  -0.807)  ( 0.01,  0.01,  0.00)
174:     vdw     ( -5.709,  -1.855,  -3.054)  ( -5.709,  -1.855,  -3.054)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       ( 33.317,  57.884,  90.759)  ( 33.324,  57.892,  90.779)  ( 0.02,  0.01,  0.02)
174:     bond    ( 24.015, -31.052,  60.780)  ( 24.018, -31.047,  60.800)  ( 0.01,  0.02,  0.03)
174:     angle   ( 17.910,  79.100,  33.317)  ( 17.912,  79.103,  33.317)  ( 0.01,  0.00,  0.00)
174:     torsion (  2.826,  -0.063,  -1.148)  (  2.826,  -0.063,  -1.148)  ( 0.01,  0.00,  0.01)
174:     vdw     (-11.433,   9.899,  -2.189)  (-11.432,   9.899,  -2.189)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (112.100,  65.862,  54.803)  (112.104,  65.873,  54.824)  ( 0.00,  0.02,  0.04)
174:     bond    (  1.245,  49.479,  76.160)  (  1.245,  49.487,  76.180)  ( 0.03,  0.02,  0.03)
174:     angle   (100.726,  19.307, -14.190)  (100.729,  19.309, -14.189)  ( 0.00,  0.01,  0.01)
174:     torsion (  1.154,   1.529,  -1.012)  (  1.154,   1.529,  -1.012)  ( 0.00,  0.01,  0.00)
174:     vdw     (  8.974,  -4.452,  -6.155)  (  8.975,  -4.452,  -6.155)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (-71.223, -54.362, -54.764)  (-71.217, -54.338, -54.760)  ( 0.01,  0.04,  0.01)
174:     bond    (-26.461, -65.057,  11.205)  (-26.457, -65.034,  11.206)  ( 0.02,  0.04,  0.01)
174:     angle   (-46.537,   7.124, -68.522)  (-46.535,   7.124, -68.519)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.326,   0.906,   4.487)  ( -0.326,   0.906,   4.487)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.100,   2.666,  -1.934)  (  2.101,   2.666,  -1.934)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       (-68.853, -136.453, -261.776)  (-68.828, -136.448, -261.770)  ( 0.04,  0.00,  0.00)
174:     bond    ( 54.419, -15.692, -19.606)  ( 54.442, -15.690, -19.603)  ( 0.04,  0.01,  0.02)
174:     angle   (-123.941, -124.844, -244.293)  (-123.939, -124.841, -244.290)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.075,   0.834,  -0.459)  (  0.075,   0.834,  -0.459)  ( 0.00,  0.01,  0.00)
174:     vdw     (  0.594,   3.249,   2.581)  (  0.594,   3.249,   2.582)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       ( 75.683, -117.846, -173.470)  ( 75.689, -117.836, -173.450)  ( 0.01,  0.01,  0.01)
174:     bond    (-20.746,  33.175, -62.178)  (-20.744,  33.181, -62.158)  ( 0.01,  0.02,  0.03)
174:     angle   ( 97.257, -154.243, -114.792)  ( 97.260, -154.239, -114.792)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.481,  -0.245,   0.030)  ( -0.481,  -0.245,   0.030)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -0.346,   3.467,   3.470)  ( -0.346,   3.467,   3.470)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       (105.149, -66.430, -206.326)  (105.157, -66.407, -206.322)  ( 0.01,  0.03,  0.00)
174:     bond    (-19.670, -43.647,  -7.176)  (-19.665, -43.624,  -7.175)  ( 0.02,  0.05,  0.01)
174:     angle   (126.570, -23.893, -201.648)  (126.573, -23.893, -201.644)  ( 0.00,  0.00,  0.00)
174:     torsion (  0.145,  -0.078,   0.078)  (  0.145,  -0.078,   0.078)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.896,   1.189,   2.419)  ( -1.896,   1.189,   2.419)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       (-44.220,  12.148,  -7.731)  (-44.210,  12.167,  -7.724)  ( 0.02,  0.16,  0.08)
174:     bond    ( -3.943,  -6.899,   3.822)  ( -3.937,  -6.881,   3.827)  ( 0.15,  0.26,  0.14)
174:     angle   (-38.340,  11.268, -19.179)  (-38.337,  11.269, -19.179)  ( 0.01,  0.01,  0.00)
174:     torsion ( -2.978,   6.930,   9.397)  ( -2.978,   6.930,   9.397)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.663,   0.445,  -1.262)  (  1.663,   0.445,  -1.262)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.622,   0.404,  -0.508)  ( -0.622,   0.404,  -0.508)  ( 0.00,  0.00,  0.00)
174: 26       ( 18.457, -48.202,   0.427)  ( 18.480, -48.196,   0.433)  ( 0.12,  0.01,  0.25)
174:     bond    (  3.862,   0.983,   1.869)  (  3.884,   0.985,   1.875)  ( 0.58,  0.14,  0.28)
174:     angle   ( -7.815, -37.552,  35.916)  ( -7.815, -37.548,  35.917)  ( 0.00,  0.01,  0.00)
174:     torsion ( 20.997,  -8.192, -39.206)  ( 20.997,  -8.192, -39.206)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.854,  -2.630,   1.421)  (  0.854,  -2.630,   1.421)  ( 0.00,  0.00,  0.00)
174:     electro (  0.559,  -0.810,   0.426)  (  0.559,  -0.810,   0.426)  ( 0.00,  0.00,  0.00)
174: 27       (-29.738,  40.590,   5.549)  (-29.733,  40.591,   5.577)  ( 0.02,  0.00,  0.50)
174:     bond    ( -1.957,   0.297,  -8.240)  ( -1.955,   0.297,  -8.213)  ( 0.08,  0.00,  0.33)
174:     angle   (-21.621,  52.996,   7.064)  (-21.618,  52.998,   7.064)  ( 0.01,  0.00,  0.00)
174:     torsion (-11.269, -11.104,   2.280)  (-11.269, -11.104,   2.281)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.798,  -0.733,   3.981)  (  3.798,  -0.733,   3.981)  ( 0.00,  0.00,  0.00)
174:     electro (  1.311,  -0.867,   0.464)  (  1.311,  -0.867,   0.464)  ( 0.00,  0.00,  0.00)
174: 28       (-136.891, 245.087, -127.495)  (-136.870, 245.092, -127.486)  ( 0.02,  0.00,  0.01)
174:     bond    ( -4.603,  -0.834,   3.102)  ( -4.584,  -0.834,   3.111)  ( 0.42,  0.05,  0.29)
174:     angle   (-130.627, 233.442, -129.868)  (-130.626, 233.446, -129.868)  ( 0.00,  0.00,  0.00)
174:     torsion ( -3.357,  13.709,  -1.271)  ( -3.357,  13.709,  -1.271)  ( 0.00,  0.00,  0.01)
174:     vdw     (  2.285,  -1.520,   1.199)  (  2.285,  -1.520,   1.199)  ( 0.01,  0.01,  0.01)
174:     electro ( -0.589,   0.290,  -0.657)  ( -0.589,   0.290,  -0.657)  ( 0.00,  0.00,  0.00)
174: 29       ( 62.680,  48.907,  79.728)  ( 62.701,  48.917,  79.731)  ( 0.03,  0.02,  0.00)
174:     bond    ( 82.859,  48.522,  11.969)  ( 82.880,  48.529,  11.970)  ( 0.02,  0.02,  0.01)
174:     angle   (-15.838,   8.500,  75.187)  (-15.837,   8.502,  75.190)  ( 0.01,  0.03,  0.00)
174:     torsion (  1.056,  -1.007,  -3.232)  (  1.056,  -1.007,  -3.232)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -5.397,  -7.108,  -4.197)  ( -5.397,  -7.108,  -4.197)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 30       (-75.889,  12.904, 204.837)  (-75.885,  12.931, 204.841)  ( 0.01,  0.21,  0.00)
174:     bond    ( -7.796,  60.835,  11.399)  ( -7.795,  60.862,  11.401)  ( 0.01,  0.04,  0.01)
174:     angle   (-73.100, -46.077, 195.991)  (-73.097, -46.076, 195.995)  ( 0.00,  0.00,  0.00)
174:     torsion (  2.398,   0.066,   1.288)  (  2.398,   0.066,   1.288)  ( 0.01,  0.00,  0.00)
174:     vdw     (  2.608,  -1.920,  -3.842)  (  2.609,  -1.920,  -3.842)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 31       (-117.716,  90.678, 152.303)  (-117.707,  90.684, 152.325)  ( 0.01,  0.01,  0.01)
174:     bond    ( 27.141, -14.457,  53.610)  ( 27.147, -14.455,  53.631)  ( 0.02,  0.01,  0.04)
174:     angle   (-146.486, 105.766, 102.653)  (-146.482, 105.769, 102.653)  ( 0.00,  0.00,  0.00)
174:     torsion ( -0.366,  -0.637,   0.013)  ( -0.366,  -0.637,   0.013)  ( 0.00,  0.01,  0.00)
174:     vdw     (  1.994,   0.006,  -3.973)  (  1.994,   0.006,  -3.973)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 32       (-50.224,  82.100, 196.063)  (-50.199,  82.107, 196.068)  ( 0.05,  0.01,  0.00)
174:     bond    (-55.346, -19.687,  12.099)  (-55.323, -19.684,  12.101)  ( 0.04,  0.02,  0.01)
174:     angle   (  4.679, 101.096, 185.844)  (  4.679, 101.100, 185.848)  ( 0.01,  0.00,  0.00)
174:     torsion ( -0.331,   0.679,  -0.408)  ( -0.331,   0.679,  -0.408)  ( 0.00,  0.01,  0.00)
174:     vdw     (  0.775,   0.012,  -1.473)  (  0.775,   0.012,  -1.473)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 33       (408.847, -165.313, -419.480)  (408.832, -165.278, -419.494)  ( 0.00,  0.02,  0.00)
174:     bond    ( 49.599, 130.501, -58.048)  ( 49.604, 130.533, -58.041)  ( 0.01,  0.02,  0.01)
174:     angle   (371.322, -295.799, -347.892)  (371.314, -295.795, -347.900)  ( 0.00,  0.00,  0.00)
174:     torsion (-12.248,  -0.841, -12.358)  (-12.260,  -0.841, -12.370)  ( 0.10,  0.00,  0.10)
174:     vdw     ( -1.245,  -1.183,  -0.414)  ( -1.245,  -1.183,  -0.414)  ( 0.00,  0.00,  0.00)
174:     electro (  1.420,   2.008,  -0.769)  (  1.420,   2.008,  -0.769)  ( 0.00,  0.00,  0.00)
174: ok 30 # gradients 
174: ok 31 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       ( 46.073, -53.603,   1.779)  ( 46.121, -53.554,   1.827)  ( 0.11,  0.09,  2.70)
174:     bond    ( 56.033,   2.173,  18.600)  ( 56.070,   2.210,  18.636)  ( 0.06,  1.67,  0.20)
174:     angle   ( -7.353, -49.796,  -8.847)  ( -7.340, -49.783,  -8.836)  ( 0.17,  0.03,  0.13)
174:     torsion (  0.938,   1.611,  -3.622)  (  0.938,   1.611,  -3.621)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -3.546,  -7.591,  -4.351)  ( -3.546,  -7.591,  -4.351)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (141.043, 179.752, 117.469)  (141.110, 179.826, 117.486)  ( 0.05,  0.04,  0.01)
174:     bond    ( 77.454, 158.423,  80.136)  ( 77.508, 158.488,  80.147)  ( 0.07,  0.04,  0.01)
174:     angle   ( 65.044,  21.210,  39.213)  ( 65.057,  21.218,  39.216)  ( 0.02,  0.04,  0.01)
174:     torsion (  0.130,   0.532,  -2.605)  (  0.131,   0.533,  -2.601)  ( 0.00,  0.02,  0.13)
174:     vdw     ( -1.646,  -0.358,   0.422)  ( -1.646,  -0.358,   0.422)  ( 0.01,  0.00,  0.00)
174:     electro (  0.060,  -0.055,   0.302)  (  0.060,  -0.055,   0.302)  ( 0.00,  0.00,  0.00)
174:  3       ( -8.226, -36.206,  -9.656)  ( -8.220, -36.181,  -9.652)  ( 0.07,  0.07,  0.04)
174:     bond    (-11.345, -33.468,   2.727)  (-11.342, -33.443,   2.727)  ( 0.02,  0.07,  0.00)
174:     angle   (  5.420,  -2.848, -12.376)  (  5.423,  -2.848, -12.372)  ( 0.06,  0.01,  0.03)
174:     torsion (  0.012,  -0.008,  -0.042)  (  0.012,  -0.008,  -0.042)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.313,   0.117,   0.035)  ( -2.313,   0.117,   0.035)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (-33.035,  14.265,  14.129)  (-33.023,  14.277,  14.141)  ( 0.04,  0.08,  0.09)
174:     bond    (-20.220,  20.248,  21.069)  (-20.211,  20.257,  21.079)  ( 0.04,  0.04,  0.05)
174:     angle   ( 14.957,  14.055,   0.831)  ( 14.959,  14.057,   0.834)  ( 0.01,  0.02,  0.20)
174:     torsion ( -0.004,  -0.021,   0.016)  ( -0.004,  -0.021,   0.016)  ( 0.00,  0.00,  0.00)
174:     vdw     (-27.768, -20.017,  -7.788)  (-27.767, -20.016,  -7.788)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       ( -9.060,   9.846, -36.923)  ( -9.057,   9.853, -36.898)  ( 0.04,  0.06,  0.07)
174:     bond    ( -3.550,  11.947, -36.602)  ( -3.550,  11.950, -36.577)  ( 0.00,  0.02,  0.07)
174:     angle   ( -5.400,  -2.196,  -0.193)  ( -5.397,  -2.193,  -0.193)  ( 0.06,  0.17,  0.01)
174:     torsion ( -0.006,   0.045,   0.015)  ( -0.006,   0.045,   0.015)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.104,   0.051,  -0.143)  ( -0.104,   0.051,  -0.143)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (-51.563,  32.405,   2.018)  (-51.534,  32.444,   2.022)  ( 0.06,  0.12,  0.19)
174:     bond    (-36.513,  43.141,   9.825)  (-36.486,  43.178,   9.827)  ( 0.07,  0.09,  0.02)
174:     angle   ( -8.815,  -6.178,  -5.581)  ( -8.812,  -6.177,  -5.580)  ( 0.03,  0.02,  0.01)
174:     torsion (  1.264,   1.990,  -4.052)  (  1.264,   1.990,  -4.051)  ( 0.00,  0.01,  0.02)
174:     vdw     ( -7.339,  -7.843,   1.278)  ( -7.339,  -7.842,   1.278)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.160,   1.295,   0.548)  ( -0.160,   1.295,   0.548)  ( 0.00,  0.00,  0.00)
174:  7       ( 18.571, -115.444,  31.887)  ( 18.626, -115.390,  31.906)  ( 0.30,  0.05,  0.06)
174:     bond    (103.923, -105.456,  11.336)  (103.966, -105.413,  11.349)  ( 0.04,  0.04,  0.11)
174:     angle   (-80.727,   4.516, -18.236)  (-80.715,   4.528, -18.234)  ( 0.01,  0.25,  0.01)
174:     torsion ( -7.906, -15.760,  38.484)  ( -7.906, -15.760,  38.488)  ( 0.00,  0.00,  0.01)
174:     vdw     (  3.828,   0.979,   1.088)  (  3.829,   0.979,   1.088)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.547,   0.276,  -0.785)  ( -0.547,   0.276,  -0.785)  ( 0.00,  0.00,  0.00)
174:  8       ( 98.492,  -8.381,  -8.747)  ( 98.510,  -8.365,  -8.743)  ( 0.02,  0.18,  0.04)
174:     bond    ( 57.396, -52.111, -14.395)  ( 57.412, -52.098, -14.394)  ( 0.03,  0.02,  0.01)
174:     angle   ( 15.918,  14.631,  10.536)  ( 15.920,  14.633,  10.537)  ( 0.01,  0.01,  0.01)
174:     torsion (  1.353,   5.680, -15.166)  (  1.353,   5.681, -15.165)  ( 0.00,  0.00,  0.01)
174:     vdw     ( 23.274,  24.518,  10.059)  ( 23.275,  24.518,  10.059)  ( 0.00,  0.00,  0.00)
174:     electro (  0.550,  -1.099,   0.220)  (  0.550,  -1.099,   0.220)  ( 0.00,  0.00,  0.00)
174:  9       (-196.889, -140.673, 168.386)  (-196.834, -140.622, 168.422)  ( 0.03,  0.04,  0.02)
174:     bond    (-117.027, -220.319,  72.628)  (-116.983, -220.279,  72.656)  ( 0.04,  0.02,  0.04)
174:     angle   (-63.685,  98.264, 121.297)  (-63.675,  98.275, 121.304)  ( 0.02,  0.01,  0.01)
174:     torsion (-17.120, -19.452, -26.178)  (-17.120, -19.452, -26.178)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.943,   0.833,   0.640)  (  0.943,   0.833,   0.640)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 10       (232.993, -84.406,   3.415)  (233.034, -84.370,   3.466)  ( 0.02,  0.04,  1.50)
174:     bond    ( 65.211,   0.399, 148.702)  ( 65.240,   0.426, 148.746)  ( 0.04,  1.07,  0.03)
174:     angle   (177.340, -80.008, -125.110)  (177.352, -79.999, -125.103)  ( 0.01,  0.01,  0.01)
174:     torsion (-11.166,  -6.616, -21.328)  (-11.166,  -6.616, -21.328)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.608,   1.819,   1.151)  (  1.608,   1.819,   1.151)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (-254.765, 436.986, -67.608)  (-254.707, 437.012, -67.559)  ( 0.02,  0.01,  0.07)
174:     bond    (-120.639, 134.169,  15.514)  (-120.591, 134.184,  15.547)  ( 0.04,  0.01,  0.21)
174:     angle   (-167.688, 157.180, -45.457)  (-167.679, 157.192, -45.442)  ( 0.01,  0.01,  0.03)
174:     torsion ( 33.886, 145.372, -37.446)  ( 33.886, 145.371, -37.446)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.324,   0.265,  -0.218)  ( -0.324,   0.265,  -0.218)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (-22.088, -22.217, -29.969)  (-22.084, -22.208, -29.948)  ( 0.02,  0.04,  0.07)
174:     bond    ( -6.016, -21.410, -36.088)  ( -6.016, -21.403, -36.068)  ( 0.01,  0.03,  0.06)
174:     angle   (-30.444,  -0.957,   5.643)  (-30.441,  -0.955,   5.644)  ( 0.01,  0.19,  0.01)
174:     torsion (  4.110,  -6.214,   3.002)  (  4.110,  -6.214,   3.002)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 10.262,   6.364,  -2.526)  ( 10.262,   6.364,  -2.526)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 13       (  8.293, -133.079,  62.973)  (  8.310, -133.062,  62.979)  ( 0.21,  0.01,  0.01)
174:     bond    ( 30.933, -138.777,  61.028)  ( 30.949, -138.763,  61.031)  ( 0.05,  0.01,  0.01)
174:     angle   (-18.060,  -2.085, -16.096)  (-18.059,  -2.083, -16.093)  ( 0.01,  0.13,  0.02)
174:     torsion ( -2.188,   6.410,  20.016)  ( -2.188,   6.410,  20.016)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.392,   1.374,  -1.975)  ( -2.392,   1.374,  -1.975)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 14       (148.340, -196.719, -384.370)  (148.378, -196.698, -384.273)  ( 0.03,  0.01,  0.03)
174:     bond    ( 78.126, 114.902, -393.965)  ( 78.154, 114.917, -393.878)  ( 0.04,  0.01,  0.02)
174:     angle   ( 98.473, -242.933,  -3.874)  ( 98.482, -242.926,  -3.865)  ( 0.01,  0.00,  0.23)
174:     torsion (-17.678, -65.927,  16.403)  (-17.677, -65.926,  16.404)  ( 0.00,  0.00,  0.00)
174:     vdw     (-11.821,  -1.517,  -2.824)  (-11.820,  -1.517,  -2.824)  ( 0.00,  0.00,  0.00)
174:     electro (  1.239,  -1.245,  -0.111)  (  1.239,  -1.245,  -0.111)  ( 0.00,  0.00,  0.00)
174: 15       ( 55.040,  12.071,   3.767)  ( 55.044,  12.097,   3.772)  ( 0.01,  0.21,  0.11)
174:     bond    (  0.427,  11.115,   3.347)  (  0.427,  11.140,   3.349)  ( 0.00,  0.23,  0.07)
174:     angle   ( 47.344,  -0.958,  -2.857)  ( 47.348,  -0.958,  -2.855)  ( 0.01,  0.02,  0.07)
174:     torsion (  3.463,  -0.198,   0.216)  (  3.463,  -0.198,   0.216)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.806,   2.112,   3.061)  (  3.806,   2.112,   3.061)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       (-38.258,  87.065, 123.842)  (-38.253,  87.068, 123.903)  ( 0.01,  0.00,  0.05)
174:     bond    (-23.671, -14.717, 113.273)  (-23.669, -14.716, 113.334)  ( 0.01,  0.00,  0.05)
174:     angle   (-29.611,  71.263,   3.070)  (-29.608,  71.265,   3.070)  ( 0.01,  0.00,  0.00)
174:     torsion ( 19.803,  30.719,   8.124)  ( 19.803,  30.720,   8.125)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -4.022,  -0.700,  -0.473)  ( -4.022,  -0.700,  -0.473)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.757,   0.500,  -0.153)  ( -0.757,   0.500,  -0.153)  ( 0.00,  0.00,  0.00)
174: 17       (-124.922, 160.182, -83.462)  (-124.880, 160.221, -83.420)  ( 0.03,  0.02,  0.05)
174:     bond    (-131.449,  83.564, -63.177)  (-131.416,  83.592, -63.143)  ( 0.03,  0.03,  0.05)
174:     angle   (  8.025,  70.698, -17.007)  (  8.034,  70.708, -16.998)  ( 0.11,  0.01,  0.05)
174:     torsion ( -0.745,   6.167,  -3.535)  ( -0.745,   6.167,  -3.535)  ( 0.03,  0.01,  0.01)
174:     vdw     ( -0.753,  -0.247,   0.257)  ( -0.753,  -0.247,   0.257)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       (-94.970, -271.612,  65.923)  (-94.923, -271.564,  65.973)  ( 0.05,  0.02,  0.08)
174:     bond    ( -5.806, -112.325,   7.274)  ( -5.770, -112.289,   7.312)  ( 0.63,  0.03,  0.52)
174:     angle   (-83.027, -71.036,  27.950)  (-83.017, -71.025,  27.962)  ( 0.01,  0.02,  0.04)
174:     torsion ( -3.416, -86.985,  30.001)  ( -3.416, -86.985,  30.001)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -2.720,  -1.265,   0.697)  ( -2.720,  -1.265,   0.697)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       ( 47.998, -93.172, -63.432)  ( 48.047, -93.123, -63.383)  ( 0.10,  0.05,  0.08)
174:     bond    (  3.510,   0.952,  -4.414)  (  3.546,   0.988,  -4.377)  ( 1.03,  3.45,  0.83)
174:     angle   ( 50.607, -90.344, -54.175)  ( 50.619, -90.331, -54.163)  ( 0.02,  0.01,  0.02)
174:     torsion ( -4.961,  -2.567,  -0.636)  ( -4.961,  -2.567,  -0.636)  ( 0.01,  0.01,  0.02)
174:     vdw     ( -1.158,  -1.212,  -4.207)  ( -1.158,  -1.212,  -4.207)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (104.993,  46.842,  70.465)  (105.043,  46.890,  70.514)  ( 0.05,  0.10,  0.07)
174:     bond    ( 17.708,  15.746,  11.019)  ( 17.745,  15.782,  11.055)  ( 0.21,  0.23,  0.33)
174:     angle   ( 78.058,  33.218,  62.190)  ( 78.070,  33.230,  62.202)  ( 0.02,  0.04,  0.02)
174:     torsion (  6.126,  -5.883,  -3.243)  (  6.126,  -5.883,  -3.243)  ( 0.00,  0.01,  0.01)
174:     vdw     (  3.102,   3.761,   0.500)  (  3.102,   3.761,   0.500)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (146.255, 149.536, 151.376)  (146.280, 149.618, 151.417)  ( 0.02,  0.05,  0.03)
174:     bond    ( 40.147, 106.784,  65.656)  ( 40.166, 106.856,  65.689)  ( 0.05,  0.07,  0.05)
174:     angle   ( 96.179,  38.674,  82.359)  ( 96.185,  38.684,  82.366)  ( 0.01,  0.03,  0.01)
174:     torsion ( 15.474,   5.590,  -2.941)  ( 15.475,   5.590,  -2.940)  ( 0.01,  0.00,  0.02)
174:     vdw     ( -4.952,  -1.638,   6.182)  ( -4.952,  -1.638,   6.183)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.594,   0.125,   0.119)  ( -0.594,   0.125,   0.119)  ( 0.00,  0.00,  0.00)
174: 22       ( 14.363,  24.556,  -5.998)  ( 14.367,  24.566,  -5.977)  ( 0.03,  0.04,  0.35)
174:     bond    ( -0.141,   0.953,   1.628)  ( -0.140,   0.960,   1.649)  ( 0.00,  0.67,  1.27)
174:     angle   ( 20.638,  18.771,  -9.175)  ( 20.641,  18.773,  -9.175)  ( 0.01,  0.01,  0.01)
174:     torsion ( -8.277,   7.711,  -5.195)  ( -8.277,   7.711,  -5.195)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.141,  -2.878,   6.744)  (  2.142,  -2.878,   6.745)  ( 0.04,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       (-57.516, -332.950, -98.332)  (-57.497, -332.903, -98.310)  ( 0.03,  0.01,  0.02)
174:     bond    (-19.487, -259.679, -59.892)  (-19.470, -259.639, -59.873)  ( 0.08,  0.02,  0.03)
174:     angle   (-31.577, -68.046, -46.314)  (-31.575, -68.039, -46.312)  ( 0.00,  0.01,  0.00)
174:     torsion ( -9.292,  -1.338,   8.076)  ( -9.291,  -1.338,   8.077)  ( 0.01,  0.00,  0.01)
174:     vdw     (  2.462,  -4.002,  -0.004)  (  2.462,  -4.001,  -0.004)  ( 0.00,  0.00,  0.00)
174:     electro (  0.378,   0.115,  -0.199)  (  0.378,   0.115,  -0.199)  ( 0.00,  0.00,  0.00)
174: 24       ( -1.382, -37.977,   2.868)  ( -1.368, -37.964,   2.876)  ( 0.97,  0.04,  0.30)
174:     bond    ( 15.002, -14.886,  10.387)  ( 15.013, -14.875,  10.392)  ( 0.07,  0.07,  0.05)
174:     angle   (-18.866, -26.610, -10.838)  (-18.864, -26.608, -10.835)  ( 0.01,  0.01,  0.03)
174:     torsion ( -0.221,   0.010,   0.333)  ( -0.221,   0.010,   0.333)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.704,   3.510,   2.986)  (  2.704,   3.510,   2.986)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       (-11.589,   7.655, -36.391)  (-11.578,   7.666, -36.377)  ( 0.09,  0.15,  0.04)
174:     bond    ( 10.819,  11.402, -12.976)  ( 10.827,  11.411, -12.965)  ( 0.07,  0.08,  0.09)
174:     angle   (-25.163,  -7.263, -27.403)  (-25.160,  -7.260, -27.400)  ( 0.01,  0.04,  0.01)
174:     torsion (  0.025,  -0.031,  -0.006)  (  0.025,  -0.031,  -0.006)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.729,   3.546,   3.994)  (  2.729,   3.546,   3.994)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 26       (-35.365,  12.544,   1.991)  (-35.358,  12.557,   2.007)  ( 0.02,  0.10,  0.80)
174:     bond    ( -7.469,  12.487,  14.722)  ( -7.466,  12.497,  14.736)  ( 0.05,  0.08,  0.10)
174:     angle   (-36.168,  -7.559, -11.915)  (-36.165,  -7.556, -11.913)  ( 0.01,  0.03,  0.02)
174:     torsion ( -0.050,   0.462,  -0.417)  ( -0.049,   0.462,  -0.417)  ( 0.00,  0.00,  0.00)
174:     vdw     (  8.322,   7.154,  -0.399)  (  8.322,   7.154,  -0.399)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 27       (  4.763,  -9.346,  37.404)  (  4.777,  -9.332,  37.411)  ( 0.31,  0.15,  0.02)
174:     bond    ( 14.702, -14.220,   7.906)  ( 14.714, -14.208,   7.909)  ( 0.08,  0.08,  0.04)
174:     angle   (-10.743,   9.005,  36.160)  (-10.741,   9.007,  36.163)  ( 0.02,  0.02,  0.01)
174:     torsion ( -1.890,  -1.759,   0.357)  ( -1.890,  -1.759,   0.357)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.694,  -2.372,  -7.018)  (  2.694,  -2.372,  -7.018)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 28       (-42.977,   6.178,   6.639)  (-42.962,   6.188,   6.648)  ( 0.04,  0.17,  0.14)
174:     bond    (-16.447, -12.459, -11.230)  (-16.434, -12.451, -11.224)  ( 0.08,  0.06,  0.06)
174:     angle   (-29.289,  19.160,  21.622)  (-29.287,  19.162,  21.625)  ( 0.01,  0.01,  0.01)
174:     torsion ( -0.328,   1.908,  -1.636)  ( -0.328,   1.908,  -1.636)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.087,  -2.431,  -2.117)  (  3.087,  -2.431,  -2.117)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 29       ( -7.405,  39.134,  -1.182)  ( -7.395,  39.145,  -1.167)  ( 0.13,  0.03,  1.25)
174:     bond    (  8.732,  10.230, -12.436)  (  8.739,  10.238, -12.423)  ( 0.07,  0.08,  0.10)
174:     angle   (-18.082,  33.209,  14.652)  (-18.079,  33.212,  14.654)  ( 0.02,  0.01,  0.01)
174:     torsion (  1.576,  -0.176,   0.963)  (  1.576,  -0.176,   0.963)  ( 0.01,  0.00,  0.00)
174:     vdw     (  0.370,  -4.129,  -4.362)  (  0.370,  -4.129,  -4.361)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 30       ( -0.063, 275.793,  24.986)  ( -0.057, 275.833,  24.991)  ( 0.04,  0.01,  0.02)
174:     bond    (-61.451, 258.293, -33.425)  (-61.448, 258.332, -33.423)  ( 0.01,  0.02,  0.01)
174:     angle   ( 35.883,  14.142,  43.329)  ( 35.884,  14.142,  43.330)  ( 0.00,  0.00,  0.00)
174:     torsion (  8.079,   1.013,  -7.023)  (  8.080,   1.013,  -7.022)  ( 0.01,  0.00,  0.01)
174:     vdw     ( 20.022,   2.547,  24.873)  ( 20.022,   2.547,  24.873)  ( 0.00,  0.00,  0.00)
174:     electro ( -2.595,  -0.201,  -2.767)  ( -2.595,  -0.201,  -2.767)  ( 0.00,  0.00,  0.00)
174: 31       (-77.921,  40.028, -66.070)  (-77.916,  40.077, -66.053)  ( 0.01,  0.12,  0.03)
174:     bond    (  0.512,   2.123,   1.160)  (  0.515,   2.172,   1.174)  ( 0.14,  2.27,  1.22)
174:     angle   (-49.362,  40.654, -53.541)  (-49.360,  40.655, -53.539)  ( 0.00,  0.00,  0.00)
174:     torsion (-10.996,  -2.287,   9.050)  (-10.996,  -2.287,   9.050)  ( 0.00,  0.00,  0.00)
174:     vdw     (-20.501,  -0.752, -25.565)  (-20.501,  -0.752, -25.565)  ( 0.00,  0.00,  0.00)
174:     electro (  2.426,   0.290,   2.826)  (  2.426,   0.290,   2.826)  ( 0.00,  0.00,  0.00)
174: ok 32 # gradients 
174: ok 33 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (-115.635,  21.736,   0.189)  (-115.570,  21.769,   0.261)  ( 0.06,  0.15,  1.36)
174:     bond    (-155.155,  29.198,   0.313)  (-155.106,  29.225,   0.374)  ( 0.03,  0.09,  1.92)
174:     angle   ( 44.402,  -8.380,  -0.123)  ( 44.417,  -8.375,  -0.113)  ( 0.03,  0.06,  0.12)
174:     torsion (  0.002,   0.003,  -0.004)  (  0.002,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -4.883,   0.914,   0.003)  ( -4.883,   0.914,   0.003)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       ( 89.152,  70.487, 132.498)  ( 89.246,  70.510, 132.551)  ( 0.11,  0.03,  0.04)
174:     bond    (124.343,  54.798, 117.293)  (124.423,  54.815, 117.335)  ( 0.06,  0.03,  0.04)
174:     angle   (-29.725,  15.057,  14.214)  (-29.711,  15.062,  14.224)  ( 0.05,  0.03,  0.07)
174:     torsion ( -0.151,  -0.795,   0.529)  ( -0.151,  -0.793,   0.530)  ( 0.00,  0.15,  0.05)
174:     vdw     ( -5.315,   1.427,   0.461)  ( -5.315,   1.427,   0.461)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       (-39.154, -178.592, -284.443)  (-39.068, -178.560, -284.388)  ( 0.22,  0.02,  0.02)
174:     bond    (-12.756, -187.831, -286.760)  (-12.680, -187.806, -286.714)  ( 0.59,  0.01,  0.02)
174:     angle   (-31.273,   4.375,   0.135)  (-31.263,   4.379,   0.144)  ( 0.03,  0.11,  0.12)
174:     torsion (  0.549,   2.943,  -1.961)  (  0.549,   2.945,  -1.961)  ( 0.00,  0.06,  0.04)
174:     vdw     (  4.325,   1.921,   4.143)  (  4.325,   1.921,   4.143)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (-335.251,  62.938,   0.691)  (-335.166,  62.974,   0.761)  ( 0.03,  0.06,  4.83)
174:     bond    (-352.029,  66.166,   0.717)  (-351.957,  66.195,   0.779)  ( 0.02,  0.04,  4.44)
174:     angle   ( 14.375,  -2.725,  -0.053)  ( 14.387,  -2.720,  -0.046)  ( 0.08,  0.18,  0.04)
174:     torsion ( -0.006,  -0.053,   0.030)  ( -0.006,  -0.051,   0.031)  ( 0.00,  0.01,  0.00)
174:     vdw     (  2.409,  -0.450,  -0.003)  (  2.409,  -0.450,  -0.003)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       ( 27.195, 180.390, 283.496)  ( 27.286, 180.416, 283.552)  ( 0.33,  0.01,  0.02)
174:     bond    ( 55.263, 179.325, 285.907)  ( 55.344, 179.345, 285.953)  ( 0.15,  0.01,  0.02)
174:     angle   (-30.880,   7.204,  -0.115)  (-30.869,   7.209,  -0.105)  ( 0.03,  0.07,  0.11)
174:     torsion ( -0.520,  -2.785,   1.852)  ( -0.520,  -2.783,   1.852)  ( 0.00,  0.06,  0.04)
174:     vdw     (  3.332,  -3.355,  -4.148)  (  3.332,  -3.355,  -4.148)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       ( 58.413, -98.539, -133.073)  ( 58.501, -98.509, -133.020)  ( 0.15,  0.03,  0.04)
174:     bond    ( 96.824, -96.564, -117.957)  ( 96.897, -96.541, -117.916)  ( 0.08,  0.02,  0.04)
174:     angle   (-33.075,  -3.298, -14.167)  (-33.061,  -3.294, -14.157)  ( 0.04,  0.14,  0.07)
174:     torsion (  0.134,   0.729,  -0.489)  (  0.134,   0.731,  -0.488)  ( 0.00,  0.14,  0.04)
174:     vdw     ( -5.469,   0.595,  -0.460)  ( -5.469,   0.595,  -0.460)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       (101.790, -18.208,  -0.641)  (101.875, -18.136,  -0.611)  ( 0.08,  0.40,  1.91)
174:     bond    (101.062, -18.055,  -0.655)  (101.135, -17.991,  -0.631)  ( 0.07,  0.35,  1.52)
174:     angle   (  0.148,  -0.048,   0.023)  (  0.161,  -0.040,   0.028)  ( 0.18,  0.04,  0.01)
174:     torsion ( -0.000,  -0.002,   0.001)  ( -0.000,  -0.002,   0.002)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.581,  -0.104,  -0.010)  (  0.581,  -0.103,  -0.010)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (-138.785, -13.091,  23.815)  (-138.689, -13.035,  23.838)  ( 0.07,  0.42,  0.10)
174:     bond    (-140.778,   3.720,  13.499)  (-140.696,   3.765,  13.516)  ( 0.06,  1.22,  0.13)
174:     angle   (  6.594, -24.351,  13.745)  (  6.606, -24.342,  13.748)  ( 0.19,  0.04,  0.02)
174:     torsion (  0.047,   0.249,   0.418)  (  0.047,   0.250,   0.420)  ( 0.00,  0.02,  0.09)
174:     vdw     ( -4.485,   7.790,  -4.162)  ( -4.485,   7.790,  -4.162)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.162,  -0.498,   0.315)  ( -0.162,  -0.498,   0.315)  ( 0.00,  0.00,  0.00)
174:  9       (299.960, -16.422, -23.891)  (300.048, -16.362, -23.869)  ( 0.03,  0.36,  0.09)
174:     bond    (133.911, -45.712,  12.147)  (133.988, -45.663,  12.163)  ( 0.06,  0.11,  0.13)
174:     angle   (160.936,  23.671, -32.124)  (160.948,  23.681, -32.121)  ( 0.01,  0.04,  0.01)
174:     torsion ( -0.001,  -0.006,  -0.011)  ( -0.001,  -0.006,  -0.009)  ( 0.00,  0.00,  0.00)
174:     vdw     (  5.102,   6.209,  -4.249)  (  5.102,   6.209,  -4.249)  ( 0.00,  0.00,  0.00)
174:     electro (  0.012,  -0.584,   0.346)  (  0.012,  -0.584,   0.346)  ( 0.00,  0.00,  0.00)
174: 10       (-233.469,  43.737,   0.095)  (-233.425,  43.797,   0.119)  ( 0.02,  0.14,  0.23)
174:     bond    (-36.748,   6.966,  -0.083)  (-36.717,   7.023,  -0.062)  ( 0.08,  0.82,  0.18)
174:     angle   (-198.893,  37.174,   0.174)  (-198.881,  37.176,   0.175)  ( 0.01,  0.01,  0.02)
174:     torsion (  0.001,   0.004,   0.006)  (  0.001,   0.004,   0.007)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.172,  -0.406,  -0.002)  (  2.172,  -0.406,  -0.002)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 11       (283.908, -93.274,  23.554)  (284.004, -93.222,  23.576)  ( 0.03,  0.06,  0.09)
174:     bond    (139.738,  -5.983, -12.161)  (139.823,  -5.943, -12.145)  ( 0.06,  0.68,  0.13)
174:     angle   (141.433, -80.187,  31.834)  (141.444, -80.176,  31.838)  ( 0.01,  0.01,  0.01)
174:     torsion ( -0.002,  -0.009,  -0.016)  ( -0.002,  -0.009,  -0.014)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.517,  -7.635,   4.243)  (  2.517,  -7.635,   4.243)  ( 0.00,  0.00,  0.00)
174:     electro (  0.221,   0.540,  -0.346)  (  0.221,   0.540,  -0.346)  ( 0.00,  0.00,  0.00)
174: 12       (-122.480,  60.874, -23.086)  (-122.391,  60.937, -23.063)  ( 0.07,  0.10,  0.10)
174:     bond    (-130.580,  46.096, -12.840)  (-130.504,  46.148, -12.823)  ( 0.06,  0.11,  0.14)
174:     angle   ( 15.105,  20.142, -13.695)  ( 15.117,  20.151, -13.692)  ( 0.08,  0.05,  0.02)
174:     torsion ( -0.045,  -0.242,  -0.407)  ( -0.045,  -0.241,  -0.405)  ( 0.00,  0.02,  0.09)
174:     vdw     ( -6.987,  -5.645,   4.172)  ( -6.987,  -5.645,   4.172)  ( 0.00,  0.00,  0.00)
174:     electro (  0.029,   0.523,  -0.315)  (  0.029,   0.523,  -0.315)  ( 0.00,  0.00,  0.00)
174: 13       ( -9.925,  12.224,  -6.238)  ( -9.911,  12.239,  -6.231)  ( 0.14,  0.12,  0.11)
174:     bond    (  4.051,   4.454,  -3.122)  (  4.061,   4.467,  -3.116)  ( 0.26,  0.28,  0.20)
174:     angle   (-11.210,   7.819,  -3.395)  (-11.207,   7.821,  -3.395)  ( 0.03,  0.02,  0.01)
174:     torsion ( -0.006,  -0.030,  -0.051)  ( -0.006,  -0.030,  -0.050)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.943,  -0.290,   0.399)  ( -1.943,  -0.290,   0.399)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.817,   0.271,  -0.069)  ( -0.817,   0.271,  -0.069)  ( 0.00,  0.00,  0.00)
174: 14       (-58.101,  -7.908,  11.227)  (-58.092,  -7.888,  11.233)  ( 0.02,  0.25,  0.06)
174:     bond    ( -5.451,  10.771,  -5.813)  ( -5.446,  10.790,  -5.808)  ( 0.09,  0.17,  0.09)
174:     angle   (-55.786, -18.776,  17.425)  (-55.782, -18.776,  17.426)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.002,   0.013,   0.021)  (  0.002,   0.013,   0.022)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.316,   0.076,  -0.310)  (  2.316,   0.076,  -0.310)  ( 0.00,  0.00,  0.00)
174:     electro (  0.817,   0.009,  -0.097)  (  0.817,   0.009,  -0.097)  ( 0.00,  0.00,  0.00)
174: 15       ( 76.256,  52.092, 107.712)  ( 76.305,  52.140, 107.761)  ( 0.06,  0.09,  0.05)
174:     bond    ( 35.609,  26.240,  49.457)  ( 35.644,  26.277,  49.494)  ( 0.10,  0.14,  0.07)
174:     angle   ( 39.337,  26.345,  57.041)  ( 39.351,  26.356,  57.052)  ( 0.03,  0.04,  0.02)
174:     torsion ( -0.132,  -0.717,   0.478)  ( -0.132,  -0.716,   0.478)  ( 0.00,  0.02,  0.01)
174:     vdw     (  1.442,   0.223,   0.737)  (  1.442,   0.223,   0.737)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       ( 44.286,  -8.269,   0.021)  ( 44.306,  -8.267,   0.025)  ( 0.05,  0.03,  0.01)
174:     bond    ( 44.465,  -8.332,  -0.027)  ( 44.486,  -8.331,  -0.027)  ( 0.05,  0.01,  0.00)
174:     angle   (  0.006,   0.030,   0.046)  (  0.006,   0.032,   0.049)  ( 0.00,  0.00,  0.02)
174:     torsion ( -0.001,  -0.003,   0.002)  ( -0.000,  -0.003,   0.002)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.185,   0.035,   0.000)  ( -0.185,   0.035,   0.001)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 17       ( 11.070, -26.992, -37.858)  ( 11.079, -26.985, -37.845)  ( 0.08,  0.03,  0.03)
174:     bond    ( 20.382, -27.254, -35.045)  ( 20.386, -27.248, -35.034)  ( 0.02,  0.02,  0.03)
174:     angle   (  9.567,   1.260,   4.588)  (  9.572,   1.261,   4.589)  ( 0.05,  0.01,  0.02)
174:     torsion ( -0.026,  -0.136,   0.091)  ( -0.026,  -0.136,   0.091)  ( 0.00,  0.00,  0.00)
174:     vdw     (-18.853,  -0.862,  -7.491)  (-18.852,  -0.862,  -7.491)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       ( 51.986, -76.293, -107.219)  ( 52.034, -76.245, -107.170)  ( 0.09,  0.06,  0.05)
174:     bond    ( 23.428, -37.115, -49.146)  ( 23.463, -37.078, -49.109)  ( 0.15,  0.10,  0.08)
174:     angle   ( 27.171, -39.113, -56.891)  ( 27.184, -39.102, -56.879)  ( 0.05,  0.03,  0.02)
174:     torsion (  0.125,   0.664,  -0.443)  (  0.125,   0.664,  -0.443)  ( 0.00,  0.02,  0.01)
174:     vdw     (  1.262,  -0.729,  -0.739)  (  1.262,  -0.729,  -0.739)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       ( 20.224,  21.241,  37.963)  ( 20.235,  21.245,  37.975)  ( 0.06,  0.02,  0.03)
174:     bond    ( 29.019,  18.087,  35.138)  ( 29.026,  18.090,  35.149)  ( 0.03,  0.02,  0.03)
174:     angle   (  8.429,  -4.622,  -4.586)  (  8.432,  -4.621,  -4.585)  ( 0.04,  0.02,  0.02)
174:     torsion (  0.025,   0.137,  -0.092)  (  0.025,   0.138,  -0.092)  ( 0.00,  0.00,  0.00)
174:     vdw     (-17.249,   7.639,   7.504)  (-17.249,   7.639,   7.504)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (-13.482,  -7.871,   6.229)  (-13.474,  -7.850,   6.236)  ( 0.06,  0.26,  0.11)
174:     bond    (  2.196,  -5.711,   3.136)  (  2.199,  -5.691,   3.142)  ( 0.14,  0.35,  0.19)
174:     angle   (-13.116,  -3.204,   3.373)  (-13.111,  -3.203,   3.373)  ( 0.04,  0.01,  0.01)
174:     torsion (  0.005,   0.027,   0.046)  (  0.005,   0.027,   0.046)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.707,   0.973,  -0.396)  ( -1.707,   0.973,  -0.396)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.859,   0.043,   0.071)  ( -0.859,   0.043,   0.071)  ( 0.00,  0.00,  0.00)
174: 21       (-51.233,  28.537, -11.269)  (-51.218,  28.550, -11.263)  ( 0.03,  0.05,  0.06)
174:     bond    ( -8.828,  -7.962,   5.713)  ( -8.815,  -7.951,   5.718)  ( 0.15,  0.13,  0.10)
174:     angle   (-45.295,  37.720, -17.368)  (-45.293,  37.722, -17.368)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.002,  -0.009,  -0.016)  ( -0.002,  -0.009,  -0.015)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.132,  -0.908,   0.306)  (  2.132,  -0.908,   0.306)  ( 0.00,  0.00,  0.00)
174:     electro (  0.759,  -0.304,   0.096)  (  0.759,  -0.304,   0.096)  ( 0.00,  0.00,  0.00)
174: 22       ( 24.108, -32.847,  -9.947)  ( 24.118, -32.831,  -9.938)  ( 0.04,  0.05,  0.10)
174:     bond    ( 14.454, -21.636,  14.894)  ( 14.460, -21.622,  14.901)  ( 0.04,  0.07,  0.05)
174:     angle   (  9.873, -11.881, -26.823)  (  9.876, -11.879, -26.820)  ( 0.03,  0.01,  0.01)
174:     torsion ( -0.023,  -0.003,   0.019)  ( -0.023,  -0.003,   0.019)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.195,   0.672,   1.962)  ( -0.195,   0.672,   1.962)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       ( 27.579,   2.612, -28.301)  ( 27.594,   2.626, -28.294)  ( 0.05,  0.53,  0.02)
174:     bond    ( 19.888,  19.685, -11.092)  ( 19.900,  19.697, -11.088)  ( 0.06,  0.06,  0.03)
174:     angle   (  7.749, -17.983, -18.033)  (  7.752, -17.981, -18.030)  ( 0.03,  0.01,  0.02)
174:     torsion (  0.020,  -0.022,  -0.003)  (  0.020,  -0.022,  -0.003)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.078,   0.933,   0.827)  ( -0.078,   0.933,   0.827)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       (-28.691,   9.540,   6.093)  (-28.680,   9.549,   6.107)  ( 0.04,  0.10,  0.23)
174:     bond    (-16.080,  13.930,  19.010)  (-16.071,  13.937,  19.022)  ( 0.05,  0.05,  0.06)
174:     angle   (-34.103,  -6.913, -23.751)  (-34.101,  -6.910, -23.749)  ( 0.01,  0.04,  0.01)
174:     torsion (  0.003,   0.026,  -0.016)  (  0.003,   0.026,  -0.016)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 21.489,   2.497,  10.850)  ( 21.489,   2.497,  10.850)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       ( 34.410,  22.071,   9.571)  ( 34.426,  22.081,   9.580)  ( 0.05,  0.04,  0.10)
174:     bond    ( 21.393,  15.082, -15.096)  ( 21.407,  15.089, -15.089)  ( 0.06,  0.05,  0.05)
174:     angle   ( 13.456,   7.526,  26.619)  ( 13.458,   7.528,  26.622)  ( 0.02,  0.04,  0.01)
174:     torsion ( -0.019,   0.010,  -0.017)  ( -0.019,   0.010,  -0.017)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.421,  -0.547,  -1.936)  ( -0.421,  -0.546,  -1.936)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 26       (-30.400,   1.530,  -6.272)  (-30.384,   1.535,  -6.258)  ( 0.05,  0.35,  0.23)
174:     bond    (-20.249,  -7.300, -19.136)  (-20.236,  -7.298, -19.124)  ( 0.07,  0.02,  0.06)
174:     angle   (-29.255,  18.971,  23.710)  (-29.253,  18.975,  23.712)  ( 0.01,  0.02,  0.01)
174:     torsion ( -0.006,  -0.023,   0.014)  ( -0.006,  -0.023,   0.014)  ( 0.00,  0.00,  0.00)
174:     vdw     ( 19.109, -10.119, -10.861)  ( 19.110, -10.119, -10.861)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 27       ( 25.004, -12.499,  28.368)  ( 25.011, -12.478,  28.375)  ( 0.03,  0.17,  0.02)
174:     bond    ( 11.583, -25.719,  11.135)  ( 11.587, -25.699,  11.138)  ( 0.03,  0.08,  0.03)
174:     angle   ( 13.816,  14.065,  18.075)  ( 13.820,  14.066,  18.078)  ( 0.02,  0.01,  0.02)
174:     torsion (  0.024,   0.012,   0.003)  (  0.024,   0.012,   0.003)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.420,  -0.856,  -0.844)  ( -0.420,  -0.856,  -0.844)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 34 # gradients 
174: ok 35 # energy 
174: 
174: V A L I D A T E   G R A D I E N T S
174: 
174: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
174: ----------------------------------------------------------------------------------------
174:  1       (1369.371, 1195.430, 1995.217)  (1369.423, 1195.454, 1995.268)  ( 0.00,  0.00,  0.00)
174:     bond    (1461.461, 1275.601, 2025.255)  (1461.505, 1275.614, 2025.297)  ( 0.00,  0.00,  0.00)
174:     angle   (-94.800, -75.151, -31.579)  (-94.792, -75.141, -31.571)  ( 0.01,  0.01,  0.03)
174:     torsion (  2.079,  -6.467,   0.470)  (  2.079,  -6.467,   0.470)  ( 0.00,  0.01,  0.00)
174:     vdw     (  0.631,   1.447,   1.072)  (  0.631,   1.447,   1.072)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  2       (-181.675, 105.621, 179.573)  (-181.622, 105.667, 179.622)  ( 0.03,  0.04,  0.03)
174:     bond    (-148.144,  60.423, 102.210)  (-148.102,  60.459, 102.246)  ( 0.03,  0.06,  0.04)
174:     angle   (-28.350,  45.228,  69.391)  (-28.340,  45.238,  69.404)  ( 0.04,  0.02,  0.02)
174:     torsion ( -1.446,   1.438,   1.670)  ( -1.446,   1.438,   1.670)  ( 0.02,  0.03,  0.02)
174:     vdw     ( -3.735,  -1.468,   6.302)  ( -3.735,  -1.468,   6.302)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  3       (-132.371, -161.041, 125.197)  (-132.323, -160.993, 125.249)  ( 0.04,  0.03,  0.04)
174:     bond    (-94.820, -119.067, 105.652)  (-94.784, -119.030, 105.693)  ( 0.04,  0.03,  0.04)
174:     angle   (-31.282, -40.683,  10.602)  (-31.271, -40.672,  10.611)  ( 0.03,  0.03,  0.09)
174:     torsion ( -1.488,  -1.816,   0.312)  ( -1.488,  -1.815,   0.312)  ( 0.03,  0.03,  0.01)
174:     vdw     ( -4.780,   0.524,   8.632)  ( -4.780,   0.524,   8.632)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  4       (-15.902, 115.758,  12.897)  (-15.857, 115.778,  12.945)  ( 0.29,  0.02,  0.38)
174:     bond    (-28.066,  85.668,  -9.634)  (-28.027,  85.679,  -9.591)  ( 0.14,  0.01,  0.44)
174:     angle   ( 14.028,  26.175,  23.400)  ( 14.034,  26.182,  23.406)  ( 0.04,  0.03,  0.03)
174:     torsion ( -1.256,   4.948,   0.115)  ( -1.256,   4.948,   0.116)  ( 0.02,  0.01,  0.00)
174:     vdw     ( -0.608,  -1.032,  -0.985)  ( -0.608,  -1.032,  -0.985)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  5       (176.944, -86.116, -142.995)  (176.997, -86.070, -142.947)  ( 0.03,  0.05,  0.03)
174:     bond    (141.110, -61.763, -102.053)  (141.152, -61.727, -102.017)  ( 0.03,  0.06,  0.04)
174:     angle   ( 26.086, -27.000, -36.336)  ( 26.097, -26.991, -36.325)  ( 0.04,  0.03,  0.03)
174:     torsion (  0.894,  -1.212,  -1.769)  (  0.894,  -1.211,  -1.768)  ( 0.03,  0.04,  0.02)
174:     vdw     (  8.855,   3.859,  -2.837)  (  8.855,   3.859,  -2.837)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  6       (157.851, 189.819, -117.633)  (157.899, 189.868, -117.581)  ( 0.03,  0.03,  0.04)
174:     bond    ( 96.212, 121.860, -105.322)  ( 96.248, 121.897, -105.281)  ( 0.04,  0.03,  0.04)
174:     angle   ( 52.701,  64.745,  -8.770)  ( 52.712,  64.757,  -8.760)  ( 0.02,  0.02,  0.11)
174:     torsion (  1.075,   2.443,  -0.727)  (  1.075,   2.444,  -0.727)  ( 0.04,  0.02,  0.02)
174:     vdw     (  7.863,   0.770,  -2.813)  (  7.863,   0.770,  -2.813)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  7       (-133.686, -119.156, -187.980)  (-133.636, -119.106, -187.928)  ( 0.04,  0.04,  0.03)
174:     bond    (-85.996, -97.284, -126.688)  (-85.958, -97.245, -126.649)  ( 0.04,  0.04,  0.03)
174:     angle   (-41.435, -21.293, -53.864)  (-41.424, -21.281, -53.852)  ( 0.03,  0.05,  0.02)
174:     torsion ( -0.017,   0.011,   0.003)  ( -0.017,   0.011,   0.003)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -6.238,  -0.590,  -7.431)  ( -6.238,  -0.590,  -7.430)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:  8       (1573.982, -2052.237, -2187.666)  (1574.030, -2052.177, -2187.611)  ( 0.00,  0.00,  0.00)
174:     bond    (1548.366, -2060.217, -2183.958)  (1548.400, -2060.170, -2183.914)  ( 0.00,  0.00,  0.00)
174:     angle   ( 19.787,   7.107,  -6.660)  ( 19.801,   7.120,  -6.649)  ( 0.07,  0.18,  0.17)
174:     torsion ( -1.000,   2.025,  -1.521)  ( -1.000,   2.025,  -1.521)  ( 0.00,  0.00,  0.02)
174:     vdw     (  2.318,   1.078,   4.865)  (  2.318,   1.078,   4.865)  ( 0.01,  0.01,  0.00)
174:     electro (  4.512,  -2.230,  -0.392)  (  4.512,  -2.230,  -0.392)  ( 0.00,  0.00,  0.00)
174:  9       ( -7.983, -41.507, -35.682)  ( -7.977, -41.500, -35.661)  ( 0.07,  0.02,  0.06)
174:     bond    (  4.870,   5.245, -14.381)  (  4.872,   5.247, -14.361)  ( 0.05,  0.05,  0.14)
174:     angle   (-15.868, -48.162, -22.980)  (-15.864, -48.158, -22.979)  ( 0.02,  0.01,  0.00)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  3.787,   0.954,   0.884)  (  3.787,   0.954,   0.884)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.772,   0.456,   0.795)  ( -0.772,   0.456,   0.795)  ( 0.00,  0.00,  0.00)
174: 10       ( 27.594, -14.399, -46.283)  ( 27.599, -14.375, -46.279)  ( 0.02,  0.17,  0.01)
174:     bond    (  1.010, -10.223,   1.585)  (  1.011, -10.199,   1.586)  ( 0.03,  0.24,  0.04)
174:     angle   ( 30.378,  -4.575, -48.799)  ( 30.382,  -4.575, -48.795)  ( 0.01,  0.00,  0.01)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -1.850,   0.228,   1.522)  ( -1.850,   0.228,   1.522)  ( 0.01,  0.00,  0.01)
174:     electro ( -1.944,   0.171,  -0.592)  ( -1.944,   0.171,  -0.592)  ( 0.00,  0.00,  0.00)
174: 11       (-2877.194, 780.290, 282.207)  (-2877.127, 780.387, 282.225)  ( 0.00,  0.01,  0.01)
174:     bond    (-2944.764, 766.776, 249.933)  (-2944.709, 766.863, 249.945)  ( 0.00,  0.01,  0.01)
174:     angle   ( 71.107,  12.851,  27.872)  ( 71.119,  12.861,  27.874)  ( 0.02,  0.07,  0.01)
174:     torsion (  0.047,  -0.634,   2.789)  (  0.047,  -0.634,   2.791)  ( 0.00,  0.01,  0.08)
174:     vdw     ( -3.584,   1.297,   1.614)  ( -3.584,   1.297,   1.614)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 12       (-70.944, -46.432, -11.513)  (-70.859, -46.350, -11.506)  ( 0.12,  0.18,  0.07)
174:     bond    (-73.273, -87.425, -19.694)  (-73.200, -87.355, -19.690)  ( 0.10,  0.08,  0.02)
174:     angle   (  8.092,  43.087,  10.723)  (  8.105,  43.099,  10.723)  ( 0.15,  0.03,  0.01)
174:     torsion ( -0.013,   0.501,  -2.331)  ( -0.013,   0.501,  -2.328)  ( 0.00,  0.01,  0.13)
174:     vdw     ( -4.596,  -4.209,  -1.153)  ( -4.596,  -4.209,  -1.153)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.154,   1.614,   0.942)  ( -1.154,   1.614,   0.942)  ( 0.00,  0.00,  0.00)
174: 13       (103.292, -167.482, -50.570)  (103.394, -167.413, -50.562)  ( 0.10,  0.04,  0.02)
174:     bond    (101.082, -18.155,  -7.464)  (101.171, -18.100,  -7.460)  ( 0.09,  0.30,  0.06)
174:     angle   ( 10.732, -148.703, -38.696)  ( 10.745, -148.689, -38.695)  ( 0.12,  0.01,  0.00)
174:     torsion ( -0.027,   0.546,  -2.011)  ( -0.027,   0.546,  -2.008)  ( 0.00,  0.01,  0.15)
174:     vdw     ( -8.577,  -1.464,  -3.092)  ( -8.577,  -1.463,  -3.092)  ( 0.00,  0.02,  0.00)
174:     electro (  0.082,   0.294,   0.693)  (  0.082,   0.294,   0.693)  ( 0.00,  0.00,  0.00)
174: 14       (-340.783, 244.004, 103.856)  (-340.702, 244.105, 103.865)  ( 0.02,  0.04,  0.01)
174:     bond    (-242.685, 169.679,  51.566)  (-242.620, 169.756,  51.571)  ( 0.03,  0.05,  0.01)
174:     angle   (-90.118,  80.283,  38.870)  (-90.102,  80.306,  38.871)  ( 0.02,  0.03,  0.00)
174:     torsion (  0.878,  -3.052,  21.109)  (  0.878,  -3.052,  21.112)  ( 0.00,  0.01,  0.02)
174:     vdw     ( -8.858,  -2.905,  -7.690)  ( -8.858,  -2.905,  -7.689)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 15       (-73.315, -132.854, -48.254)  (-73.221, -132.766, -48.244)  ( 0.13,  0.07,  0.02)
174:     bond    (-57.772, -173.544, -48.927)  (-57.694, -173.468, -48.921)  ( 0.14,  0.04,  0.01)
174:     angle   (-12.260,  33.289,  10.647)  (-12.246,  33.300,  10.648)  ( 0.12,  0.03,  0.01)
174:     torsion ( -0.061,   1.973,  -7.707)  ( -0.061,   1.974,  -7.705)  ( 0.00,  0.01,  0.04)
174:     vdw     ( -3.222,   5.428,  -2.267)  ( -3.221,   5.428,  -2.267)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 16       ( 35.176,  96.616,  32.145)  ( 35.277,  96.684,  32.153)  ( 0.28,  0.07,  0.03)
174:     bond    (107.267,  64.420,  20.261)  (107.355,  64.475,  20.266)  ( 0.08,  0.09,  0.02)
174:     angle   (-66.999,  27.788,   6.767)  (-66.988,  27.800,   6.768)  ( 0.02,  0.04,  0.01)
174:     torsion (  0.086,  -0.719,   3.121)  (  0.086,  -0.718,   3.124)  ( 0.00,  0.01,  0.10)
174:     vdw     ( -3.557,   6.031,   1.619)  ( -3.557,   6.031,   1.619)  ( 0.00,  0.00,  0.00)
174:     electro ( -1.620,  -0.904,   0.376)  ( -1.620,  -0.904,   0.376)  ( 0.00,  0.00,  0.00)
174: 17       ( 72.990, -38.251, -125.567)  ( 73.023, -38.214, -125.562)  ( 0.05,  0.10,  0.00)
174:     bond    ( 76.533,  48.205,  -2.919)  ( 76.562,  48.230,  -2.920)  ( 0.04,  0.05,  0.01)
174:     angle   ( 44.783,  15.169,  -6.917)  ( 44.787,  15.180,  -6.916)  ( 0.01,  0.07,  0.02)
174:     torsion ( -4.190,  -0.869, -11.772)  ( -4.190,  -0.869, -11.770)  ( 0.00,  0.01,  0.02)
174:     vdw     (-44.136, -100.757, -103.958)  (-44.136, -100.754, -103.956)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 18       (119.639, -56.704, -193.548)  (119.684, -56.658, -193.499)  ( 0.04,  0.08,  0.03)
174:     bond    ( 90.494, -62.887, -134.670)  ( 90.528, -62.851, -134.631)  ( 0.04,  0.06,  0.03)
174:     angle   (  7.958,   4.349, -58.658)  (  7.967,   4.359, -58.648)  ( 0.11,  0.23,  0.02)
174:     torsion (  6.994,   0.785,  -1.421)  (  6.994,   0.785,  -1.420)  ( 0.01,  0.02,  0.05)
174:     vdw     ( 14.194,   1.049,   1.201)  ( 14.194,   1.049,   1.201)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 19       (-28.867, -137.080, 213.252)  (-28.819, -137.032, 213.302)  ( 0.17,  0.04,  0.02)
174:     bond    ( -2.959, -76.425, 133.671)  ( -2.923, -76.388, 133.709)  ( 1.23,  0.05,  0.03)
174:     angle   (-21.380, -58.465,  80.090)  (-21.369, -58.454,  80.102)  ( 0.05,  0.02,  0.02)
174:     torsion ( -6.308,  -1.853,  -1.783)  ( -6.308,  -1.852,  -1.783)  ( 0.01,  0.02,  0.01)
174:     vdw     (  1.781,  -0.337,   1.274)  (  1.781,  -0.337,   1.274)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 20       (207.909, -466.263,  79.993)  (207.985, -466.174,  80.005)  ( 0.04,  0.02,  0.01)
174:     bond    (182.230, -600.186,  98.639)  (182.294, -600.111,  98.647)  ( 0.04,  0.01,  0.01)
174:     angle   ( 30.140, 138.056, -17.107)  ( 30.152, 138.069, -17.105)  ( 0.04,  0.01,  0.01)
174:     torsion ( -1.300,   0.946,   0.552)  ( -1.300,   0.946,   0.554)  ( 0.03,  0.01,  0.12)
174:     vdw     ( -3.161,  -5.079,  -2.091)  ( -3.161,  -5.079,  -2.091)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 21       (264.766, 1019.746,  41.828)  (264.807, 1019.826,  41.835)  ( 0.02,  0.01,  0.02)
174:     bond    (243.258, 971.230,  40.076)  (243.286, 971.307,  40.079)  ( 0.01,  0.01,  0.01)
174:     angle   ( 14.169,  42.623,   0.148)  ( 14.181,  42.625,   0.150)  ( 0.08,  0.01,  0.03)
174:     torsion ( -1.329,   0.222,   3.722)  ( -1.329,   0.222,   3.723)  ( 0.02,  0.00,  0.04)
174:     vdw     (  8.669,   5.671,  -2.118)  (  8.669,   5.671,  -2.118)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 22       (-402.004, -170.741, -141.440)  (-401.917, -170.640, -141.423)  ( 0.02,  0.06,  0.01)
174:     bond    (-503.192, -178.190, -182.315)  (-503.117, -178.102, -182.302)  ( 0.02,  0.05,  0.01)
174:     angle   (102.277,   0.774,  39.469)  (102.288,   0.786,  39.470)  ( 0.01,  0.93,  0.00)
174:     torsion ( -0.534,   0.081,   1.258)  ( -0.533,   0.081,   1.261)  ( 0.02,  0.00,  0.24)
174:     vdw     ( -0.555,   6.594,   0.148)  ( -0.555,   6.594,   0.148)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 23       (265.191, -645.691, 142.343)  (265.272, -645.583, 142.360)  ( 0.03,  0.02,  0.01)
174:     bond    (398.592, -719.663, 195.944)  (398.659, -719.565, 195.956)  ( 0.02,  0.01,  0.01)
174:     angle   (-135.752,  68.646, -51.584)  (-135.740,  68.656, -51.583)  ( 0.01,  0.01,  0.00)
174:     torsion (  0.753,  -0.118,  -2.003)  (  0.754,  -0.118,  -2.000)  ( 0.04,  0.00,  0.18)
174:     vdw     (  1.598,   5.444,  -0.014)  (  1.598,   5.444,  -0.014)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 24       (-80.570, 704.233, -74.510)  (-80.507, 704.325, -74.494)  ( 0.08,  0.01,  0.02)
174:     bond    ( 93.805, 555.868,   4.190)  ( 93.859, 555.946,   4.203)  ( 0.06,  0.01,  0.31)
174:     angle   (-173.921, 150.290, -79.824)  (-173.912, 150.303, -79.823)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.452,   0.056,   1.226)  ( -0.452,   0.056,   1.228)  ( 0.02,  0.00,  0.21)
174:     vdw     ( -0.003,  -1.981,  -0.103)  ( -0.003,  -1.981,  -0.103)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 25       (138.634, -255.892,  72.775)  (138.719, -255.822,  72.790)  ( 0.06,  0.03,  0.02)
174:     bond    ( 78.315, 129.261,  21.824)  ( 78.391, 129.313,  21.836)  ( 0.10,  0.04,  0.06)
174:     angle   ( 56.522, -381.810,  49.106)  ( 56.530, -381.791,  49.107)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.678,   0.012,  -1.874)  (  0.679,   0.012,  -1.871)  ( 0.03,  0.00,  0.13)
174:     vdw     (  2.878,  -4.540,   3.180)  (  2.878,  -4.540,   3.180)  ( 0.00,  0.01,  0.00)
174:     electro (  0.241,   1.185,   0.538)  (  0.241,   1.185,   0.538)  ( 0.00,  0.00,  0.00)
174: 26       (-136.091, -340.547, -47.481)  (-136.024, -340.460, -47.468)  ( 0.05,  0.03,  0.03)
174:     bond    (-101.762, -361.165,  -9.618)  (-101.706, -361.091,  -9.610)  ( 0.06,  0.02,  0.08)
174:     angle   (-38.960,  23.208, -34.425)  (-38.950,  23.221, -34.422)  ( 0.03,  0.06,  0.01)
174:     torsion (  3.895,  -1.182, -10.458)  (  3.895,  -1.182, -10.457)  ( 0.01,  0.01,  0.02)
174:     vdw     (  0.737,  -1.408,   7.021)  (  0.737,  -1.408,   7.021)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 27       (392.416, -128.937, 160.507)  (392.479, -128.885, 160.518)  ( 0.02,  0.04,  0.01)
174:     bond    (379.882, -144.919, 155.173)  (379.943, -144.876, 155.182)  ( 0.02,  0.03,  0.01)
174:     angle   ( 14.261,  17.407,   2.817)  ( 14.264,  17.416,   2.818)  ( 0.02,  0.05,  0.04)
174:     torsion ( -1.305,   0.304,   3.355)  ( -1.305,   0.304,   3.356)  ( 0.01,  0.00,  0.02)
174:     vdw     ( -0.422,  -1.729,  -0.838)  ( -0.422,  -1.729,  -0.838)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 28       (1315.146, -74.669, 493.336)  (1315.206, -74.577, 493.354)  ( 0.00,  0.12,  0.00)
174:     bond    (1185.804,  92.689, 432.055)  (1185.856,  92.772, 432.069)  ( 0.00,  0.09,  0.00)
174:     angle   (130.865, -167.104,  60.684)  (130.874, -167.094,  60.687)  ( 0.01,  0.01,  0.00)
174:     torsion ( -0.460,   0.082,   1.241)  ( -0.460,   0.082,   1.242)  ( 0.01,  0.00,  0.11)
174:     vdw     ( -1.064,  -0.337,  -0.644)  ( -1.064,  -0.337,  -0.644)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 29       (-407.489, 229.581, -174.705)  (-407.472, 229.589, -174.700)  ( 0.00,  0.00,  0.00)
174:     bond    (-428.438, 181.023, -179.396)  (-428.422, 181.028, -179.392)  ( 0.00,  0.00,  0.00)
174:     angle   ( 18.109,  47.213,   4.397)  ( 18.110,  47.216,   4.397)  ( 0.00,  0.01,  0.00)
174:     torsion (  0.211,  -0.029,  -0.534)  (  0.211,  -0.029,  -0.534)  ( 0.00,  0.00,  0.03)
174:     vdw     (  2.629,   1.375,   0.829)  (  2.629,   1.375,   0.829)  ( 0.00,  0.01,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 30       (-1375.520,  93.450, -519.145)  (-1375.476,  93.506, -519.093)  ( 0.00,  0.06,  0.01)
174:     bond    (-1368.931,   2.598, -509.342)  (-1368.899,   2.640, -509.300)  ( 0.00,  1.63,  0.01)
174:     angle   ( -6.421,  89.619,  -9.663)  ( -6.410,  89.632,  -9.653)  ( 0.18,  0.01,  0.11)
174:     torsion ( -0.024,   0.004,   0.064)  ( -0.024,   0.004,   0.065)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.144,   1.230,  -0.204)  ( -0.144,   1.230,  -0.204)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 31       (-252.383,  68.712,  72.986)  (-252.334,  68.760,  73.032)  ( 0.02,  0.07,  0.06)
174:     bond    (-183.680, 108.332,  28.850)  (-183.643, 108.368,  28.887)  ( 0.02,  0.03,  0.13)
174:     angle   (-67.485, -40.784,  37.274)  (-67.473, -40.773,  37.283)  ( 0.02,  0.03,  0.02)
174:     torsion ( -1.634,   0.633,   4.614)  ( -1.633,   0.633,   4.614)  ( 0.03,  0.02,  0.01)
174:     vdw     (  0.416,   0.531,   2.248)  (  0.416,   0.531,   2.248)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 32       ( 26.424, 201.539, -65.524)  ( 26.469, 201.589, -65.476)  ( 0.17,  0.02,  0.07)
174:     bond    ( 10.558, 131.097, -37.808)  ( 10.594, 131.133, -37.771)  ( 0.34,  0.03,  0.10)
174:     angle   ( 15.093,  68.172, -27.150)  ( 15.102,  68.185, -27.140)  ( 0.06,  0.02,  0.04)
174:     torsion (  0.521,   3.013,  -1.060)  (  0.521,   3.013,  -1.060)  ( 0.03,  0.02,  0.02)
174:     vdw     (  0.252,  -0.742,   0.494)  (  0.252,  -0.742,   0.494)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 33       (  5.447, -166.720, -114.957)  (  5.495, -166.670, -114.908)  ( 0.89,  0.03,  0.04)
174:     bond    (  0.388, -85.303, -71.338)  (  0.425, -85.265, -71.301)  ( 1.43,  0.04,  0.05)
174:     angle   (  3.800, -80.567, -42.048)  (  3.811, -80.555, -42.036)  ( 0.29,  0.02,  0.03)
174:     torsion (  0.744,  -0.036,   0.075)  (  0.745,  -0.036,   0.076)  ( 0.04,  0.00,  0.00)
174:     vdw     (  0.514,  -0.814,  -1.646)  (  0.514,  -0.814,  -1.646)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 34       ( 39.872, -79.602, -11.314)  ( 39.879, -79.577, -11.310)  ( 0.02,  0.03,  0.04)
174:     bond    ( 31.505, -86.048,   4.238)  ( 31.508, -86.023,   4.238)  ( 0.01,  0.03,  0.01)
174:     angle   ( 12.846,   3.739, -19.615)  ( 12.848,   3.740, -19.612)  ( 0.02,  0.01,  0.02)
174:     torsion (  2.043,   0.649,  -2.011)  (  2.043,   0.649,  -2.011)  ( 0.00,  0.00,  0.01)
174:     vdw     ( -6.521,   2.057,   6.075)  ( -6.521,   2.057,   6.075)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 35       ( 36.284,  22.966, -82.660)  ( 36.289,  22.973, -82.636)  ( 0.01,  0.03,  0.03)
174:     bond    ( 21.884,  34.000, -84.579)  ( 21.886,  34.004, -84.556)  ( 0.01,  0.01,  0.03)
174:     angle   ( 18.455, -11.667,   0.087)  ( 18.458, -11.664,   0.087)  ( 0.01,  0.03,  0.00)
174:     torsion ( -0.871,   0.454,  -0.043)  ( -0.871,   0.454,  -0.043)  ( 0.01,  0.01,  0.00)
174:     vdw     ( -3.185,   0.179,   1.876)  ( -3.184,   0.179,   1.876)  ( 0.01,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 36       ( 88.882,  10.987, -11.983)  ( 88.909,  10.992, -11.979)  ( 0.03,  0.04,  0.03)
174:     bond    ( 91.385,  -5.329, -13.368)  ( 91.412,  -5.328, -13.367)  ( 0.03,  0.01,  0.01)
174:     angle   ( -0.040,  18.084,  -7.489)  ( -0.040,  18.088,  -7.487)  ( 0.00,  0.02,  0.04)
174:     torsion (  0.028,  -1.127,   0.641)  (  0.028,  -1.127,   0.641)  ( 0.00,  0.01,  0.00)
174:     vdw     ( -2.490,  -0.640,   8.233)  ( -2.490,  -0.640,   8.234)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 37       ( -4.098,  87.111, -10.557)  ( -4.092,  87.137, -10.553)  ( 0.14,  0.03,  0.04)
174:     bond    (-24.076,  86.846, -10.570)  (-24.074,  86.872, -10.569)  ( 0.01,  0.03,  0.01)
174:     angle   ( 21.480,   4.731, -10.050)  ( 21.483,   4.731, -10.048)  ( 0.02,  0.00,  0.03)
174:     torsion (  2.789,   0.583,  -1.558)  (  2.789,   0.583,  -1.558)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -4.290,  -5.049,  11.622)  ( -4.290,  -5.049,  11.622)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 38       (-23.572, -16.685,  85.626)  (-23.567, -16.678,  85.650)  ( 0.02,  0.04,  0.03)
174:     bond    (-20.719, -32.829,  83.983)  (-20.718, -32.825,  84.006)  ( 0.01,  0.01,  0.03)
174:     angle   (-11.944,  14.964,   2.903)  (-11.941,  14.967,   2.904)  ( 0.02,  0.02,  0.02)
174:     torsion (  0.733,  -0.743,  -0.110)  (  0.733,  -0.743,  -0.110)  ( 0.01,  0.01,  0.00)
174:     vdw     (  8.358,   1.923,  -1.150)  (  8.359,   1.923,  -1.150)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 39       (-33.595,  79.887,  14.514)  (-33.588,  79.911,  14.518)  ( 0.02,  0.03,  0.03)
174:     bond    (-31.431,  85.012,  -4.595)  (-31.427,  85.037,  -4.594)  ( 0.01,  0.03,  0.01)
174:     angle   (-13.511,  -3.912,  19.998)  (-13.508,  -3.912,  20.001)  ( 0.02,  0.01,  0.02)
174:     torsion ( -1.754,  -0.523,   2.320)  ( -1.754,  -0.523,   2.321)  ( 0.00,  0.00,  0.01)
174:     vdw     ( 13.101,  -0.691,  -3.210)  ( 13.101,  -0.691,  -3.210)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 40       (-89.565, -10.449,  25.871)  (-89.538, -10.445,  25.875)  ( 0.03,  0.04,  0.02)
174:     bond    (-93.440,   4.720,  14.652)  (-93.413,   4.721,  14.653)  ( 0.03,  0.01,  0.01)
174:     angle   (  1.162, -17.513,  13.046)  (  1.162, -17.510,  13.049)  ( 0.01,  0.02,  0.02)
174:     torsion ( -0.082,   0.250,  -0.606)  ( -0.082,   0.250,  -0.606)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.795,   2.094,  -1.222)  (  2.795,   2.094,  -1.222)  ( 0.00,  0.00,  0.02)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 41       (  8.560, -87.495,  19.317)  (  8.566, -87.469,  19.321)  ( 0.07,  0.03,  0.02)
174:     bond    ( 25.302, -87.579,  10.941)  ( 25.304, -87.554,  10.942)  ( 0.01,  0.03,  0.01)
174:     angle   (-20.325,  -4.214,  13.279)  (-20.322,  -4.213,  13.282)  ( 0.02,  0.01,  0.02)
174:     torsion ( -1.939,  -0.352,   1.667)  ( -1.939,  -0.352,   1.667)  ( 0.01,  0.00,  0.00)
174:     vdw     (  5.522,   4.650,  -6.571)  (  5.523,   4.650,  -6.570)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 42       (-13.989,  74.223,   4.958)  (-13.983,  74.249,   4.962)  ( 0.04,  0.03,  0.08)
174:     bond    (-21.453,  74.914,  -3.292)  (-21.450,  74.940,  -3.291)  ( 0.01,  0.03,  0.01)
174:     angle   ( 14.946,   5.094,  18.557)  ( 14.949,   5.094,  18.561)  ( 0.02,  0.00,  0.02)
174:     torsion ( -0.016,  -0.004,   0.014)  ( -0.016,  -0.004,   0.014)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -7.466,  -5.781, -10.321)  ( -7.466,  -5.781, -10.321)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 43       ( 78.263,  -2.252,   8.047)  ( 78.290,  -2.248,   8.051)  ( 0.03,  0.18,  0.06)
174:     bond    ( 77.211,  -4.184,  -9.515)  ( 77.238,  -4.183,  -9.514)  ( 0.04,  0.01,  0.01)
174:     angle   (  3.619,   3.438,  27.860)  (  3.619,   3.442,  27.863)  ( 0.00,  0.11,  0.01)
174:     torsion (  0.007,  -0.165,   0.126)  (  0.007,  -0.165,   0.126)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.573,  -1.341, -10.424)  ( -2.573,  -1.341, -10.424)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 44       (  0.559, -21.658,  75.747)  (  0.565, -21.651,  75.771)  ( 0.29,  0.03,  0.03)
174:     bond    (-15.723, -27.268,  71.326)  (-15.722, -27.264,  71.349)  ( 0.01,  0.01,  0.03)
174:     angle   ( 25.339,   8.729,   8.920)  ( 25.342,   8.732,   8.921)  ( 0.01,  0.04,  0.01)
174:     torsion (  0.198,  -0.151,  -0.014)  (  0.198,  -0.151,  -0.014)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -9.254,  -2.968,  -4.484)  ( -9.254,  -2.968,  -4.484)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 45       ( 64.163,  80.826,  16.856)  ( 64.181,  80.843,  16.858)  ( 0.03,  0.02,  0.01)
174:     bond    ( 74.615,  74.402,  16.715)  ( 74.629,  74.416,  16.717)  ( 0.02,  0.02,  0.01)
174:     angle   ( -6.637,   6.301,   1.557)  ( -6.635,   6.304,   1.557)  ( 0.04,  0.04,  0.01)
174:     torsion ( -0.008,   0.091,  -0.372)  ( -0.008,   0.091,  -0.371)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -2.955,   0.013,  -0.139)  ( -2.954,   0.013,  -0.139)  ( 0.01,  0.00,  0.00)
174:     electro ( -0.852,   0.018,  -0.906)  ( -0.852,   0.018,  -0.906)  ( 0.00,  0.00,  0.00)
174: 46       (-16.253, 103.541,  27.783)  (-16.245, 103.567,  27.786)  ( 0.05,  0.03,  0.01)
174:     bond    (-17.811,  88.988,  23.233)  (-17.810,  89.014,  23.235)  ( 0.01,  0.03,  0.01)
174:     angle   ( 54.867,  10.478,   1.919)  ( 54.872,  10.478,   1.919)  ( 0.01,  0.00,  0.00)
174:     torsion (  0.012,  -0.370,   1.425)  (  0.012,  -0.370,   1.425)  ( 0.00,  0.00,  0.05)
174:     vdw     (-53.523,   4.113,   1.555)  (-53.521,   4.113,   1.555)  ( 0.00,  0.00,  0.01)
174:     electro (  0.202,   0.332,  -0.349)  (  0.202,   0.332,  -0.349)  ( 0.00,  0.00,  0.00)
174: 47       ( 46.686, -89.427, -26.362)  ( 46.694, -89.402, -26.359)  ( 0.02,  0.03,  0.01)
174:     bond    ( 27.135, -94.224, -26.191)  ( 27.138, -94.199, -26.189)  ( 0.01,  0.03,  0.01)
174:     angle   ( 23.097,   6.332,   1.160)  ( 23.102,   6.333,   1.160)  ( 0.02,  0.01,  0.01)
174:     torsion ( -0.042,   0.706,  -2.585)  ( -0.042,   0.706,  -2.584)  ( 0.00,  0.00,  0.03)
174:     vdw     ( -6.905,  -1.903,   1.416)  ( -6.905,  -1.903,   1.416)  ( 0.01,  0.00,  0.00)
174:     electro (  3.401,  -0.339,  -0.162)  (  3.401,  -0.339,  -0.162)  ( 0.00,  0.00,  0.00)
174: 48       (-80.683,  -1.490,  46.931)  (-80.656,  -1.486,  46.937)  ( 0.03,  0.23,  0.01)
174:     bond    (-88.637,  -2.317,  20.880)  (-88.611,  -2.317,  20.882)  ( 0.03,  0.02,  0.01)
174:     angle   (  5.474,  -2.071,  22.996)  (  5.474,  -2.068,  23.000)  ( 0.00,  0.14,  0.01)
174:     torsion (  1.564,   0.257,   6.664)  (  1.564,   0.257,   6.664)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.917,   2.642,  -3.609)  (  0.917,   2.642,  -3.609)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 49       ( 27.346,  12.069,  61.421)  ( 27.357,  12.077,  61.439)  ( 0.04,  0.07,  0.03)
174:     bond    ( 27.464,  27.278,  46.599)  ( 27.470,  27.284,  46.615)  ( 0.02,  0.02,  0.04)
174:     angle   (-45.485,  -9.884,  32.585)  (-45.483,  -9.881,  32.586)  ( 0.01,  0.02,  0.00)
174:     torsion (  1.360,   1.464,  -1.659)  (  1.361,   1.464,  -1.659)  ( 0.02,  0.00,  0.01)
174:     vdw     ( 44.008,  -6.790, -16.103)  ( 44.009,  -6.790, -16.103)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 50       (-19.918,  78.133, -20.035)  (-19.910,  78.158, -20.031)  ( 0.04,  0.03,  0.02)
174:     bond    (-29.029,  74.253,   5.631)  (-29.025,  74.277,   5.631)  ( 0.01,  0.03,  0.01)
174:     angle   ( 10.553,   6.257, -28.126)  ( 10.556,   6.257, -28.123)  ( 0.03,  0.01,  0.01)
174:     torsion ( -0.656,  -0.240,  -0.212)  ( -0.656,  -0.240,  -0.212)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -0.786,  -2.136,   2.672)  ( -0.786,  -2.136,   2.672)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 51       ( 59.372,  24.629, -42.928)  ( 59.398,  24.633, -42.922)  ( 0.04,  0.02,  0.01)
174:     bond    ( 64.561,   5.165, -19.507)  ( 64.586,   5.165, -19.505)  ( 0.04,  0.01,  0.01)
174:     angle   (-12.918,  24.858, -36.193)  (-12.918,  24.862, -36.190)  ( 0.00,  0.01,  0.01)
174:     torsion (  0.060,   0.650,   0.370)  (  0.060,   0.650,   0.370)  ( 0.00,  0.01,  0.00)
174:     vdw     (  7.669,  -6.044,  12.403)  (  7.669,  -6.044,  12.403)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 52       (-30.314, -16.291, -76.443)  (-30.304, -16.282, -76.426)  ( 0.03,  0.06,  0.02)
174:     bond    (-39.923, -37.279, -58.542)  (-39.916, -37.273, -58.527)  ( 0.02,  0.02,  0.03)
174:     angle   ( 10.108,  21.559, -20.629)  ( 10.111,  21.562, -20.628)  ( 0.03,  0.01,  0.01)
174:     torsion (  0.298,  -0.200,  -0.076)  (  0.298,  -0.200,  -0.076)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -0.797,  -0.372,   2.804)  ( -0.797,  -0.372,   2.804)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 53       ( 94.650,  84.772, 119.505)  ( 94.656,  84.803, 119.509)  ( 0.01,  0.04,  0.00)
174:     bond    (  2.433, -20.470,   2.878)  (  2.434, -20.442,   2.879)  ( 0.01,  0.14,  0.02)
174:     angle   ( 34.810,   5.798,  11.741)  ( 34.814,   5.798,  11.742)  ( 0.01,  0.00,  0.01)
174:     torsion (  1.481,  -0.354,  -3.766)  (  1.481,  -0.354,  -3.765)  ( 0.01,  0.00,  0.01)
174:     vdw     ( 58.022, 100.394, 109.595)  ( 58.023, 100.397, 109.597)  ( 0.00,  0.00,  0.00)
174:     electro ( -2.096,  -0.597,  -0.943)  ( -2.096,  -0.597,  -0.943)  ( 0.00,  0.00,  0.00)
174: 54       (-23.064, -68.758,  -2.726)  (-23.057, -68.733,  -2.722)  ( 0.03,  0.04,  0.16)
174:     bond    (-23.826, -68.424,  -3.381)  (-23.823, -68.399,  -3.381)  ( 0.01,  0.04,  0.01)
174:     angle   ( -0.162,   0.040,   0.306)  ( -0.159,   0.040,   0.310)  ( 0.05,  0.00,  0.12)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  0.924,  -0.373,   0.349)  (  0.924,  -0.373,   0.349)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 55       (-40.151,  26.871,  56.321)  (-40.140,  26.881,  56.334)  ( 0.03,  0.04,  0.02)
174:     bond    (-43.020,  38.071,  45.501)  (-43.010,  38.079,  45.512)  ( 0.02,  0.02,  0.02)
174:     angle   (  0.667, -12.551,  11.129)  (  0.669, -12.548,  11.131)  ( 0.14,  0.02,  0.02)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  2.201,   1.351,  -0.308)  (  2.201,   1.351,  -0.308)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 56       (  7.916,  16.915, -72.081)  (  7.920,  16.924, -72.056)  ( 0.04,  0.05,  0.03)
174:     bond    ( -1.004,  29.140, -67.460)  ( -1.003,  29.145, -67.436)  ( 0.03,  0.02,  0.03)
174:     angle   (  7.515, -13.544,  -5.964)  (  7.518, -13.541,  -5.964)  ( 0.04,  0.02,  0.01)
174:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174:     vdw     (  1.405,   1.320,   1.344)  (  1.405,   1.320,   1.344)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 57       ( 26.171, -61.282, -57.916)  ( 26.175, -61.262, -57.905)  ( 0.02,  0.03,  0.02)
174:     bond    (  4.936, -71.331, -49.618)  (  4.937, -71.313, -49.608)  ( 0.01,  0.03,  0.02)
174:     angle   ( 21.633,  10.213, -12.532)  ( 21.637,  10.214, -12.530)  ( 0.02,  0.01,  0.01)
174:     torsion (  1.202,  -0.052,   0.194)  (  1.202,  -0.052,   0.194)  ( 0.01,  0.00,  0.00)
174:     vdw     ( -1.601,  -0.112,   4.039)  ( -1.601,  -0.112,   4.039)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 58       ( 76.270,  22.941, -23.323)  ( 76.292,  22.950, -23.319)  ( 0.03,  0.04,  0.02)
174:     bond    ( 71.291,  39.669,  -8.011)  ( 71.312,  39.676,  -8.010)  ( 0.03,  0.02,  0.01)
174:     angle   (  7.268, -17.136, -20.161)  (  7.269, -17.134, -20.158)  ( 0.01,  0.01,  0.02)
174:     torsion (  0.113,  -0.215,  -0.061)  (  0.113,  -0.215,  -0.061)  ( 0.00,  0.00,  0.00)
174:     vdw     ( -2.401,   0.624,   4.911)  ( -2.401,   0.624,   4.911)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 59       (-63.192, -63.428,  16.181)  (-63.170, -63.418,  16.184)  ( 0.03,  0.02,  0.02)
174:     bond    (-78.176, -47.083,   7.956)  (-78.155, -47.075,   7.957)  ( 0.03,  0.02,  0.01)
174:     angle   ( 13.238, -20.310,   9.894)  ( 13.239, -20.308,   9.897)  ( 0.01,  0.01,  0.03)
174:     torsion ( -0.006,  -0.084,  -0.554)  ( -0.006,  -0.083,  -0.554)  ( 0.00,  0.00,  0.01)
174:     vdw     (  1.752,   4.048,  -1.116)  (  1.752,   4.048,  -1.116)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 60       ( 51.337, -71.320,  31.040)  ( 51.354, -71.307,  31.045)  ( 0.03,  0.02,  0.02)
174:     bond    ( 69.756, -57.600,  27.076)  ( 69.771, -57.589,  27.078)  ( 0.02,  0.02,  0.01)
174:     angle   (-15.014, -15.981,   4.697)  (-15.013, -15.979,   4.699)  ( 0.01,  0.01,  0.05)
174:     torsion ( -2.419,  -2.372,   1.187)  ( -2.419,  -2.372,   1.187)  ( 0.01,  0.01,  0.01)
174:     vdw     ( -0.986,   4.632,  -1.920)  ( -0.986,   4.633,  -1.920)  ( 0.00,  0.00,  0.01)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 61       ( -9.231,   4.667,  82.357)  ( -9.227,   4.672,  82.383)  ( 0.05,  0.12,  0.03)
174:     bond    ( -7.198, -23.032,  75.880)  ( -7.197, -23.029,  75.906)  ( 0.01,  0.01,  0.03)
174:     angle   ( -4.131,  30.637,   8.904)  ( -4.128,  30.641,   8.905)  ( 0.09,  0.01,  0.00)
174:     torsion (  1.717,  -0.060,   0.145)  (  1.717,  -0.060,   0.145)  ( 0.01,  0.00,  0.00)
174:     vdw     (  0.381,  -2.879,  -2.572)  (  0.381,  -2.879,  -2.572)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 62       ( 55.671,  56.605,  11.335)  ( 55.692,  56.616,  11.339)  ( 0.04,  0.02,  0.04)
174:     bond    ( 65.302,  42.165,  -5.964)  ( 65.321,  42.173,  -5.964)  ( 0.03,  0.02,  0.01)
174:     angle   ( -9.206,  17.304,  21.554)  ( -9.205,  17.306,  21.558)  ( 0.01,  0.01,  0.02)
174:     torsion ( -0.690,   0.900,  -1.189)  ( -0.690,   0.900,  -1.189)  ( 0.00,  0.00,  0.01)
174:     vdw     (  0.266,  -3.764,  -3.067)  (  0.266,  -3.764,  -3.066)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: 63       (-52.640,  58.487,  10.669)  (-52.622,  58.499,  10.674)  ( 0.03,  0.02,  0.05)
174:     bond    (-57.918,  44.816, -15.152)  (-57.901,  44.826, -15.150)  ( 0.03,  0.02,  0.01)
174:     angle   (  6.047,  18.030,  30.234)  (  6.048,  18.032,  30.238)  ( 0.03,  0.01,  0.01)
174:     torsion ( -1.141,  -1.037,   1.293)  ( -1.141,  -1.037,   1.293)  ( 0.00,  0.00,  0.01)
174:     vdw     (  0.372,  -3.322,  -5.707)  (  0.372,  -3.322,  -5.706)  ( 0.00,  0.00,  0.00)
174:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
174: ok 36 # gradients 
174: 1..36
175: # Testing MMFF94 Force Field...
175: ok 1 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : 
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
175:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
175:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
175:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
175:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
175:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
175:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
175:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
175:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
175:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
175:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
175:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
175:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
175:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
175:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
175:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
175:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
175:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
175:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
175:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
175:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
175:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
175:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
175:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
175:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
175:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
175:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
175:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
175:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
175:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
175:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
175:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
175:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
175:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
175:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
175:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
175:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
175:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
175:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
175:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
175:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
175:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
175:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
175:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
175:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
175:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
175:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
175:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
175:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
175:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
175:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
175:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
175:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
175:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
175:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
175: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
175:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
175:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
175:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
175:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
175:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
175: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
175:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
175:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
175:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
175:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
175:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
175:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
175: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
175:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
175:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
175:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
175:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
175:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
175:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
175: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
175:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
175:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
175:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
175:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
175: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
175:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
175:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
175:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
175:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
175: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
175:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
175:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
175:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
175:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
175:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
175: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
175:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
175:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
175:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
175:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
175:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
175: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
175:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
175:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
175:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
175:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
175:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
175: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
175:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
175:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
175:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
175:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
175:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
175: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
175:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
175:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
175:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
175: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
175:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
175:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
175:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
175:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
175:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
175: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
175:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
175:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
175:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
175:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
175:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
175: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
175:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
175:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
175:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
175:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
175: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
175:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
175:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
175:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
175:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
175: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
175:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
175:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
175:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
175:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
175:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
175:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
175:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
175:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
175:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
175:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
175:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
175:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
175:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
175:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
175:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
175:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
175:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
175:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
175:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
175:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
175:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
175:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
175:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
175:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
175:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
175:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
175:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
175:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
175:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
175:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
175:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
175:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
175:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
175:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
175: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
175:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
175:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
175:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
175:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
175: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
175:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
175:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
175:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
175: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
175:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
175:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
175:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
175: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
175:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
175:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
175:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
175:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
175: ok 2 # gradients 
175: ok 3 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       (  0.018,  -0.341,  -0.002)  (  0.027,  -0.334,  -0.000)  ( 0.02,  0.23,  0.00)
175:     bond    (  5.237,   0.172,   1.390)  (  5.245,   0.178,   1.391)  ( 0.15,  0.09,  0.04)
175:     angle   ( -3.469,   1.277,  -0.875)  ( -3.468,   1.279,  -0.875)  ( 0.03,  0.14,  0.01)
175:     strbnd  (  1.478,   0.534,   0.407)  (  1.477,   0.533,   0.407)  ( 0.04,  0.03,  0.00)
175:     torsion ( -0.001,  -0.000,   0.002)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.604,  -0.435,  -0.173)  ( -0.604,  -0.435,  -0.173)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.623,  -1.889,  -0.753)  ( -2.623,  -1.889,  -0.753)  ( 0.00,  0.00,  0.00)
175:  2       ( -0.035,   0.614,  -0.000)  ( -0.026,   0.621,   0.002)  ( 0.03,  0.42,  0.00)
175:     bond    ( -4.097,   4.193,  -0.946)  ( -4.089,   4.199,  -0.946)  ( 0.20,  0.13,  0.06)
175:     angle   (  6.070,  -3.235,   1.494)  (  6.071,  -3.233,   1.494)  ( 0.02,  0.06,  0.02)
175:     strbnd  ( -2.009,  -0.344,  -0.542)  ( -2.010,  -0.344,  -0.542)  ( 0.03,  0.02,  0.00)
175:     torsion (  0.001,   0.000,  -0.005)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       (  0.063,   0.140,   0.024)  (  0.065,   0.142,   0.025)  ( 0.01,  0.04,  0.00)
175:     bond    (  1.119,   1.704,   0.350)  (  1.120,   1.706,   0.350)  ( 0.10,  0.15,  0.00)
175:     angle   (  1.146,  -0.809,   0.277)  (  1.146,  -0.809,   0.277)  ( 0.03,  0.02,  0.00)
175:     strbnd  ( -0.382,  -0.759,  -0.125)  ( -0.382,  -0.759,  -0.125)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,  -0.000,   0.003)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.717,  -0.020,  -0.190)  ( -0.717,  -0.020,  -0.190)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.101,   0.024,  -0.290)  ( -1.101,   0.024,  -0.290)  ( 0.00,  0.00,  0.00)
175:  4       ( -0.062,   0.129,  -0.016)  ( -0.061,   0.132,  -0.016)  ( 0.01,  0.04,  0.00)
175:     bond    (  1.259,  -2.407,   0.256)  (  1.260,  -2.404,   0.256)  ( 0.06,  0.12,  0.00)
175:     angle   (  2.423,   1.342,   0.683)  (  2.423,   1.343,   0.683)  ( 0.02,  0.01,  0.00)
175:     strbnd  ( -0.083,   0.405,  -0.009)  ( -0.083,   0.405,  -0.009)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.868,  -0.122,  -0.761)  ( -2.868,  -0.122,  -0.761)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.793,   0.911,  -0.180)  ( -0.793,   0.911,  -0.180)  ( 0.00,  0.00,  0.00)
175:  5       (  0.040,  -0.110,   0.006)  (  0.041,  -0.107,   0.006)  ( 0.01,  0.03,  0.00)
175:     bond    ( -0.396,   0.799,  -0.079)  ( -0.395,   0.802,  -0.079)  ( 0.03,  0.24,  0.00)
175:     angle   ( -2.535,  -1.318,  -0.711)  ( -2.535,  -1.318,  -0.711)  ( 0.02,  0.01,  0.00)
175:     strbnd  (  0.514,  -0.809,   0.110)  (  0.514,  -0.809,   0.110)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,   0.000,  -0.002)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.567,  -0.187,   0.144)  (  0.567,  -0.187,   0.144)  ( 0.00,  0.00,  0.00)
175:     electro (  1.889,   1.405,   0.544)  (  1.889,   1.405,   0.544)  ( 0.00,  0.00,  0.00)
175:  6       (  0.390,  -0.270,   0.111)  (  0.397,  -0.259,   0.113)  ( 0.24,  0.29,  0.02)
175:     bond    ( -3.396,  -4.839,  -1.050)  ( -3.390,  -4.829,  -1.049)  ( 0.15,  0.21,  0.05)
175:     angle   ( -3.250,   2.439,  -0.769)  ( -3.249,   2.440,  -0.768)  ( 0.03,  0.02,  0.06)
175:     strbnd  (  0.484,   0.974,   0.159)  (  0.484,   0.974,   0.159)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,  -0.000,   0.004)  ( -0.001,  -0.000,   0.004)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.977,   0.183,   0.792)  (  2.977,   0.183,   0.792)  ( 0.00,  0.00,  0.00)
175:     electro (  3.577,   0.972,   0.975)  (  3.577,   0.972,   0.975)  ( 0.00,  0.00,  0.00)
175:  7       ( -0.447,  -0.202,  -0.130)  ( -0.443,  -0.195,  -0.129)  ( 0.18,  0.16,  0.01)
175:     bond    (  0.245,   0.341,   0.076)  (  0.249,   0.348,   0.077)  ( 0.10,  0.26,  0.00)
175:     angle   ( -0.389,   0.299,  -0.100)  ( -0.389,   0.299,  -0.099)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.646,   0.581,   0.189)  (  0.646,   0.581,   0.189)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.949,  -1.423,  -0.296)  ( -0.949,  -1.423,  -0.296)  ( 0.00,  0.00,  0.00)
175: ok 4 # gradients 
175: ok 5 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( -0.124,   0.344,  -0.637)  ( -0.119,   0.347,  -0.633)  ( 0.06,  0.09,  0.26)
175:     bond    (  4.786,   0.643,  -1.120)  (  4.790,   0.648,  -1.116)  ( 0.08,  0.30,  0.40)
175:     angle   ( -4.248,  -1.205,   2.065)  ( -4.246,  -1.204,   2.067)  ( 0.04,  0.13,  0.09)
175:     strbnd  (  1.309,   0.175,  -0.296)  (  1.308,   0.175,  -0.297)  ( 0.05,  0.01,  0.02)
175:     torsion (  0.038,  -0.180,   0.270)  (  0.038,  -0.180,   0.270)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,   0.019,   0.011)  ( -0.000,   0.016,   0.009)  ( 0.00,  0.01,  0.00)
175:     vdw     ( -0.992,   0.534,  -0.937)  ( -0.992,   0.534,  -0.937)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.018,   0.358,  -0.630)  ( -1.018,   0.358,  -0.630)  ( 0.00,  0.00,  0.00)
175:  2       (  0.112,  -0.042,   0.049)  (  0.120,  -0.042,   0.054)  ( 0.08,  0.00,  0.03)
175:     bond    ( -6.313,   3.829,  -6.633)  ( -6.307,   3.832,  -6.625)  ( 0.09,  0.07,  0.12)
175:     angle   ( 14.795,   1.490,  -2.461)  ( 14.798,   1.491,  -2.460)  ( 0.02,  0.05,  0.06)
175:     strbnd  ( -8.362,  -5.365,   9.214)  ( -8.362,  -5.366,   9.212)  ( 0.01,  0.01,  0.02)
175:     torsion ( -0.008,  -0.021,  -0.086)  ( -0.008,  -0.021,  -0.086)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.026,   0.015)  (  0.000,   0.022,   0.012)  ( 0.00,  0.01,  0.00)
175:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.084,  -0.011,   0.022)  ( -0.082,  -0.014,   0.025)  ( 0.02,  0.00,  0.01)
175:     bond    ( -1.795,  -1.762,   3.022)  ( -1.793,  -1.760,   3.028)  ( 0.11,  0.11,  0.18)
175:     angle   ( -8.883,   2.272,  -3.938)  ( -8.882,   2.272,  -3.938)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  5.080,   5.487,  -9.440)  (  5.080,   5.487,  -9.440)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,  -0.052,  -0.030)  (  0.000,  -0.052,  -0.030)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,   0.025,   0.014)  ( -0.000,   0.020,   0.012)  ( 0.00,  0.01,  0.00)
175:     vdw     (  2.113,   0.148,  -0.250)  (  2.113,   0.148,  -0.250)  ( 0.00,  0.00,  0.00)
175:     electro (  3.400,  -6.130,  10.644)  (  3.400,  -6.130,  10.644)  ( 0.00,  0.00,  0.00)
175:  4       ( -0.053,  -0.027,   0.018)  ( -0.044,   0.028,   0.054)  ( 0.05,  0.15,  0.06)
175:     bond    (  1.797,  -0.285,   0.335)  (  1.804,  -0.284,   0.341)  ( 0.39,  0.05,  0.18)
175:     angle   ( -6.314,   1.453,  -2.828)  ( -6.313,   1.453,  -2.827)  ( 0.03,  0.02,  0.04)
175:     strbnd  (  0.607,  -1.012,   1.791)  (  0.607,  -1.012,   1.791)  ( 0.01,  0.01,  0.02)
175:     torsion (  0.002,   0.484,   0.279)  (  0.002,   0.484,   0.279)  ( 0.00,  0.02,  0.00)
175:     oop     (  0.001,  -0.313,  -0.179)  (  0.001,  -0.260,  -0.148)  ( 0.00,  1.66,  0.54)
175:     vdw     (  3.855,  -0.353,   0.619)  (  3.855,  -0.353,   0.619)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       (  0.018,   0.028,  -0.035)  (  0.020,   0.006,  -0.045)  ( 0.00,  0.06,  0.03)
175:     bond    ( -2.157,  -2.229,   3.948)  ( -2.156,  -2.228,   3.951)  ( 0.04,  0.04,  0.08)
175:     angle   ( -0.484,   0.182,  -0.161)  ( -0.483,   0.182,  -0.161)  ( 0.03,  0.00,  0.00)
175:     strbnd  (  0.577,   0.505,  -0.902)  (  0.577,   0.505,  -0.902)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.003,  -0.213,  -0.121)  ( -0.003,  -0.213,  -0.121)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.125,   0.071)  (  0.000,   0.102,   0.058)  ( 0.00,  0.29,  0.09)
175:     vdw     (  1.088,  -0.556,   0.972)  (  1.088,  -0.556,   0.972)  ( 0.00,  0.00,  0.00)
175:     electro (  0.996,   2.213,  -3.840)  (  0.996,   2.213,  -3.840)  ( 0.00,  0.00,  0.00)
175:  6       (  0.021,   0.003,  -0.007)  (  0.026,  -0.014,  -0.016)  ( 0.01,  0.01,  0.01)
175:     bond    (  3.250,   0.122,  -0.167)  (  3.255,   0.122,  -0.167)  ( 0.15,  0.00,  0.00)
175:     angle   (  0.458,  -3.605,   6.307)  (  0.458,  -3.605,   6.308)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -0.266,  -0.042,   0.065)  ( -0.266,  -0.042,   0.065)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,  -0.156,  -0.091)  (  0.001,  -0.156,  -0.091)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.001,   0.118,   0.067)  ( -0.001,   0.101,   0.058)  ( 0.00,  0.20,  0.07)
175:     vdw     ( -0.044,   0.008,  -0.015)  ( -0.044,   0.008,  -0.015)  ( 0.00,  0.00,  0.00)
175:     electro ( -3.378,   3.559,  -6.174)  ( -3.378,   3.559,  -6.174)  ( 0.00,  0.00,  0.00)
175:  7       ( -0.050,  -0.182,   0.030)  ( -0.049,  -0.179,   0.030)  ( 0.00,  0.06,  0.00)
175:     bond    (  0.021,   0.069,  -0.002)  (  0.021,   0.073,  -0.002)  ( 0.00,  0.02,  0.00)
175:     angle   (  1.553,  -0.437,   0.860)  (  1.553,  -0.437,   0.860)  ( 0.03,  0.00,  0.04)
175:     strbnd  (  0.368,   0.645,  -0.047)  (  0.368,   0.645,  -0.047)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.015,   0.001,  -0.149)  ( -0.015,   0.001,  -0.149)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.977,  -0.460,  -0.633)  ( -1.977,  -0.460,  -0.633)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.053,   0.067,   0.183)  ( -0.052,   0.068,   0.186)  ( 0.00,  0.01,  0.05)
175:     bond    (  0.017,  -0.029,  -0.055)  (  0.018,  -0.028,  -0.053)  ( 0.00,  0.00,  0.01)
175:     angle   (  1.567,  -0.533,   0.815)  (  1.568,  -0.532,   0.815)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.370,  -0.276,  -0.582)  (  0.370,  -0.276,  -0.582)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.016,   0.130,  -0.075)  ( -0.016,   0.130,  -0.075)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.992,   0.775,   0.081)  ( -1.992,   0.775,   0.081)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       (  0.179,  -0.202,   0.342)  (  0.180,  -0.201,   0.344)  ( 0.02,  0.02,  0.08)
175:     bond    (  0.367,  -0.375,   0.641)  (  0.368,  -0.374,   0.643)  ( 0.02,  0.03,  0.13)
175:     angle   (  1.546,   0.380,  -0.664)  (  1.547,   0.380,  -0.664)  ( 0.03,  0.01,  0.01)
175:     strbnd  (  0.317,  -0.116,   0.199)  (  0.317,  -0.116,   0.199)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.052,  -0.097,   0.162)  ( -2.052,  -0.097,   0.162)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 6 # gradients 
175: ok 7 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       (  0.431,   0.382,   0.004)  (  0.436,   0.388,   0.009)  ( 0.22,  0.23,  0.00)
175:     bond    ( -4.893,   2.856,  -3.005)  ( -4.889,   2.861,  -3.000)  ( 0.09,  0.16,  0.15)
175:     angle   (  1.859,  -4.639,   2.751)  (  1.861,  -4.637,   2.752)  ( 0.10,  0.04,  0.06)
175:     strbnd  (  0.352,  -0.450,   0.642)  (  0.351,  -0.450,   0.641)  ( 0.05,  0.03,  0.04)
175:     torsion ( -0.296,  -0.439,   0.009)  ( -0.296,  -0.439,   0.009)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.689,   2.322,   0.608)  (  5.689,   2.322,   0.608)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.279,   0.731,  -1.001)  ( -2.279,   0.731,  -1.001)  ( 0.00,  0.00,  0.00)
175:  2       ( -0.776,  -0.622,  -0.218)  ( -0.780,  -0.606,  -0.189)  ( 0.23,  0.97,  0.62)
175:     bond    (  7.306,  -2.470,   3.157)  (  7.312,  -2.468,   3.158)  ( 0.07,  0.08,  0.02)
175:     angle   (  2.892,   8.647,  -4.003)  (  2.893,   8.648,  -4.002)  ( 0.01,  0.02,  0.01)
175:     strbnd  (-10.808,  -7.207,  -0.152)  (-10.809,  -7.207,  -0.152)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.221,   0.486,   0.955)  ( -0.221,   0.486,   0.955)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.054,  -0.078,  -0.175)  (  0.045,  -0.066,  -0.147)  ( 0.04,  0.09,  0.48)
175:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       (  0.077,  -0.215,  -0.263)  (  0.077,  -0.212,  -0.263)  ( 0.01,  0.07,  0.02)
175:     bond    (  0.045,   0.977,   0.187)  (  0.045,   0.980,   0.187)  ( 0.00,  0.32,  0.00)
175:     angle   ( -5.704,   0.511,  -1.299)  ( -5.703,   0.511,  -1.299)  ( 0.01,  0.00,  0.04)
175:     strbnd  ( -0.435,   0.449,  -0.226)  ( -0.435,   0.449,  -0.226)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.156,  -0.037,   0.231)  ( -0.156,  -0.037,   0.231)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.326,  -2.115,   0.844)  (  6.326,  -2.115,   0.844)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  4       ( -0.154,  -0.035,   0.283)  ( -0.151,  -0.034,   0.284)  ( 0.04,  0.00,  0.03)
175:     bond    ( -0.518,  -0.212,   0.225)  ( -0.515,  -0.211,   0.226)  ( 0.13,  0.01,  0.01)
175:     angle   (  0.309,  -0.045,   0.666)  (  0.310,  -0.044,   0.666)  ( 0.01,  0.00,  0.03)
175:     strbnd  ( -0.108,   0.417,  -0.398)  ( -0.108,   0.418,  -0.398)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.012,  -0.211,  -0.225)  ( -0.012,  -0.211,  -0.225)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.175,   0.014,   0.016)  (  0.175,   0.014,   0.016)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       ( -0.220,  -0.180,  -0.107)  ( -0.219,  -0.179,  -0.104)  ( 0.01,  0.01,  0.04)
175:     bond    (  0.005,  -0.076,  -0.456)  (  0.005,  -0.076,  -0.453)  ( 0.00,  0.00,  0.15)
175:     angle   ( -1.188,  -0.996,   0.154)  ( -1.187,  -0.996,   0.154)  ( 0.05,  0.05,  0.00)
175:     strbnd  ( -0.441,   0.249,  -0.473)  ( -0.441,   0.249,  -0.473)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.429,   0.568,  -0.091)  (  0.429,   0.568,  -0.091)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.975,   0.076,   0.758)  (  0.975,   0.076,   0.758)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  6       (  0.815,   1.141,  -0.215)  (  0.856,   1.101,  -0.316)  ( 3.35,  3.49,  2.17)
175:     bond    ( -0.770,  -0.798,   0.110)  ( -0.761,  -0.793,   0.112)  ( 0.74,  0.41,  0.02)
175:     angle   ( -6.533,  -4.058,  -0.587)  ( -6.531,  -4.056,  -0.587)  ( 0.02,  0.05,  0.02)
175:     strbnd  ( 13.048,   4.199,   2.149)  ( 13.046,   4.199,   2.149)  ( 0.02,  0.01,  0.01)
175:     torsion (  0.259,  -0.370,  -0.890)  (  0.259,  -0.370,  -0.889)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.183,   0.268,   0.599)  ( -0.151,   0.221,   0.495)  ( 0.59,  1.25,  6.20)
175:     vdw     ( -5.005,   1.900,  -1.595)  ( -5.005,   1.900,  -1.595)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  7       ( -0.169,  -0.110,  -0.044)  ( -0.176,  -0.088,   0.004)  ( 0.13,  0.25,  0.21)
175:     bond    ( -1.232,   0.565,  -0.626)  ( -1.226,   0.566,  -0.625)  ( 0.52,  0.08,  0.10)
175:     angle   ( -0.414,  -0.699,   0.179)  ( -0.414,  -0.698,   0.179)  ( 0.01,  0.04,  0.00)
175:     strbnd  ( -1.351,   0.487,  -0.628)  ( -1.351,   0.487,  -0.628)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.063,   0.092,   0.208)  ( -0.063,   0.092,   0.208)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.065,  -0.095,  -0.213)  (  0.051,  -0.074,  -0.167)  ( 0.09,  0.19,  0.98)
175:     vdw     ( -0.079,   0.007,  -0.027)  ( -0.079,   0.007,  -0.027)  ( 0.00,  0.00,  0.00)
175:     electro (  2.906,  -0.466,   1.064)  (  2.906,  -0.466,   1.064)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.035,  -0.388,   0.541)  ( -0.043,  -0.371,   0.574)  ( 0.03,  0.66,  1.76)
175:     bond    (  0.028,  -0.862,   0.394)  (  0.028,  -0.860,   0.395)  ( 0.00,  0.24,  0.02)
175:     angle   (  8.772,   1.272,   2.136)  (  8.772,   1.272,   2.136)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.253,   1.856,  -0.912)  ( -0.253,   1.856,  -0.912)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.061,  -0.089,  -0.197)  (  0.061,  -0.089,  -0.197)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.065,  -0.096,  -0.213)  (  0.055,  -0.081,  -0.181)  ( 0.06,  0.14,  0.68)
175:     vdw     ( -8.081,  -2.204,  -0.604)  ( -8.081,  -2.204,  -0.604)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.627,  -0.265,  -0.063)  ( -0.627,  -0.265,  -0.063)  ( 0.00,  0.00,  0.00)
175: ok 8 # gradients 
175: ok 9 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       (  6.021,  -8.841,  15.336)  (  6.025,  -8.837,  15.339)  ( 0.07,  0.04,  0.02)
175:     bond    ( 13.697, -19.381,  33.622)  ( 13.700, -19.379,  33.624)  ( 0.02,  0.02,  0.01)
175:     angle   ( -4.188,   5.759,  -9.944)  ( -4.187,   5.761,  -9.942)  ( 0.03,  0.02,  0.02)
175:     strbnd  ( -3.294,   4.646,  -8.104)  ( -3.295,   4.645,  -8.105)  ( 0.02,  0.01,  0.01)
175:     torsion ( -0.194,   0.135,  -0.238)  ( -0.194,   0.135,  -0.238)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  2       ( -9.933,  -2.704,   4.639)  ( -9.929,  -2.699,   4.644)  ( 0.04,  0.19,  0.11)
175:     bond    (-13.151,   0.001,   0.002)  (-13.148,   0.005,   0.006)  ( 0.03,  0.00,  0.00)
175:     angle   ( -5.431,  -2.186,   3.739)  ( -5.429,  -2.184,   3.741)  ( 0.03,  0.08,  0.04)
175:     strbnd  (  4.098,  -2.031,   3.530)  (  4.097,  -2.031,   3.529)  ( 0.04,  0.02,  0.01)
175:     torsion ( -0.000,   0.166,  -0.285)  (  0.000,   0.166,  -0.285)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       (  3.813,   8.396,   5.795)  (  3.819,   8.400,   5.800)  ( 0.14,  0.05,  0.09)
175:     bond    (  4.362,  12.392,  -0.017)  (  4.366,  12.395,  -0.013)  ( 0.09,  0.03,  0.01)
175:     angle   (  3.888,   4.351,   3.744)  (  3.890,   4.353,   3.746)  ( 0.05,  0.04,  0.04)
175:     strbnd  (  0.568,  -4.531,   3.529)  (  0.568,  -4.532,   3.529)  ( 0.03,  0.03,  0.01)
175:     torsion (  0.479,  -0.170,   0.882)  (  0.479,  -0.170,   0.882)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  4       (  3.726,  -9.185,  -4.409)  (  3.731,  -9.180,  -4.405)  ( 0.14,  0.05,  0.09)
175:     bond    (  4.377,  -6.197, -10.754)  (  4.381,  -6.194, -10.751)  ( 0.09,  0.06,  0.03)
175:     angle   (  3.836,  -5.397,  -1.958)  (  3.837,  -5.396,  -1.956)  ( 0.05,  0.03,  0.09)
175:     strbnd  (  0.555,  -0.774,   5.727)  (  0.555,  -0.774,   5.725)  ( 0.03,  0.04,  0.02)
175:     torsion (  0.478,  -0.675,   0.585)  (  0.478,  -0.675,   0.585)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       ( -2.313,  28.066,   0.105)  ( -2.312,  28.068,   0.106)  ( 0.04,  0.01,  0.01)
175:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
175:     angle   (  1.760,   0.623,  -0.007)  (  1.760,   0.623,  -0.006)  ( 0.03,  0.00,  0.00)
175:     strbnd  ( -1.908,  -0.349,   0.000)  ( -1.908,  -0.349,   0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,   0.152)  (  0.000,   0.000,   0.152)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  6       ( -9.233, -13.275,  23.034)  ( -9.232, -13.274,  23.036)  ( 0.01,  0.01,  0.01)
175:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
175:     angle   (  1.828,  -0.303,   0.571)  (  1.829,  -0.302,   0.572)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -1.910,   0.171,  -0.295)  ( -1.910,   0.171,  -0.295)  ( 0.00,  0.00,  0.00)
174/223 Test #174: test_ffghemical_1 ................   Passed    1.42 sec
test 176
        Start 176: test_ffmmff94_2

176: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ffmmff94" "2"
176: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
176: Environment variables: 
176:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
176:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
176: Test timeout computed to be: 1500
175:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  7       ( -2.162, -14.129, -24.316)  ( -2.161, -14.129, -24.314)  ( 0.04,  0.01,  0.01)
175:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
175:     angle   (  1.840,  -0.299,  -0.578)  (  1.840,  -0.299,  -0.578)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -1.909,   0.172,   0.297)  ( -1.909,   0.172,   0.297)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.133,   0.077)  (  0.000,  -0.133,   0.077)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  8       ( 27.568,  -1.841,  -1.569)  ( 27.570,  -1.840,  -1.569)  ( 0.01,  0.04,  0.04)
175:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
175:     angle   ( -0.000,  -1.856,  -0.010)  (  0.000,  -1.856,  -0.009)  ( 0.00,  0.03,  0.00)
175:     strbnd  (  0.304,   1.915,  -0.000)  (  0.304,   1.915,  -0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.469)  (  0.000,   0.000,  -0.469)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       (-11.584,  11.851,  21.981)  (-11.583,  11.852,  21.983)  ( 0.01,  0.01,  0.01)
175:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
175:     angle   ( -0.885,  -1.619,   0.574)  ( -0.885,  -1.619,   0.574)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.798,   1.743,  -0.296)  (  0.798,   1.743,  -0.296)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.382,   0.135,  -0.234)  ( -0.382,   0.135,  -0.234)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 10       (-10.930,   9.420, -22.678)  (-10.929,   9.421, -22.676)  ( 0.01,  0.01,  0.01)
175:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
175:     angle   ( -0.882,  -1.631,  -0.581)  ( -0.882,  -1.630,  -0.581)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.799,   1.742,   0.299)  (  0.799,   1.742,   0.299)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,  -0.000,  -0.001)  (  0.001,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 11       ( 27.570,   2.262,   0.809)  ( 27.573,   2.263,   0.809)  ( 0.01,  0.03,  0.05)
175:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
175:     angle   (  0.001,   0.926,   1.618)  (  0.001,   0.926,   1.618)  ( 0.00,  0.04,  0.03)
175:     strbnd  (  0.305,  -0.958,  -1.660)  (  0.305,  -0.958,  -1.660)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.407,  -0.235)  ( -0.000,   0.407,  -0.235)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 12       (-10.972,  14.917, -19.519)  (-10.971,  14.918, -19.517)  ( 0.01,  0.01,  0.01)
175:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
175:     angle   ( -0.889,   1.308,   1.118)  ( -0.889,   1.309,   1.119)  ( 0.03,  0.03,  0.02)
175:     strbnd  (  0.798,  -1.129,  -1.364)  (  0.798,  -1.129,  -1.364)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       (-11.601, -24.965,   0.763)  (-11.600, -24.963,   0.763)  ( 0.01,  0.01,  0.05)
175:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
175:     angle   ( -0.888,   0.315,   1.704)  ( -0.887,   0.315,   1.705)  ( 0.03,  0.00,  0.03)
175:     strbnd  (  0.799,  -0.614,  -1.659)  (  0.799,  -0.614,  -1.659)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.381,   0.135,  -0.233)  ( -0.381,   0.135,  -0.233)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 10 # gradients 
175: ok 11 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       (-94.849, 134.077, -232.261)  (-94.840, 134.085, -232.257)  ( 0.01,  0.01,  0.00)
175:     bond    (-98.615, 139.541, -241.698)  (-98.607, 139.548, -241.694)  ( 0.01,  0.01,  0.00)
175:     angle   (-17.077,  24.042, -41.606)  (-17.076,  24.043, -41.605)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 20.845, -29.505,  51.044)  ( 20.845, -29.506,  51.044)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.002,  -0.001,  -0.002)  ( -0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  2       (267.229,   1.097,  -1.985)  (267.239,   1.101,  -1.981)  ( 0.00,  0.37,  0.20)
175:     bond    (324.092,   0.002,   0.003)  (324.102,   0.005,   0.006)  ( 0.00,  0.00,  0.00)
175:     angle   ( -7.067,  -9.049,  15.613)  ( -7.066,  -9.047,  15.614)  ( 0.02,  0.02,  0.01)
175:     strbnd  (-54.347,   8.796, -15.254)  (-54.349,   8.796, -15.255)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.001,  -0.000)  (  0.000,   0.001,  -0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       (-92.994, -251.370,  -1.993)  (-92.989, -251.361,  -1.989)  ( 0.01,  0.00,  0.20)
175:     bond    (-108.221, -305.529,  -0.016)  (-108.218, -305.520,  -0.013)  ( 0.00,  0.00,  0.00)
175:     angle   ( 10.871,   3.619,  15.618)  ( 10.872,   3.621,  15.619)  ( 0.01,  0.04,  0.01)
175:     strbnd  (  9.840,  54.186, -15.254)  (  9.840,  54.184, -15.254)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,  -0.000,   0.003)  (  0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  4       (-92.879, 127.455, 216.653)  (-92.874, 127.461, 216.661)  ( 0.01,  0.00,  0.00)
175:     bond    (-107.982, 152.791, 264.561)  (-107.978, 152.795, 264.568)  ( 0.00,  0.00,  0.00)
175:     angle   ( 10.825, -15.317,   4.617)  ( 10.827, -15.315,   4.619)  ( 0.01,  0.01,  0.03)
175:     strbnd  (  9.798, -13.878, -54.515)  (  9.798, -13.878, -54.516)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       ( 14.020,  33.684,  -0.046)  ( 14.021,  33.686,  -0.046)  ( 0.01,  0.01,  0.00)
175:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
175:     angle   (  2.316,   0.820,  -0.007)  (  2.316,   0.820,  -0.006)  ( 0.02,  0.00,  0.00)
175:     strbnd  ( 13.869,   5.072,   0.000)  ( 13.869,   5.072,   0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  6       (  7.090, -16.075,  27.884)  (  7.091, -16.074,  27.886)  ( 0.01,  0.01,  0.01)
175:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
175:     angle   (  2.371,  -0.399,   0.737)  (  2.371,  -0.398,   0.737)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( 13.871,  -2.534,   4.389)  ( 13.871,  -2.534,   4.389)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  7       ( 14.159, -16.794, -29.238)  ( 14.160, -16.793, -29.236)  ( 0.01,  0.01,  0.01)
175:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
175:     angle   (  2.378,  -0.394,  -0.743)  (  2.378,  -0.394,  -0.742)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( 13.873,  -2.530,  -4.384)  ( 13.873,  -2.530,  -4.384)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.001,   0.000)  (  0.000,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  8       ( 27.412, -19.113,  -1.101)  ( 27.414, -19.112,  -1.100)  ( 0.01,  0.00,  0.05)
175:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
175:     angle   ( -0.000,  -2.447,  -0.010)  (  0.000,  -2.447,  -0.009)  ( 0.00,  0.02,  0.00)
175:     strbnd  (  0.148, -14.767,  -0.000)  (  0.148, -14.767,  -0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       (-19.291,  -2.738,  27.067)  (-19.291,  -2.737,  27.069)  ( 0.00,  0.04,  0.01)
175:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
175:     angle   ( -1.157,  -2.100,   0.740)  ( -1.157,  -2.099,   0.740)  ( 0.03,  0.02,  0.01)
175:     strbnd  ( -7.020, -12.229,   4.389)  ( -7.020, -12.229,   4.389)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 10       (-19.016,  -5.032, -27.526)  (-19.015,  -5.031, -27.524)  ( 0.00,  0.02,  0.01)
175:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
175:     angle   ( -1.152,  -2.108,  -0.747)  ( -1.152,  -2.107,  -0.746)  ( 0.03,  0.02,  0.01)
175:     strbnd  ( -7.016, -12.234,  -4.385)  ( -7.016, -12.234,  -4.385)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,  -0.000,  -0.000)  (  0.001,  -0.000,  -0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 11       ( 27.424,  10.493,  15.999)  ( 27.427,  10.494,  16.000)  ( 0.01,  0.01,  0.00)
175:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
175:     angle   (  0.001,   1.221,   2.128)  (  0.001,   1.221,   2.129)  ( 0.00,  0.03,  0.02)
175:     strbnd  (  0.159,   7.384,  12.785)  (  0.159,   7.384,  12.785)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 12       (-19.052,  26.348,  -9.424)  (-19.051,  26.349,  -9.422)  ( 0.00,  0.00,  0.02)
175:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
175:     angle   ( -1.160,   1.692,   1.451)  ( -1.160,   1.692,   1.451)  ( 0.03,  0.02,  0.01)
175:     strbnd  ( -7.010,   9.918,   8.398)  ( -7.010,   9.918,   8.398)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       (-19.294, -22.069,  15.940)  (-19.293, -22.066,  15.940)  ( 0.00,  0.01,  0.00)
175:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
175:     angle   ( -1.157,   0.410,   2.200)  ( -1.157,   0.410,   2.200)  ( 0.03,  0.00,  0.02)
175:     strbnd  ( -7.007,   2.322,  12.788)  ( -7.007,   2.322,  12.788)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.002,  -0.001,   0.001)  (  0.002,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 12 # gradients 
175: ok 13 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       (  0.188,  -0.341,  -0.447)  (  0.196,  -0.337,  -0.439)  ( 0.15,  0.15,  0.35)
175:     bond    ( 12.215,  -2.444,  -2.026)  ( 12.221,  -2.440,  -2.025)  ( 0.05,  0.20,  0.04)
175:     angle   (  1.031,   1.567,   0.419)  (  1.033,   1.568,   0.419)  ( 0.17,  0.09,  0.01)
175:     strbnd  ( -0.276,   0.595,   0.200)  ( -0.276,   0.595,   0.200)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.026,  -0.060,   0.134)  (  0.026,  -0.060,   0.135)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.003,   0.011,  -0.034)  ( -0.003,   0.009,  -0.028)  ( 0.00,  0.00,  0.02)
175:     vdw     (-13.301,   0.238,   1.219)  (-13.301,   0.238,   1.219)  ( 0.00,  0.00,  0.00)
175:     electro (  0.497,  -0.246,  -0.360)  (  0.497,  -0.246,  -0.360)  ( 0.00,  0.00,  0.00)
175:  2       (  0.154,  -0.533,   0.257)  (  0.159,  -0.515,   0.227)  ( 0.07,  0.95,  0.78)
175:     bond    (  8.668,  -9.202,  -3.657)  (  8.674,  -9.197,  -3.657)  ( 0.06,  0.06,  0.02)
175:     angle   (  1.060,  -2.236,  -0.846)  (  1.061,  -2.234,  -0.846)  ( 0.15,  0.07,  0.02)
175:     strbnd  ( -2.306,  -0.145,   0.209)  ( -2.306,  -0.145,   0.209)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.009,  -0.028,   0.128)  ( -0.009,  -0.028,   0.129)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.014,  -0.067,   0.198)  (  0.012,  -0.056,   0.166)  ( 0.00,  0.08,  0.65)
175:     vdw     ( -6.352,  11.522,   4.701)  ( -6.352,  11.522,   4.701)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.922,  -0.376,  -0.475)  ( -0.922,  -0.376,  -0.475)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.038,  -0.435,   0.232)  ( -0.028,  -0.444,   0.280)  ( 0.04,  0.40,  1.12)
175:     bond    ( -6.462, -14.039,  -4.598)  ( -6.457, -14.034,  -4.597)  ( 0.08,  0.04,  0.02)
175:     angle   (  4.729,   7.796,   2.474)  (  4.731,   7.798,   2.474)  ( 0.04,  0.02,  0.01)
175:     strbnd  (  3.737,  -3.706,  -1.522)  (  3.737,  -3.707,  -1.522)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.300,  -2.114,   5.663)  (  0.300,  -2.114,   5.664)  ( 0.00,  0.01,  0.02)
175:     oop     ( -0.022,   0.095,  -0.277)  ( -0.019,   0.079,  -0.231)  ( 0.01,  0.15,  1.28)
175:     vdw     ( -2.173,  13.069,   0.311)  ( -2.172,  13.069,   0.311)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.148,  -1.535,  -1.819)  ( -0.148,  -1.535,  -1.819)  ( 0.00,  0.00,  0.00)
175:  4       (  0.395,   0.197,   0.303)  (  0.400,   0.409,   0.172)  ( 0.21,  4.17,  3.96)
175:     bond    ( -4.734,   2.347,   1.095)  ( -4.729,   2.352,   1.096)  ( 0.11,  0.20,  0.07)
175:     angle   (-10.062,  -2.611,   4.140)  (-10.060,  -2.609,   4.140)  ( 0.02,  0.07,  0.01)
175:     strbnd  (  3.811,   0.602,   0.274)  (  3.811,   0.601,   0.274)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.109,   2.386,  -1.969)  ( -0.109,   2.387,  -1.968)  ( 0.00,  0.01,  0.06)
175:     oop     (  0.013,  -1.116,   0.755)  (  0.011,  -0.910,   0.622)  ( 0.00, 18.44, 10.07)
175:     vdw     (  9.138,  -2.304,  -5.262)  (  9.139,  -2.304,  -5.262)  ( 0.00,  0.00,  0.00)
175:     electro (  2.337,   0.892,   1.269)  (  2.337,   0.892,   1.269)  ( 0.00,  0.00,  0.00)
175:  5       (  0.329,  -0.092,  -0.786)  (  0.325,  -0.035,  -0.926)  ( 0.14,  0.53, 10.94)
175:     bond    ( -9.877,  12.321,   6.024)  ( -9.872,  12.326,   6.025)  ( 0.05,  0.04,  0.01)
175:     angle   (  0.777,  -3.545,  -1.191)  (  0.779,  -3.544,  -1.191)  ( 0.13,  0.04,  0.02)
175:     strbnd  (  3.218,   2.140,   0.609)  (  3.218,   2.140,   0.609)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.010,   0.739,  -2.169)  (  0.010,   0.739,  -2.168)  ( 0.00,  0.01,  0.06)
175:     oop     (  0.069,  -0.304,   0.854)  (  0.058,  -0.253,   0.713)  ( 0.08,  1.53, 12.07)
175:     vdw     (  4.433, -11.904,  -4.594)  (  4.433, -11.904,  -4.594)  ( 0.00,  0.00,  0.00)
175:     electro (  1.700,   0.460,  -0.319)  (  1.700,   0.460,  -0.319)  ( 0.00,  0.00,  0.00)
175:  6       (  0.290,   0.013,  -0.920)  (  0.298,   0.013,  -0.902)  ( 0.24,  0.00,  1.63)
175:     bond    ( 10.935,  11.123,   2.675)  ( 10.940,  11.128,   2.676)  ( 0.05,  0.04,  0.03)
175:     angle   ( -1.841,   0.246,   0.285)  ( -1.839,   0.247,   0.285)  ( 0.09,  0.04,  0.01)
175:     strbnd  ( -0.658,   0.437,   0.063)  ( -0.658,   0.437,   0.063)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.004,   0.151,  -0.129)  ( -0.004,   0.151,  -0.128)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.010,   0.040,  -0.102)  ( -0.008,   0.034,  -0.087)  ( 0.00,  0.03,  0.16)
175:     vdw     ( -7.809, -11.860,  -3.494)  ( -7.809, -11.860,  -3.494)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.323,  -0.125,  -0.217)  ( -0.323,  -0.125,  -0.217)  ( 0.00,  0.00,  0.00)
175:  7       ( -0.284,  -0.843,  -2.698)  ( -0.304,  -1.685,  -2.039)  ( 0.58, 70.96, 24.42)
175:     bond    ( -8.014,   7.203,  10.301)  ( -8.008,   7.206,  10.304)  ( 0.07,  0.04,  0.04)
175:     angle   ( 23.571,  -6.002, -12.520)  ( 23.573,  -6.000, -12.519)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -5.963,   1.001,   0.741)  ( -5.964,   1.001,   0.741)  ( 0.01,  0.02,  0.02)
175:     torsion ( -2.504, -12.743,   5.344)  ( -2.504, -12.742,   5.344)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.288,   5.178,  -4.155)  (  0.261,   4.331,  -3.501)  ( 0.80, 16.35, 15.74)
175:     vdw     ( -1.708,   5.497,  -2.750)  ( -1.708,   5.497,  -2.750)  ( 0.01,  0.00,  0.00)
175:     electro ( -5.954,  -0.978,   0.342)  ( -5.954,  -0.978,   0.342)  ( 0.00,  0.00,  0.00)
175:  8       ( -2.332,   4.648,   9.846)  ( -2.311,   5.541,   9.465)  ( 0.92, 19.20,  3.87)
175:     bond    (  7.906,   3.155,   6.283)  (  7.911,   3.158,   6.291)  ( 0.07,  0.08,  0.13)
175:     angle   (-11.927,  11.968,  23.696)  (-11.925,  11.969,  23.697)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -0.172,  -3.227,  -7.634)  ( -0.173,  -3.227,  -7.635)  ( 0.02,  0.01,  0.01)
175:     torsion ( -1.724,   6.797, -17.832)  ( -1.724,   6.797, -17.832)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.107,  -5.155,   2.589)  ( -0.093,  -4.267,   2.199)  ( 0.16, 17.23, 15.06)
175:     vdw     (  4.239,  -5.387,   2.000)  (  4.239,  -5.387,   2.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.546,  -3.502,   0.745)  ( -0.546,  -3.502,   0.745)  ( 0.00,  0.00,  0.00)
175:  9       (  2.586,  -3.839,  -7.626)  (  2.603,  -4.121,  -7.463)  ( 0.65,  7.34,  2.13)
175:     bond    (  6.677,  -9.432, -17.814)  (  6.678,  -9.430, -17.808)  ( 0.01,  0.02,  0.03)
175:     angle   ( -3.223,  -0.345,  -1.026)  ( -3.222,  -0.345,  -1.026)  ( 0.03,  0.00,  0.01)
175:     strbnd  ( -3.032,   4.056,   7.810)  ( -3.032,   4.056,   7.810)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.306,   6.009,  -3.297)  ( -0.306,   6.009,  -3.297)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.071,   1.455,  -0.797)  ( -0.056,   1.171,  -0.641)  ( 0.11, 19.52, 12.44)
175:     vdw     (  7.280,  -5.048,  11.866)  (  7.280,  -5.048,  11.866)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.739,  -0.534,  -4.368)  ( -4.739,  -0.534,  -4.368)  ( 0.00,  0.00,  0.00)
175: 10       (  1.000,  -0.547,  -0.386)  (  0.966,  -0.774,  -0.726)  ( 3.43, 12.41, 13.13)
175:     bond    (  9.695,  23.920,  -3.884)  (  9.701,  23.924,  -3.884)  ( 0.06,  0.02,  0.01)
175:     angle   (-15.143, -13.685, -10.389)  (-15.141, -13.683, -10.388)  ( 0.01,  0.01,  0.01)
175:     strbnd  (  1.542, -11.914,   0.169)  (  1.542, -11.915,   0.169)  ( 0.03,  0.01,  0.00)
175:     torsion (  1.960,  -0.605,  10.880)  (  1.960,  -0.605,  10.881)  ( 0.00,  0.01,  0.01)
175:     oop     (  0.202,   1.528,   1.715)  (  0.161,   1.295,   1.373)  ( 0.83, 15.24, 19.96)
175:     vdw     (  3.415,   0.682,   1.760)  (  3.415,   0.682,   1.760)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.671,  -0.472,  -0.637)  ( -0.671,  -0.472,  -0.637)  ( 0.00,  0.00,  0.00)
175: 11       ( -0.171,  -0.241,  -0.542)  ( -0.163,  -0.080,   0.005)  ( 0.12,  3.88, 29.65)
175:     bond    (-13.094,  -5.115,  -0.788)  (-13.089,  -5.111,  -0.787)  ( 0.04,  0.09,  0.05)
175:     angle   ( -2.503,   4.242,  11.159)  ( -2.501,   4.244,  11.160)  ( 0.09,  0.05,  0.00)
175:     strbnd  ( 10.155,   7.918,  -0.812)  ( 10.154,   7.917,  -0.812)  ( 0.01,  0.01,  0.01)
175:     torsion (  1.046,  -1.903,  -2.449)  (  1.046,  -1.903,  -2.448)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.039,  -0.779,  -2.945)  ( -0.038,  -0.624,  -2.400)  ( 0.00, 12.08, 18.52)
175:     vdw     ( -0.018,  -4.278,  -1.767)  ( -0.018,  -4.278,  -1.767)  ( 0.00,  0.00,  0.00)
175:     electro (  4.282,  -0.325,  -2.941)  (  4.282,  -0.325,  -2.941)  ( 0.00,  0.00,  0.00)
175: 12       (  0.049,  -0.113,  -0.121)  (  0.055,  -0.145,  -0.246)  ( 0.03,  0.36,  1.51)
175:     bond    ( -6.964,  10.847,  -2.041)  ( -6.957,  10.853,  -2.041)  ( 0.09,  0.05,  0.02)
175:     angle   (  3.466, -18.735,   1.444)  (  3.468, -18.732,   1.444)  ( 0.06,  0.01,  0.03)
175:     strbnd  (  5.241,  10.045,  -1.635)  (  5.240,  10.043,  -1.635)  ( 0.02,  0.01,  0.00)
175:     torsion ( -0.277,  -0.199,   0.243)  ( -0.277,  -0.199,   0.244)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.002,   0.243,   0.879)  ( -0.003,   0.205,   0.753)  ( 0.00,  0.94, 11.08)
175:     vdw     ( -1.680,  -2.461,   0.754)  ( -1.680,  -2.461,   0.754)  ( 0.00,  0.00,  0.00)
175:     electro (  0.266,   0.147,   0.236)  (  0.266,   0.147,   0.236)  ( 0.00,  0.00,  0.00)
175: 13       ( -1.916,   4.711,  -0.986)  ( -1.911,   4.727,  -0.929)  ( 0.21,  0.35,  5.65)
175:     bond    ( -0.615,   7.046,  -1.142)  ( -0.607,   7.052,  -1.141)  ( 0.46,  0.08,  0.02)
175:     angle   (  9.671,  -9.830,   1.897)  (  9.673,  -9.828,   1.897)  ( 0.02,  0.02,  0.00)
175:     strbnd  (  1.450,  -2.787,   0.428)  (  1.450,  -2.788,   0.428)  ( 0.05,  0.05,  0.00)
175:     torsion ( -0.027,   0.521,  -1.869)  ( -0.027,   0.521,  -1.868)  ( 0.00,  0.00,  0.05)
175:     oop     (  0.024,  -0.050,  -0.214)  (  0.019,  -0.041,  -0.158)  ( 0.01,  0.05,  1.20)
175:     vdw     (-11.109,   9.890,   1.556)  (-11.109,   9.890,   1.556)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.309,  -0.078,  -1.642)  ( -1.309,  -0.078,  -1.642)  ( 0.00,  0.00,  0.00)
175: 14       (  6.713,  -5.411,   0.328)  (  6.722,  -5.394,   0.357)  ( 0.13,  0.31,  0.96)
175:     bond    (-12.462, -21.961,   0.624)  (-12.457, -21.955,   0.624)  ( 0.04,  0.02,  0.01)
175:     angle   ( 21.478,  16.756,  -1.059)  ( 21.481,  16.758,  -1.059)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -5.263,  -1.582,  -0.270)  ( -5.263,  -1.582,  -0.270)  ( 0.01,  0.03,  0.00)
175:     torsion ( -0.035,  -0.626,   1.222)  ( -0.035,  -0.626,   1.223)  ( 0.00,  0.00,  0.11)
175:     oop     (  0.004,  -0.049,  -0.081)  (  0.005,  -0.039,  -0.053)  ( 0.00,  0.05,  0.23)
175:     vdw     (  2.604,   2.443,   0.387)  (  2.604,   2.443,   0.387)  ( 0.00,  0.00,  0.00)
175:     electro (  0.386,  -0.392,  -0.495)  (  0.386,  -0.392,  -0.495)  ( 0.00,  0.00,  0.00)
175: 15       ( -5.129,   0.613,  -0.625)  ( -5.079,   0.616,  -0.328)  ( 0.97,  0.16, 18.57)
175:     bond    ( 11.061,   5.919,  -3.067)  ( 11.066,   5.923,  -3.067)  ( 0.04,  0.08,  0.01)
175:     angle   (-12.299, -15.141,  -0.481)  (-12.297, -15.140,  -0.481)  ( 0.02,  0.01,  0.00)
175:     strbnd  ( -3.290,   0.620,   0.718)  ( -3.290,   0.620,   0.718)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.712,  -0.073,   3.004)  ( -0.712,  -0.073,   3.005)  ( 0.00,  0.00,  0.05)
175:     oop     ( -0.261,   0.034,  -1.913)  ( -0.218,   0.030,  -1.617)  ( 1.11,  0.01, 15.44)
175:     vdw     (  0.370,   9.262,   0.830)  (  0.370,   9.262,   0.830)  ( 0.00,  0.00,  0.00)
175:     electro (  0.002,  -0.007,   0.283)  (  0.002,  -0.007,   0.283)  ( 0.00,  0.00,  0.00)
175: 16       ( -0.296,   0.185,   0.933)  ( -0.303,   0.195,   0.800)  ( 0.21,  0.19, 12.45)
175:     bond    ( 14.452, -16.403,  -3.890)  ( 14.458, -16.398,  -3.890)  ( 0.04,  0.03,  0.01)
175:     angle   (-10.953,   5.321,   1.176)  (-10.951,   5.322,   1.176)  ( 0.02,  0.03,  0.00)
175:     strbnd  (  6.693,   8.480,  -0.639)  (  6.693,   8.479,  -0.639)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.233,  -0.130,   1.677)  (  0.233,  -0.130,   1.679)  ( 0.00,  0.00,  0.08)
175:     oop     (  0.089,  -0.027,   0.816)  (  0.074,  -0.024,   0.681)  ( 0.13,  0.01, 11.01)
175:     vdw     (-10.495,   2.954,   2.887)  (-10.495,   2.954,   2.887)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.314,  -0.010,  -1.094)  ( -0.314,  -0.010,  -1.094)  ( 0.00,  0.00,  0.00)
175: 17       ( -0.587,   0.280,   1.052)  ( -0.579,   0.286,   1.057)  ( 0.46,  0.17,  0.47)
175:     bond    ( 11.943,  13.623,   0.244)  ( 11.949,  13.628,   0.244)  ( 0.05,  0.04,  0.01)
175:     angle   (  1.276,  -3.469,  -0.726)  (  1.277,  -3.467,  -0.726)  ( 0.13,  0.05,  0.00)
175:     strbnd  (  0.726,  -3.329,  -0.300)  (  0.726,  -3.330,  -0.300)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.227,  -0.156,   1.421)  (  0.227,  -0.156,   1.422)  ( 0.00,  0.00,  0.09)
175:     oop     ( -0.004,   0.002,  -0.021)  ( -0.003,   0.002,  -0.018)  ( 0.00,  0.00,  0.01)
175:     vdw     (-14.498,  -6.002,   0.935)  (-14.498,  -6.002,   0.935)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.257,  -0.389,  -0.500)  ( -0.257,  -0.389,  -0.500)  ( 0.00,  0.00,  0.00)
175: 18       ( -0.846,  -0.010,   0.550)  ( -0.842,   0.000,   0.524)  ( 0.36,  0.01,  1.42)
175:     bond    ( -3.720,  10.016,   1.464)  ( -3.714,  10.021,   1.464)  ( 0.15,  0.06,  0.01)
175:     angle   (  3.372,   1.996,  -0.096)  (  3.374,   1.998,  -0.096)  ( 0.05,  0.09,  0.00)
175:     strbnd  (  1.201,  -0.848,  -0.145)  (  1.201,  -0.848,  -0.145)  ( 0.02,  0.01,  0.00)
175:     torsion (  0.005,  -0.001,   0.213)  (  0.005,  -0.001,   0.214)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.015,  -0.016,   0.164)  (  0.013,  -0.013,   0.137)  ( 0.00,  0.00,  0.45)
175:     vdw     ( -1.486, -11.784,  -0.891)  ( -1.486, -11.784,  -0.891)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.234,   0.627,  -0.159)  ( -0.234,   0.627,  -0.159)  ( 0.00,  0.00,  0.00)
175: 19       ( -0.802,  -0.231,  -0.241)  ( -0.792,  -0.227,  -0.209)  ( 0.79,  0.10,  0.77)
175:     bond    ( -3.439,  12.608,   1.190)  ( -3.434,  12.614,   1.190)  ( 0.17,  0.04,  0.02)
175:     angle   ( -7.033,   2.531,   1.010)  ( -7.031,   2.533,   1.010)  ( 0.02,  0.06,  0.01)
175:     strbnd  ( -0.939,  -6.205,  -0.494)  ( -0.939,  -6.206,  -0.494)  ( 0.02,  0.00,  0.00)
175:     torsion (  0.083,  -0.036,   0.405)  (  0.083,  -0.036,   0.406)  ( 0.00,  0.00,  0.05)
175:     oop     ( -0.015,   0.016,  -0.180)  ( -0.012,   0.013,  -0.149)  ( 0.00,  0.00,  0.55)
175:     vdw     ( 11.128,  -8.501,  -1.965)  ( 11.128,  -8.501,  -1.965)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.587,  -0.644,  -0.207)  ( -0.587,  -0.644,  -0.207)  ( 0.00,  0.00,  0.00)
175: 20       ( -0.443,  -0.226,  -0.393)  ( -0.448,  -0.219,  -0.464)  ( 0.20,  0.16,  2.79)
175:     bond    (-23.028,   1.536,   2.475)  (-23.023,   1.541,   2.475)  ( 0.02,  0.33,  0.01)
175:     angle   ( 15.846,  -1.882,  -2.254)  ( 15.848,  -1.881,  -2.254)  ( 0.01,  0.09,  0.00)
175:     strbnd  ( -4.096,   7.781,   0.817)  ( -4.097,   7.781,   0.817)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.129,   0.136,   0.405)  (  0.129,   0.136,   0.407)  ( 0.00,  0.00,  0.05)
175:     oop     (  0.078,  -0.007,   0.518)  (  0.066,  -0.007,   0.445)  ( 0.09,  0.00,  3.76)
175:     vdw     ( 11.264,  -7.207,  -2.094)  ( 11.264,  -7.207,  -2.094)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.635,  -0.582,  -0.260)  ( -0.635,  -0.582,  -0.260)  ( 0.00,  0.00,  0.00)
175: 21       (  0.070,   0.058,   0.371)  (  0.080,  -0.012,   0.135)  ( 0.07,  0.40,  8.76)
175:     bond    (  7.503, -21.569,  13.282)  (  7.507, -21.565,  13.286)  ( 0.05,  0.02,  0.03)
175:     angle   ( -8.074,  14.944, -23.421)  ( -8.072,  14.947, -23.419)  ( 0.03,  0.01,  0.01)
175:     strbnd  (  2.250,   2.780,   1.796)  (  2.249,   2.779,   1.795)  ( 0.04,  0.04,  0.03)
175:     torsion ( -0.293,   1.133,   8.011)  ( -0.293,   1.133,   8.011)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.019,   0.274,   0.893)  ( -0.014,   0.200,   0.651)  ( 0.01,  2.04, 21.55)
175:     vdw     ( -0.617,   2.348,  -0.996)  ( -0.617,   2.348,  -0.996)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.681,   0.147,   0.808)  ( -0.681,   0.147,   0.808)  ( 0.00,  0.00,  0.00)
175: 22       (  0.335,  -0.174,   0.517)  (  0.341,  -0.168,   0.522)  ( 0.18,  0.10,  0.29)
175:     bond    ( 10.845,  -2.778,  -8.094)  ( 10.850,  -2.774,  -8.090)  ( 0.04,  0.15,  0.05)
175:     angle   ( -9.008,  -1.801,   6.507)  ( -9.006,  -1.799,   6.508)  ( 0.02,  0.10,  0.03)
175:     strbnd  (  0.507,  -2.141,   2.316)  (  0.507,  -2.141,   2.315)  ( 0.04,  0.02,  0.03)
175:     torsion (  0.379,   2.149,  -1.075)  (  0.379,   2.149,  -1.075)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.389,   4.398,   0.864)  ( -2.389,   4.398,   0.864)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       ( -0.056,  -0.173,  -0.298)  ( -0.051,  -0.167,  -0.292)  ( 0.03,  0.09,  0.18)
175:     bond    ( -9.863,  -5.250,   2.250)  ( -9.858,  -5.246,   2.255)  ( 0.04,  0.08,  0.21)
175:     angle   ( 12.507,   0.572,   0.600)  ( 12.509,   0.573,   0.602)  ( 0.02,  0.10,  0.10)
175:     strbnd  (  0.608,  -3.802,   1.723)  (  0.607,  -3.803,   1.722)  ( 0.05,  0.02,  0.03)
175:     torsion ( -1.338,   1.223,  -0.733)  ( -1.338,   1.223,  -0.733)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.970,   7.085,  -4.139)  ( -1.970,   7.085,  -4.139)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       (  0.006,  -0.005,   0.058)  (  0.012,   0.000,   0.060)  ( 0.00,  0.00,  0.02)
175:     bond    ( -0.866, -18.509,   3.882)  ( -0.862, -18.505,   3.887)  ( 0.40,  0.02,  0.12)
175:     angle   (  5.959,  26.024,  -8.109)  (  5.962,  26.026,  -8.108)  ( 0.04,  0.01,  0.02)
175:     strbnd  (-10.525,  -2.634,   0.562)  (-10.527,  -2.635,   0.562)  ( 0.02,  0.03,  0.02)
175:     torsion ( -0.876,  -1.089,   1.253)  ( -0.876,  -1.089,   1.253)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.001,   0.002,   0.014)  ( -0.000,   0.002,   0.010)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.349,  -4.597,   0.926)  (  2.349,  -4.597,   0.926)  ( 0.01,  0.00,  0.00)
175:     electro (  3.966,   0.797,   1.529)  (  3.966,   0.797,   1.529)  ( 0.00,  0.00,  0.00)
175: 25       ( -0.014,  -0.101,  -0.165)  ( -0.009,  -0.095,  -0.159)  ( 0.01,  0.06,  0.10)
175:     bond    ( -3.870,  12.275,  -0.924)  ( -3.866,  12.279,  -0.920)  ( 0.10,  0.03,  0.41)
175:     angle   ( -5.572, -18.333,   5.423)  ( -5.570, -18.330,   5.425)  ( 0.04,  0.01,  0.03)
175:     strbnd  ( -1.114,  -2.631,  -0.165)  ( -1.115,  -2.631,  -0.166)  ( 0.10,  0.02,  0.00)
175:     torsion (  3.318,  -0.490,  -3.647)  (  3.318,  -0.490,  -3.647)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.225,   9.078,  -0.852)  (  7.225,   9.078,  -0.852)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       ( -0.228,   0.018,   0.143)  ( -0.223,   0.024,   0.149)  ( 0.11,  0.01,  0.08)
175:     bond    (  4.426, -15.861,  -0.954)  (  4.429, -15.857,  -0.949)  ( 0.08,  0.03,  0.45)
175:     angle   ( -8.266,  12.873,  -7.689)  ( -8.264,  12.875,  -7.687)  ( 0.02,  0.02,  0.03)
175:     strbnd  (  1.193,   5.294,   4.137)  (  1.192,   5.293,   4.136)  ( 0.07,  0.01,  0.03)
175:     torsion ( -0.164,  -0.701,   3.652)  ( -0.164,  -0.701,   3.652)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.542,  -1.377,   0.272)  ( -0.542,  -1.377,   0.272)  ( 0.01,  0.00,  0.00)
175:     electro (  3.125,  -0.209,   0.725)  (  3.125,  -0.209,   0.725)  ( 0.00,  0.00,  0.00)
175: 27       ( -0.131,   0.200,   0.315)  ( -0.126,   0.205,   0.322)  ( 0.06,  0.11,  0.19)
175:     bond    ( -1.243,  14.723,   1.076)  ( -1.239,  14.727,   1.080)  ( 0.30,  0.03,  0.41)
175:     angle   ( -2.830, -11.271,   1.923)  ( -2.828, -11.269,   1.924)  ( 0.07,  0.02,  0.10)
175:     strbnd  (  1.105,  -0.095,   0.631)  (  1.104,  -0.095,   0.630)  ( 0.10,  0.01,  0.02)
175:     torsion (  1.263,  -4.544,  -4.977)  (  1.263,  -4.544,  -4.977)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.574,   1.387,   1.663)  (  1.574,   1.387,   1.663)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 28       ( -0.164,   0.308,   0.056)  ( -0.159,   0.314,   0.060)  ( 0.08,  0.19,  0.03)
175:     bond    ( -2.953, -11.140,   2.764)  ( -2.949, -11.136,   2.768)  ( 0.12,  0.04,  0.15)
175:     angle   ( -6.707,  11.635,   3.591)  ( -6.705,  11.637,   3.594)  ( 0.03,  0.02,  0.06)
175:     strbnd  (  1.933,  -1.383,  -4.721)  (  1.932,  -1.383,  -4.722)  ( 0.05,  0.02,  0.03)
175:     torsion ( -0.767,   1.045,   0.680)  ( -0.767,   1.045,   0.680)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.685,  -1.579,   0.134)  ( -1.684,  -1.579,   0.134)  ( 0.01,  0.00,  0.00)
175:     electro ( 10.015,   1.730,  -2.393)  ( 10.015,   1.730,  -2.393)  ( 0.00,  0.00,  0.00)
175: 29       ( -0.089,   0.132,  -0.028)  ( -0.179,   0.268,   0.043)  ( 0.80,  1.80,  0.20)
175:     bond    ( -3.268,   7.249,   5.605)  ( -3.264,   7.254,   5.609)  ( 0.11,  0.06,  0.08)
175:     angle   (  1.228,  -5.262,  -5.708)  (  1.229,  -5.261,  -5.706)  ( 0.14,  0.03,  0.04)
175:     strbnd  ( -1.075,   1.910,   2.578)  ( -1.075,   1.910,   2.578)  ( 0.06,  0.02,  0.02)
175:     torsion ( -1.983,  -2.819,  -0.108)  ( -1.983,  -2.819,  -0.108)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.919,  -1.262,  -0.629)  (  0.825,  -1.132,  -0.564)  ( 8.72, 10.33,  4.10)
175:     vdw     (  3.898,  -0.356,  -3.193)  (  3.898,  -0.356,  -3.193)  ( 0.00,  0.00,  0.00)
175:     electro (  0.191,   0.672,   1.426)  (  0.191,   0.672,   1.426)  ( 0.00,  0.00,  0.00)
175: 30       ( -1.041,   1.402,   0.516)  ( -0.321,   0.483,   0.053)  (69.21, 65.53, 23.86)
175:     bond    ( -1.273,  -3.810,   6.037)  ( -1.269,  -3.807,   6.047)  ( 0.30,  0.07,  0.16)
175:     angle   (  1.224,   1.913,   5.350)  (  1.225,   1.914,   5.352)  ( 0.15,  0.07,  0.03)
175:     strbnd  ( -1.468,   0.550,  -3.069)  ( -1.469,   0.549,  -3.071)  ( 0.07,  0.04,  0.07)
175:     torsion ( -0.091,   0.173,   0.599)  ( -0.091,   0.173,   0.599)  ( 0.00,  0.00,  0.00)
175:     oop     ( -3.638,   4.815,   2.435)  ( -2.922,   3.893,   1.963)  (19.69, 19.15, 19.39)
175:     vdw     (  6.948,  -1.148,  -6.767)  (  6.948,  -1.148,  -6.767)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.744,  -1.090,  -4.069)  ( -2.744,  -1.090,  -4.069)  ( 0.00,  0.00,  0.00)
175: 31       (  0.881,  -1.368,  -1.069)  (  0.567,  -0.962,  -0.854)  (27.76, 29.71, 20.14)
175:     bond    (  0.058,   0.328,  -0.551)  (  0.058,   0.330,  -0.546)  ( 0.00,  0.06,  0.28)
175:     angle   ( -2.127,  -1.116,  -0.901)  ( -2.127,  -1.116,  -0.901)  ( 0.03,  0.02,  0.01)
175:     strbnd  ( -0.372,  -0.811,   1.064)  ( -0.372,  -0.811,   1.064)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.357,  -0.491,  -0.258)  (  0.357,  -0.491,  -0.258)  ( 0.00,  0.00,  0.00)
175:     oop     (  1.362,  -1.784,  -0.930)  (  1.047,  -1.380,  -0.720)  (23.18, 22.66, 19.55)
175:     vdw     (  3.653,   3.015,  -1.101)  (  3.653,   3.015,  -1.101)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.050,  -0.510,   1.609)  ( -2.050,  -0.510,   1.609)  ( 0.00,  0.00,  0.00)
175: 32       ( -0.790,   1.265,   0.167)  ( -1.091,   1.654,   0.369)  (23.83, 30.79,  3.37)
175:     bond    ( -3.495,  -0.110,  -5.185)  ( -3.493,  -0.110,  -5.181)  ( 0.06,  0.00,  0.09)
175:     angle   (  0.338,   0.315,  -0.235)  (  0.339,   0.316,  -0.235)  ( 0.01,  0.02,  0.00)
175:     strbnd  (  0.426,  -0.497,   1.754)  (  0.426,  -0.497,   1.754)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.160,   0.219,   0.103)  ( -0.160,   0.219,   0.103)  ( 0.00,  0.00,  0.00)
175:     oop     (  1.355,  -1.770,  -0.876)  (  1.050,  -1.382,  -0.679)  (22.48, 21.97, 17.28)
175:     vdw     (  8.930,   2.395,  -1.527)  (  8.930,   2.395,  -1.527)  ( 0.00,  0.00,  0.00)
175:     electro ( -8.183,   0.713,   6.132)  ( -8.183,   0.713,   6.132)  ( 0.00,  0.00,  0.00)
175: 33       ( -0.924,   0.360,  -0.139)  ( -0.923,   0.367,  -0.135)  ( 0.06,  0.24,  0.05)
175:     bond    ( -0.019,  -1.678,  -1.610)  ( -0.019,  -1.671,  -1.608)  ( 0.00,  0.37,  0.18)
175:     angle   (  8.749,  -2.680,   5.549)  (  8.750,  -2.680,   5.550)  ( 0.01,  0.01,  0.02)
175:     strbnd  (  0.282,  -2.395,  -3.567)  (  0.282,  -2.395,  -3.567)  ( 0.00,  0.00,  0.01)
175:     torsion ( -0.756,   0.926,  -0.619)  ( -0.756,   0.926,  -0.619)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.059,   4.362,   2.702)  (  2.059,   4.362,   2.702)  ( 0.01,  0.00,  0.00)
175:     electro (-11.239,   1.825,  -2.594)  (-11.239,   1.825,  -2.594)  ( 0.00,  0.00,  0.00)
175: 34       (  0.039,   0.551,   0.057)  (  0.045,   0.552,   0.061)  ( 0.02,  0.04,  0.02)
175:     bond    ( 13.740,   3.045, -11.264)  ( 13.745,   3.046, -11.261)  ( 0.04,  0.01,  0.03)
175:     angle   (  3.434,  -0.862,  -3.531)  (  3.435,  -0.861,  -3.530)  ( 0.02,  0.04,  0.03)
175:     strbnd  ( -0.868,  -0.657,   2.046)  ( -0.868,  -0.658,   2.046)  ( 0.01,  0.00,  0.02)
175:     torsion ( -0.397,   0.278,   0.129)  ( -0.397,   0.278,   0.129)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.894,   2.781,   6.709)  ( -1.894,   2.781,   6.709)  ( 0.01,  0.00,  0.00)
175:     electro (-13.976,  -4.035,   5.969)  (-13.976,  -4.035,   5.969)  ( 0.00,  0.00,  0.00)
175: 35       (  0.215,  -0.454,  -0.523)  (  0.219,  -0.455,  -0.518)  ( 0.09,  0.03,  0.24)
175:     bond    (  2.204,  -0.030,  -0.236)  (  2.207,  -0.030,  -0.236)  ( 0.17,  0.00,  0.00)
175:     angle   ( -0.031,  -0.619,  -0.215)  ( -0.031,  -0.619,  -0.215)  ( 0.00,  0.04,  0.00)
175:     strbnd  ( -0.630,  -0.117,   0.028)  ( -0.630,  -0.117,   0.028)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.041,   0.142,  -0.401)  ( -0.041,   0.142,  -0.401)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.003,   0.009,  -0.025)  ( -0.002,   0.007,  -0.021)  ( 0.00,  0.00,  0.01)
175:     vdw     ( -0.755,   0.010,   0.078)  ( -0.755,   0.010,   0.078)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.529,   0.151,   0.248)  ( -0.529,   0.151,   0.248)  ( 0.00,  0.00,  0.00)
175: 36       (  0.007,  -0.633,   0.684)  (  0.009,  -0.633,   0.694)  ( 0.00,  0.02,  0.66)
175:     bond    (  1.008,  -1.858,  -0.711)  (  1.009,  -1.855,  -0.710)  ( 0.08,  0.14,  0.03)
175:     angle   ( -0.810,  -0.409,  -0.083)  ( -0.810,  -0.408,  -0.083)  ( 0.04,  0.01,  0.00)
175:     strbnd  ( -0.164,   0.654,   0.244)  ( -0.164,   0.654,   0.244)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.047,  -0.195,   0.576)  (  0.047,  -0.195,   0.577)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.004,   0.018,  -0.054)  ( -0.003,   0.015,  -0.045)  ( 0.00,  0.01,  0.05)
175:     vdw     ( -0.412,   0.629,   0.244)  ( -0.412,   0.629,   0.244)  ( 0.00,  0.00,  0.00)
175:     electro (  0.342,   0.528,   0.467)  (  0.342,   0.528,   0.467)  ( 0.00,  0.00,  0.00)
175: 37       (  0.096,  -0.359,   0.906)  (  0.097,  -0.351,   0.890)  ( 0.00,  0.30,  1.47)
175:     bond    ( -1.065,  -1.705,  -0.491)  ( -1.064,  -1.702,  -0.491)  ( 0.09,  0.15,  0.01)
175:     angle   (  2.772,  -1.525,  -0.719)  (  2.772,  -1.525,  -0.719)  ( 0.02,  0.01,  0.00)
175:     strbnd  (  0.823,   1.075,   0.277)  (  0.823,   1.075,   0.277)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.096,  -0.361,   1.046)  (  0.096,  -0.361,   1.046)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.009,  -0.035,   0.104)  (  0.007,  -0.030,   0.087)  ( 0.00,  0.02,  0.17)
175:     vdw     ( -4.611,   3.272,  -0.769)  ( -4.611,   3.272,  -0.769)  ( 0.00,  0.00,  0.00)
175:     electro (  2.074,  -1.079,   1.460)  (  2.074,  -1.079,   1.460)  ( 0.00,  0.00,  0.00)
175: 38       (  0.416,   0.331,  -1.341)  (  0.421,   0.315,  -1.283)  ( 0.22,  0.54,  4.33)
175:     bond    ( -0.610,   1.154,   0.431)  ( -0.609,   1.156,   0.432)  ( 0.05,  0.23,  0.02)
175:     angle   (  2.171,   1.091,   0.140)  (  2.172,   1.091,   0.140)  ( 0.03,  0.01,  0.00)
175:     strbnd  (  0.292,  -0.874,  -0.249)  (  0.292,  -0.874,  -0.249)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.070,   0.364,  -1.074)  ( -0.070,   0.364,  -1.074)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.025,   0.116,  -0.346)  ( -0.021,   0.097,  -0.289)  ( 0.01,  0.22,  1.99)
175:     vdw     ( -0.968,  -2.087,  -0.646)  ( -0.967,  -2.087,  -0.646)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.374,   0.569,   0.403)  ( -0.374,   0.569,   0.403)  ( 0.00,  0.00,  0.00)
175: 39       (  0.380,   0.037,  -1.541)  (  0.383,   0.036,  -1.529)  ( 0.11,  0.00,  0.79)
175:     bond    (  1.161,   1.766,   0.453)  (  1.162,   1.769,   0.453)  ( 0.09,  0.14,  0.01)
175:     angle   (  0.496,  -0.284,  -0.165)  (  0.497,  -0.284,  -0.165)  ( 0.02,  0.00,  0.00)
175:     strbnd  ( -0.428,  -0.962,  -0.256)  ( -0.428,  -0.962,  -0.256)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.154,   0.452,  -1.372)  ( -0.154,   0.452,  -1.372)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.008,   0.023,  -0.071)  ( -0.007,   0.019,  -0.059)  ( 0.00,  0.01,  0.08)
175:     vdw     ( -0.423,  -0.628,  -0.165)  ( -0.423,  -0.628,  -0.165)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.264,  -0.330,   0.035)  ( -0.264,  -0.330,   0.035)  ( 0.00,  0.00,  0.00)
175: 40       ( -0.101,   0.325,   0.544)  ( -0.076,   0.526,   0.340)  ( 0.26,  6.53, 11.09)
175:     bond    (  1.250,  -2.067,  -1.848)  (  1.251,  -2.065,  -1.846)  ( 0.07,  0.11,  0.10)
175:     angle   ( -6.227,  -1.125,  -2.962)  ( -6.226,  -1.124,  -2.961)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -0.245,  -0.553,  -0.380)  ( -0.245,  -0.553,  -0.380)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.954,  -0.617,   2.015)  (  1.954,  -0.617,   2.015)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.207,  -1.458,   1.491)  ( -0.183,  -1.260,   1.285)  ( 0.50, 13.62, 13.81)
175:     vdw     ( -0.907,   0.415,  -2.870)  ( -0.907,   0.416,  -2.870)  ( 0.01,  0.00,  0.00)
175:     electro (  4.281,   5.730,   5.098)  (  4.281,   5.730,   5.098)  ( 0.00,  0.00,  0.00)
175: 41       (  0.150,  -0.326,  -1.122)  (  0.156,  -0.330,  -1.156)  ( 0.09,  0.11,  3.09)
175:     bond    (  1.745,  -1.007,   0.287)  (  1.748,  -1.006,   0.287)  ( 0.17,  0.10,  0.00)
175:     angle   (  0.464,   0.801,  -0.015)  (  0.464,   0.801,  -0.015)  ( 0.01,  0.05,  0.00)
175:     strbnd  (  0.646,   0.353,  -0.007)  (  0.646,   0.352,  -0.007)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.413,  -0.701,  -4.980)  (  0.413,  -0.701,  -4.980)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.012,   0.022,   0.147)  ( -0.009,   0.017,   0.112)  ( 0.00,  0.01,  0.51)
175:     vdw     ( -2.888,  -0.070,   2.547)  ( -2.888,  -0.069,   2.547)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.219,   0.276,   0.899)  ( -0.219,   0.276,   0.899)  ( 0.00,  0.00,  0.00)
175: 42       ( -0.022,   0.418,   1.179)  ( -0.018,   0.419,   1.187)  ( 0.01,  0.04,  0.61)
175:     bond    ( -1.375,   0.917,   0.310)  ( -1.372,   0.918,   0.310)  ( 0.19,  0.11,  0.00)
175:     angle   (  3.321,   4.944,   0.058)  (  3.321,   4.944,   0.059)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -1.480,   0.664,   0.304)  ( -1.480,   0.664,   0.304)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.662,   0.518,  -4.465)  ( -0.662,   0.518,  -4.465)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.006,   0.005,  -0.042)  ( -0.005,   0.004,  -0.035)  ( 0.00,  0.00,  0.03)
175:     vdw     ( -0.590,  -7.239,   3.112)  ( -0.590,  -7.239,   3.112)  ( 0.00,  0.00,  0.00)
175:     electro (  0.772,   0.610,   1.902)  (  0.772,   0.610,   1.902)  ( 0.00,  0.00,  0.00)
175: 43       ( -0.711,   0.449,   1.668)  ( -0.708,   0.450,   1.671)  ( 0.25,  0.04,  0.19)
175:     bond    (  1.870,   0.804,  -0.109)  (  1.873,   0.804,  -0.109)  ( 0.17,  0.05,  0.00)
175:     angle   ( -0.221,   0.524,   0.072)  ( -0.221,   0.524,   0.072)  ( 0.00,  0.03,  0.00)
175:     strbnd  ( -1.440,  -0.145,   0.136)  ( -1.440,  -0.145,   0.136)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.118,  -0.120,   1.139)  (  0.118,  -0.120,   1.139)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.002,   0.002,  -0.018)  ( -0.002,   0.002,  -0.015)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.750,  -0.350,   0.003)  ( -0.750,  -0.350,   0.003)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.286,  -0.265,   0.445)  ( -0.286,  -0.265,   0.445)  ( 0.00,  0.00,  0.00)
175: 44       ( -1.146,   0.069,   0.778)  ( -1.144,   0.072,   0.786)  ( 0.13,  0.02,  0.61)
175:     bond    (  0.202,   1.622,   0.146)  (  0.202,   1.625,   0.146)  ( 0.00,  0.23,  0.00)
175:     angle   ( -1.147,   0.132,   0.122)  ( -1.147,   0.132,   0.122)  ( 0.06,  0.00,  0.00)
175:     strbnd  ( -0.299,  -0.281,   0.005)  ( -0.299,  -0.281,   0.005)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.051,  -0.056,   0.548)  (  0.051,  -0.056,   0.549)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.004,   0.004,  -0.044)  ( -0.004,   0.004,  -0.036)  ( 0.00,  0.00,  0.03)
175:     vdw     ( -0.104,  -0.746,  -0.073)  ( -0.104,  -0.746,  -0.073)  ( 0.00,  0.00,  0.00)
175:     electro (  0.156,  -0.607,   0.072)  (  0.156,  -0.607,   0.072)  ( 0.00,  0.00,  0.00)
175: 45       ( -0.998,  -0.419,  -0.572)  ( -0.996,  -0.416,  -0.587)  ( 0.13,  0.13,  0.80)
175:     bond    ( -2.026,   1.473,   0.312)  ( -2.024,   1.474,   0.312)  ( 0.12,  0.09,  0.00)
175:     angle   ( -0.884,  -1.211,  -0.011)  ( -0.883,  -1.211,  -0.011)  ( 0.02,  0.04,  0.00)
175:     strbnd  (  0.669,   0.039,  -0.071)  (  0.669,   0.039,  -0.071)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.083,   0.075,  -0.891)  ( -0.083,   0.075,  -0.891)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.008,  -0.007,   0.085)  (  0.007,  -0.006,   0.071)  ( 0.00,  0.00,  0.12)
175:     vdw     (  0.563,  -0.681,  -0.091)  (  0.563,  -0.681,  -0.091)  ( 0.00,  0.00,  0.00)
175:     electro (  0.755,  -0.106,   0.094)  (  0.755,  -0.106,   0.094)  ( 0.00,  0.00,  0.00)
175: 46       ( -0.462,  -0.436,  -1.022)  ( -0.460,  -0.433,  -1.035)  ( 0.08,  0.10,  1.34)
175:     bond    ( -1.548,  -0.548,   0.144)  ( -1.545,  -0.547,   0.145)  ( 0.21,  0.02,  0.00)
175:     angle   ( -2.690,   7.839,   0.924)  ( -2.690,   7.840,   0.924)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  2.263,   1.431,  -0.188)  (  2.263,   1.431,  -0.188)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.041,   0.010,  -0.399)  ( -0.041,   0.010,  -0.398)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.011,  -0.007,   0.092)  (  0.009,  -0.006,   0.078)  ( 0.00,  0.00,  0.13)
175:     vdw     (  2.373, -10.506,  -1.864)  (  2.373, -10.506,  -1.864)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.829,   1.345,   0.268)  ( -0.829,   1.345,   0.268)  ( 0.00,  0.00,  0.00)
175: 47       ( -0.364,   0.001,   0.224)  ( -0.363,   0.002,   0.227)  ( 0.04,  0.00,  0.06)
175:     bond    (  2.065,   0.651,   4.277)  (  2.066,   0.651,   4.280)  ( 0.03,  0.01,  0.06)
175:     angle   ( -1.189,   0.877,   0.440)  ( -1.189,   0.878,   0.440)  ( 0.04,  0.06,  0.01)
175:     strbnd  ( -1.004,  -2.559,  -2.464)  ( -1.004,  -2.559,  -2.464)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.081,   1.012,  -0.193)  (  0.081,   1.012,  -0.193)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.317,   0.020,  -1.836)  ( -0.317,   0.020,  -1.835)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 48       (  0.158,   0.208,   0.381)  (  0.161,   0.209,   0.382)  ( 0.05,  0.03,  0.02)
175:     bond    ( -1.345,  -0.662,  -0.174)  ( -1.342,  -0.661,  -0.174)  ( 0.21,  0.04,  0.00)
175:     angle   (  2.482,  -5.347,   1.171)  (  2.482,  -5.347,   1.171)  ( 0.00,  0.01,  0.04)
175:     strbnd  ( -0.569,  -0.838,  -0.623)  ( -0.569,  -0.838,  -0.623)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.479,  -1.375,   1.531)  (  0.479,  -1.375,   1.531)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.889,   8.429,  -1.524)  ( -0.889,   8.429,  -1.524)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 49       (  0.370,  -0.684,   0.437)  (  0.371,  -0.684,   0.441)  ( 0.03,  0.03,  0.14)
175:     bond    ( -0.186,   0.025,  -0.685)  ( -0.186,   0.025,  -0.682)  ( 0.00,  0.00,  0.22)
175:     angle   (  1.336,  -2.129,  -0.442)  (  1.336,  -2.128,  -0.442)  ( 0.04,  0.02,  0.00)
175:     strbnd  (  0.611,  -0.262,  -0.310)  (  0.611,  -0.262,  -0.310)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.104,  -0.201,   0.021)  ( -0.104,  -0.201,   0.021)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.287,   1.882,   1.854)  ( -1.287,   1.882,   1.854)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 50       (  0.588,   0.088,   1.012)  (  0.589,   0.092,   1.013)  ( 0.04,  0.03,  0.07)
175:     bond    (  0.403,  -2.471,   0.627)  (  0.403,  -2.468,   0.627)  ( 0.00,  0.12,  0.01)
175:     angle   (  5.516,   0.699,  -0.794)  (  5.517,   0.699,  -0.793)  ( 0.01,  0.00,  0.04)
175:     strbnd  (  0.314,   1.208,  -0.817)  (  0.314,   1.208,  -0.817)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.531,  -0.207,  -0.474)  ( -0.531,  -0.207,  -0.474)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.114,   0.860,   2.470)  ( -5.114,   0.860,   2.470)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 51       ( -0.316,  -0.193,  -0.505)  ( -0.315,  -0.192,  -0.503)  ( 0.06,  0.02,  0.10)
175:     bond    (  0.716,  -0.298,  -0.826)  (  0.717,  -0.297,  -0.824)  ( 0.10,  0.01,  0.15)
175:     angle   (  1.189,  -5.329,   2.958)  (  1.189,  -5.328,   2.959)  ( 0.03,  0.01,  0.01)
175:     strbnd  ( -0.047,  -0.589,  -0.422)  ( -0.047,  -0.589,  -0.422)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.936,  -0.735,   1.080)  (  0.936,  -0.735,   1.080)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.110,   6.758,  -3.296)  ( -3.110,   6.758,  -3.296)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 52       ( -0.101,  -0.092,  -0.176)  ( -0.100,  -0.090,  -0.175)  ( 0.01,  0.02,  0.01)
175:     bond    (  1.134,  -2.431,   0.852)  (  1.134,  -2.428,   0.852)  ( 0.05,  0.10,  0.03)
175:     angle   ( -3.696,  -1.139,   1.674)  ( -3.696,  -1.138,   1.675)  ( 0.01,  0.01,  0.03)
175:     strbnd  ( -1.209,   1.211,  -0.450)  ( -1.209,   1.211,  -0.450)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.018,   0.060,   0.194)  ( -0.018,   0.060,   0.194)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.689,   2.206,  -2.447)  (  3.689,   2.206,  -2.447)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 53       (  0.304,  -0.091,  -0.474)  (  0.305,  -0.090,  -0.471)  ( 0.04,  0.01,  0.12)
175:     bond    ( -0.341,  -0.134,  -0.569)  ( -0.341,  -0.134,  -0.567)  ( 0.03,  0.00,  0.14)
175:     angle   (  0.912,  -4.148,   0.434)  (  0.913,  -4.147,   0.434)  ( 0.03,  0.01,  0.01)
175:     strbnd  ( -0.362,  -0.327,   0.331)  ( -0.362,  -0.327,   0.331)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.427,  -0.471,  -0.145)  (  0.427,  -0.471,  -0.145)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.333,   4.990,  -0.524)  ( -0.333,   4.990,  -0.524)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 54       (  0.047,   0.327,   0.213)  (  0.048,   0.328,   0.216)  ( 0.00,  0.04,  0.06)
175:     bond    (  0.044,   0.448,  -1.022)  (  0.044,   0.449,  -1.019)  ( 0.00,  0.02,  0.28)
175:     angle   ( -5.073,   4.709,   1.855)  ( -5.072,   4.710,   1.855)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -0.688,  -1.108,  -0.508)  ( -0.688,  -1.108,  -0.508)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.301,   0.513,   0.239)  (  0.301,   0.513,   0.239)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.463,  -4.236,  -0.352)  (  5.463,  -4.236,  -0.352)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 55       ( -0.139,  -0.301,   0.325)  ( -0.139,  -0.299,   0.327)  ( 0.01,  0.06,  0.06)
175:     bond    (  0.004,  -0.058,  -0.057)  (  0.004,  -0.056,  -0.056)  ( 0.00,  0.01,  0.01)
175:     angle   ( -0.993,   1.847,  -1.929)  ( -0.992,   1.847,  -1.929)  ( 0.07,  0.01,  0.01)
175:     strbnd  ( -0.720,  -1.271,   0.377)  ( -0.720,  -1.271,   0.377)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.101,   0.125,  -0.120)  (  0.101,   0.125,  -0.120)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.469,  -0.945,   2.055)  (  1.469,  -0.944,   2.055)  ( 0.01,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 56       ( -0.037,  -0.300,  -0.241)  ( -0.036,  -0.299,  -0.238)  ( 0.00,  0.04,  0.06)
175:     bond    (  0.176,   1.777,  -3.219)  (  0.177,   1.777,  -3.216)  ( 0.00,  0.04,  0.08)
175:     angle   ( -1.373,  -1.962,  -1.160)  ( -1.373,  -1.962,  -1.159)  ( 0.05,  0.02,  0.01)
175:     strbnd  ( -0.304,   0.067,   1.171)  ( -0.304,   0.067,   1.171)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.378,   0.531,   0.218)  ( -1.378,   0.532,   0.218)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.841,  -0.714,   2.749)  (  2.842,  -0.714,   2.749)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 57       (  0.041,   0.148,  -0.296)  (  0.041,   0.150,  -0.294)  ( 0.00,  0.03,  0.06)
175:     bond    ( -0.135,   2.007,   2.146)  ( -0.135,   2.009,   2.147)  ( 0.00,  0.08,  0.08)
175:     angle   (  0.451,  -0.692,   0.675)  (  0.452,  -0.692,   0.675)  ( 0.03,  0.02,  0.02)
175:     strbnd  ( -0.177,  -0.030,  -0.939)  ( -0.177,  -0.030,  -0.939)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.075,  -0.300,   0.213)  ( -1.075,  -0.300,   0.213)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.976,  -0.838,  -2.392)  (  0.976,  -0.838,  -2.392)  ( 0.02,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 58       ( -0.254,   0.017,  -0.064)  ( -0.254,   0.019,  -0.062)  ( 0.02,  0.00,  0.02)
175:     bond    ( -0.040,  -1.500,   1.928)  ( -0.040,  -1.499,   1.930)  ( 0.00,  0.08,  0.11)
175:     angle   ( -1.136,   1.312,   0.995)  ( -1.135,   1.312,   0.995)  ( 0.05,  0.03,  0.02)
175:     strbnd  (  0.280,  -0.457,  -0.574)  (  0.280,  -0.457,  -0.574)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.158,   0.214,   0.170)  (  0.158,   0.214,   0.170)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.484,   0.449,  -2.583)  (  0.484,   0.449,  -2.583)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 59       ( -0.039,   0.371,   0.524)  ( -0.039,   0.373,   0.526)  ( 0.00,  0.07,  0.11)
175:     bond    (  0.250,   2.246,  -2.453)  (  0.250,   2.247,  -2.451)  ( 0.00,  0.07,  0.07)
175:     angle   ( -0.227,   0.092,   0.062)  ( -0.226,   0.092,   0.062)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.193,  -0.135,   1.231)  ( -0.193,  -0.135,   1.231)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.564,   2.085,   1.969)  (  0.564,   2.085,   1.969)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.433,  -3.917,  -0.285)  ( -0.433,  -3.917,  -0.285)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 60       ( -0.063,  -0.072,   0.504)  ( -0.062,  -0.071,   0.506)  ( 0.01,  0.01,  0.13)
175:     bond    (  0.260,   1.745,   3.031)  (  0.260,   1.746,   3.033)  ( 0.00,  0.05,  0.08)
175:     angle   (  3.751,  -1.603,   0.601)  (  3.752,  -1.603,   0.601)  ( 0.02,  0.02,  0.01)
175:     strbnd  ( -0.199,  -0.015,  -1.540)  ( -0.199,  -0.015,  -1.540)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.382,   1.853,  -0.948)  ( -1.382,   1.853,  -0.948)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.493,  -2.052,  -0.640)  ( -2.493,  -2.052,  -0.640)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 61       ( -0.281,   0.189,  -0.034)  ( -0.280,   0.192,  -0.033)  ( 0.02,  0.06,  0.00)
175:     bond    (  0.133,  -2.004,   0.580)  (  0.133,  -2.001,   0.581)  ( 0.00,  0.15,  0.02)
175:     angle   (  0.076,  -0.444,  -1.547)  (  0.077,  -0.444,  -1.546)  ( 0.00,  0.00,  0.04)
175:     strbnd  ( -0.121,  -0.013,   0.295)  ( -0.121,  -0.013,   0.295)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.940,   0.033,  -0.103)  (  0.940,   0.033,  -0.103)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.309,   2.616,   0.740)  ( -1.309,   2.616,   0.740)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 62       ( -0.037,   0.359,   0.037)  ( -0.037,   0.362,   0.038)  ( 0.00,  0.10,  0.00)
175:     bond    ( -0.580,   1.889,  -0.905)  ( -0.580,   1.891,  -0.905)  ( 0.01,  0.13,  0.05)
175:     angle   ( -0.273,   0.763,   1.769)  ( -0.273,   0.763,   1.769)  ( 0.01,  0.01,  0.02)
175:     strbnd  ( -0.325,   0.488,   0.279)  ( -0.325,   0.488,   0.279)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.294,   0.792,   0.827)  (  1.294,   0.792,   0.827)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.153,  -3.573,  -1.933)  ( -0.153,  -3.573,  -1.933)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 63       ( -0.297,   0.195,   0.097)  ( -0.296,   0.196,   0.100)  ( 0.03,  0.01,  0.03)
175:     bond    (  0.610,   0.315,   1.633)  (  0.610,   0.315,   1.636)  ( 0.02,  0.00,  0.18)
175:     angle   ( -1.418,   1.386,   0.261)  ( -1.418,   1.387,   0.261)  ( 0.03,  0.03,  0.00)
175:     strbnd  ( -0.282,   0.382,   0.365)  ( -0.282,   0.382,   0.365)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.426,   0.990,  -0.350)  (  0.426,   0.990,  -0.350)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.367,  -2.878,  -1.812)  (  0.367,  -2.878,  -1.812)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 64       (  5.704,  -0.249,   0.138)  (  5.704,  -0.244,   0.139)  ( 0.00,  0.13,  0.01)
175:     bond    (  0.052,   0.524,  -0.141)  (  0.052,   0.529,  -0.141)  ( 0.00,  0.27,  0.01)
175:     angle   (  0.150,  -0.836,  -3.088)  (  0.150,  -0.836,  -3.088)  ( 0.00,  0.00,  0.02)
175:     strbnd  ( -0.049,  -0.575,   0.050)  ( -0.049,  -0.575,   0.050)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.430,  -0.034,   0.030)  (  0.430,  -0.034,   0.030)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.052,   1.173,   1.899)  (  0.052,   1.173,   1.900)  ( 0.00,  0.00,  0.00)
175:     electro (  5.069,  -0.500,   1.387)  (  5.069,  -0.500,   1.387)  ( 0.00,  0.00,  0.00)
175: 65       ( -0.114,   0.570,  -0.149)  ( -0.109,   0.571,  -0.148)  ( 0.06,  0.02,  0.01)
175:     bond    (-17.085,  -2.760,   0.383)  (-17.080,  -2.760,   0.384)  ( 0.03,  0.01,  0.00)
175:     angle   (  0.082,  -0.169,   2.424)  (  0.082,  -0.169,   2.425)  ( 0.00,  0.00,  0.02)
175:     strbnd  (  0.390,   0.135,  -0.958)  (  0.390,   0.135,  -0.958)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.084,   0.524,   0.039)  ( -0.084,   0.524,   0.039)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.216,   1.133,   7.265)  ( -1.216,   1.133,   7.265)  ( 0.00,  0.00,  0.00)
175:     electro ( 17.799,   1.709,  -9.304)  ( 17.799,   1.709,  -9.304)  ( 0.00,  0.00,  0.00)
175: ok 14 # gradients 
175: ok 15 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( -1.689,  29.086,  12.210)  ( -1.711,  29.002,  12.363)  ( 1.27,  0.29,  1.25)
175:     bond    (-17.707,   8.335,   2.191)  (-17.700,   8.340,   2.193)  ( 0.04,  0.06,  0.09)
175:     angle   ( 17.323,  25.618,  18.944)  ( 17.325,  25.620,  18.945)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -1.493,  -7.945,  -5.133)  ( -1.494,  -7.946,  -5.134)  ( 0.06,  0.01,  0.00)
175:     torsion (  0.601,   2.014,  -3.362)  (  0.601,   2.014,  -3.362)  ( 0.00,  0.01,  0.02)
175:     oop     (  0.117,   0.376,  -0.635)  (  0.088,   0.286,  -0.485)  ( 0.35,  3.38,  9.52)
175:     vdw     ( -0.601,  -0.190,  -0.199)  ( -0.601,  -0.190,  -0.199)  ( 0.00,  0.00,  0.00)
175:     electro (  0.071,   0.878,   0.403)  (  0.071,   0.878,   0.403)  ( 0.00,  0.00,  0.00)
175:  2       (-43.130,  -3.367,  -5.439)  (-43.097,  -3.287,  -5.559)  ( 0.08,  2.36,  2.20)
175:     bond    (-26.717,  -2.707,  -7.585)  (-26.711,  -2.702,  -7.583)  ( 0.02,  0.19,  0.02)
175:     angle   (-14.462,  -4.144,  -5.035)  (-14.460,  -4.143,  -5.035)  ( 0.01,  0.04,  0.01)
175:     strbnd  (  0.308,   7.811,   4.693)  (  0.308,   7.811,   4.693)  ( 0.01,  0.01,  0.01)
175:     torsion ( -0.735,  -2.026,   3.413)  ( -0.735,  -2.026,   3.414)  ( 0.00,  0.02,  0.03)
175:     oop     ( -0.154,  -0.448,   0.744)  ( -0.128,  -0.375,   0.621)  ( 0.40,  3.28,  9.11)
175:     vdw     ( -1.663,  -1.307,  -1.215)  ( -1.663,  -1.307,  -1.215)  ( 0.00,  0.00,  0.00)
175:     electro (  0.292,  -0.546,  -0.454)  (  0.292,  -0.546,  -0.454)  ( 0.00,  0.00,  0.00)
175:  3       ( 26.796,  24.803,  13.755)  ( 26.767,  24.702,  13.933)  ( 0.11,  0.40,  1.30)
175:     bond    ( 32.244,   7.181,  11.384)  ( 32.249,   7.186,  11.386)  ( 0.02,  0.06,  0.02)
175:     angle   ( -9.397,   6.895,   4.311)  ( -9.395,   6.897,   4.311)  ( 0.02,  0.02,  0.02)
175:     strbnd  (  5.047,   6.760,   5.135)  (  5.046,   6.759,   5.135)  ( 0.01,  0.01,  0.00)
175:     torsion (  1.173,   3.527,  -5.707)  (  1.173,   3.527,  -5.706)  ( 0.00,  0.01,  0.01)
175:     oop     (  0.194,   0.561,  -0.910)  (  0.158,   0.454,  -0.735)  ( 0.69,  5.96, 15.93)
175:     vdw     ( -2.822,   0.795,   0.719)  ( -2.822,   0.795,   0.719)  ( 0.00,  0.00,  0.00)
175:     electro (  0.358,  -0.916,  -1.176)  (  0.358,  -0.916,  -1.176)  ( 0.00,  0.00,  0.00)
175:  4       ( 30.208,   3.073,   6.213)  ( 30.219,   3.104,   6.463)  ( 0.04,  1.02,  4.03)
175:     bond    ( 44.923,   3.054,  10.850)  ( 44.929,   3.058,  10.852)  ( 0.01,  0.15,  0.02)
175:     angle   (-11.137,   3.853,   1.631)  (-11.135,   3.855,   1.632)  ( 0.02,  0.05,  0.04)
175:     strbnd  ( -0.803,  -4.122,  -2.305)  ( -0.804,  -4.123,  -2.306)  ( 0.08,  0.01,  0.01)
175:     torsion ( -0.049,  -0.229,  -1.535)  ( -0.049,  -0.229,  -1.535)  ( 0.00,  0.01,  0.05)
175:     oop     ( -0.023,  -0.118,  -0.821)  ( -0.020,  -0.093,  -0.574)  ( 0.01,  0.29, 20.32)
175:     vdw     ( -2.511,   0.309,  -1.489)  ( -2.511,   0.309,  -1.489)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.191,   0.327,  -0.117)  ( -0.191,   0.327,  -0.117)  ( 0.00,  0.00,  0.00)
175:  5       ( -7.948, -76.115, -41.479)  ( -7.959, -76.157, -41.393)  ( 0.13,  0.05,  0.21)
175:     bond    (  8.045, -42.089, -24.804)  (  8.052, -42.083, -24.802)  ( 0.09,  0.01,  0.01)
175:     angle   (-16.828, -30.092, -21.409)  (-16.826, -30.090, -21.409)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  5.512,  -1.560,   0.571)  (  5.511,  -1.560,   0.570)  ( 0.02,  0.01,  0.01)
175:     torsion ( -1.167,  -3.866,   6.122)  ( -1.167,  -3.866,   6.123)  ( 0.00,  0.01,  0.01)
175:     oop     (  0.067,   0.201,  -0.328)  (  0.049,   0.152,  -0.246)  ( 0.12,  0.98,  2.70)
175:     vdw     ( -3.591,   1.489,  -1.515)  ( -3.591,   1.489,  -1.515)  ( 0.00,  0.00,  0.00)
175:     electro (  0.014,  -0.198,  -0.115)  (  0.014,  -0.198,  -0.115)  ( 0.00,  0.00,  0.00)
175:  6       (-30.115,  -5.188,  10.096)  (-30.111,  -5.194,   9.573)  ( 0.01,  0.12,  5.18)
175:     bond    (-46.066,  -5.896,   0.687)  (-46.059,  -5.889,   0.688)  ( 0.01,  0.11,  0.01)
175:     angle   ( 11.582,  -5.904,   1.352)  ( 11.584,  -5.902,   1.352)  ( 0.02,  0.04,  0.01)
175:     strbnd  (  1.321,   5.298,   0.111)  (  1.319,   5.297,   0.111)  ( 0.08,  0.01,  0.00)
175:     torsion (  0.044,   1.140,   6.540)  (  0.044,   1.140,   6.541)  ( 0.00,  0.01,  0.02)
175:     oop     ( -0.012,   0.131,   2.561)  ( -0.015,   0.116,   2.037)  ( 0.00,  0.19, 20.47)
175:     vdw     (  2.802,   0.309,  -0.945)  (  2.802,   0.309,  -0.945)  ( 0.00,  0.00,  0.00)
175:     electro (  0.213,  -0.266,  -0.210)  (  0.213,  -0.266,  -0.210)  ( 0.00,  0.00,  0.00)
175:  7       ( 12.679,  86.994, -19.032)  ( 12.700,  86.952, -19.301)  ( 0.17,  0.05,  1.42)
175:     bond    ( -5.030,  48.598,  -6.009)  ( -5.023,  48.605,  -6.009)  ( 0.14,  0.01,  0.00)
175:     angle   ( 20.610,  38.351,  -5.278)  ( 20.612,  38.353,  -5.277)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -7.020,   1.621,  -1.168)  ( -7.021,   1.621,  -1.168)  ( 0.02,  0.02,  0.01)
175:     torsion (  0.098,  -1.110,  -6.501)  (  0.098,  -1.110,  -6.500)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.002,   0.211,   1.179)  (  0.015,   0.160,   0.909)  ( 0.00,  1.08, 22.95)
175:     vdw     (  4.021,  -0.905,  -1.238)  (  4.021,  -0.905,  -1.238)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.002,   0.227,  -0.017)  ( -0.002,   0.227,  -0.017)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.374, -32.479,   6.496)  ( -0.364, -32.472,   6.450)  ( 0.39,  0.02,  0.71)
175:     bond    ( 17.320,  -9.193,   0.193)  ( 17.327,  -9.187,   0.193)  ( 0.04,  0.07,  0.00)
175:     angle   (-21.343, -31.556,   3.930)  (-21.342, -31.553,   3.930)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  3.117,   8.773,  -0.540)  (  3.116,   8.771,  -0.540)  ( 0.03,  0.01,  0.00)
175:     torsion (  0.062,   0.254,   3.026)  (  0.062,   0.254,   3.027)  ( 0.00,  0.00,  0.04)
175:     oop     ( -0.019,  -0.027,  -0.085)  ( -0.016,  -0.028,  -0.132)  ( 0.00,  0.00,  0.40)
175:     vdw     (  0.599,   0.238,  -0.003)  (  0.599,   0.238,  -0.003)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.111,  -0.968,  -0.025)  ( -0.111,  -0.968,  -0.025)  ( 0.00,  0.00,  0.00)
175:  9       ( 44.803,   3.914,   2.819)  ( 44.806,   3.913,   2.731)  ( 0.01,  0.03,  3.12)
175:     bond    ( 27.504,   4.642,  -1.536)  ( 27.511,   4.648,  -1.536)  ( 0.02,  0.14,  0.00)
175:     angle   ( 15.991,   5.308,  -0.805)  ( 15.993,   5.309,  -0.804)  ( 0.01,  0.04,  0.01)
175:     strbnd  ( -0.547,  -8.870,   0.817)  ( -0.547,  -8.870,   0.817)  ( 0.03,  0.01,  0.00)
175:     torsion (  0.167,   0.437,   4.249)  (  0.167,   0.437,   4.250)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.027,   0.073,   0.647)  (  0.022,   0.064,   0.558)  ( 0.01,  0.07,  5.77)
175:     vdw     (  1.899,   1.622,  -0.325)  (  1.899,   1.622,  -0.325)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.238,   0.703,  -0.227)  ( -0.238,   0.703,  -0.227)  ( 0.00,  0.00,  0.00)
175: 10       (-30.928, -25.769,  -2.929)  (-30.914, -25.703,  -2.397)  ( 0.04,  0.25, 18.16)
175:     bond    (-33.338, -10.219,   2.044)  (-33.333, -10.213,   2.044)  ( 0.02,  0.06,  0.00)
175:     angle   (  5.728,  -6.663,   4.844)  (  5.730,  -6.662,   4.844)  ( 0.04,  0.03,  0.01)
175:     strbnd  ( -5.454,  -7.832,   0.921)  ( -5.455,  -7.833,   0.921)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.215,  -0.970,  -8.075)  ( -0.215,  -0.970,  -8.074)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.036,  -0.302,  -2.716)  ( -0.029,  -0.244,  -2.185)  ( 0.02,  1.75, 19.54)
175:     vdw     (  2.593,  -1.118,   0.786)  (  2.593,  -1.118,   0.786)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.206,   1.335,  -0.734)  ( -0.206,   1.335,  -0.734)  ( 0.00,  0.00,  0.00)
175: 11       (-26.673, -22.301,   4.179)  (-26.670, -22.313,   4.011)  ( 0.01,  0.05,  4.01)
175:     bond    ( -1.917,  -0.727,  -0.074)  ( -1.913,  -0.722,  -0.070)  ( 0.20,  0.32,  0.03)
175:     angle   (-29.136, -26.052,   2.735)  (-29.134, -26.050,   2.736)  ( 0.01,  0.01,  0.05)
175:     strbnd  (  4.010,   7.688,  -1.200)  (  4.009,   7.687,  -1.200)  ( 0.01,  0.02,  0.04)
175:     torsion (  0.015,   0.059,   0.642)  (  0.015,   0.059,   0.642)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.009,   0.064,   0.656)  (  0.007,   0.046,   0.483)  ( 0.00,  0.11, 11.35)
175:     vdw     (  0.354,  -2.969,   0.608)  (  0.354,  -2.969,   0.608)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.008,  -0.365,   0.812)  ( -0.008,  -0.365,   0.812)  ( 0.00,  0.00,  0.00)
175: 12       ( -2.353,   3.616,  -2.204)  ( -2.349,   3.623,  -2.134)  ( 0.16,  0.19,  3.21)
175:     bond    ( -1.203,  -0.681,   0.064)  ( -1.200,  -0.680,   0.064)  ( 0.25,  0.07,  0.00)
175:     angle   ( -3.337,   5.858,  -0.289)  ( -3.337,   5.858,  -0.289)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  0.884,  -1.534,   0.070)  (  0.884,  -1.534,   0.070)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.026,  -0.127,  -1.856)  ( -0.026,  -0.127,  -1.856)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.003,  -0.017,  -0.242)  ( -0.002,  -0.012,  -0.171)  ( 0.00,  0.01,  1.70)
175:     vdw     (  0.644,   0.265,  -0.021)  (  0.644,   0.265,  -0.021)  ( 0.00,  0.00,  0.00)
175:     electro (  0.688,  -0.147,   0.070)  (  0.688,  -0.147,   0.070)  ( 0.00,  0.00,  0.00)
175: 13       ( -2.636,  -4.315,  -0.527)  ( -2.633,  -4.310,  -0.502)  ( 0.12,  0.11,  1.28)
175:     bond    ( -1.376,   1.267,  -0.103)  ( -1.374,   1.269,  -0.103)  ( 0.15,  0.14,  0.00)
175:     angle   ( -4.815,  -5.170,   0.545)  ( -4.815,  -5.170,   0.545)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  1.880,   0.883,  -0.174)  (  1.880,   0.883,  -0.174)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.019,  -0.089,  -0.837)  ( -0.019,  -0.089,  -0.837)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.002,  -0.010,  -0.098)  ( -0.002,  -0.008,  -0.074)  ( 0.00,  0.00,  0.23)
175:     vdw     (  1.159,  -0.292,  -0.017)  (  1.159,  -0.292,  -0.017)  ( 0.00,  0.00,  0.00)
175:     electro (  0.537,  -0.904,   0.158)  (  0.537,  -0.904,   0.158)  ( 0.00,  0.00,  0.00)
175: 14       ( 26.387,  19.947,  15.099)  ( 26.412,  20.010,  15.009)  ( 0.09,  0.32,  0.60)
175:     bond    (  2.000,   0.807,   0.393)  (  2.004,   0.812,   0.397)  ( 0.19,  0.36,  0.17)
175:     angle   ( 29.017,  24.625,  15.667)  ( 29.019,  24.627,  15.669)  ( 0.01,  0.01,  0.01)
175:     strbnd  ( -3.684,  -7.464,  -4.429)  ( -3.685,  -7.465,  -4.430)  ( 0.02,  0.01,  0.02)
175:     torsion ( -0.089,  -0.284,   0.463)  ( -0.089,  -0.284,   0.463)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.074,  -0.220,   0.362)  ( -0.055,  -0.162,   0.267)  ( 0.14,  1.28,  3.46)
175:     vdw     ( -0.663,   2.502,   1.775)  ( -0.663,   2.502,   1.775)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.120,  -0.020,   0.867)  ( -0.120,  -0.020,   0.867)  ( 0.00,  0.00,  0.00)
175: 15       (  2.734,  -4.218,  -1.241)  (  2.755,  -4.158,  -1.336)  ( 0.79,  1.41,  7.69)
175:     bond    (  1.169,   0.545,   0.557)  (  1.172,   0.545,   0.558)  ( 0.23,  0.03,  0.03)
175:     angle   (  3.953,  -5.603,  -2.827)  (  3.953,  -5.602,  -2.827)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -0.998,   1.310,   0.666)  ( -0.998,   1.310,   0.666)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.049,  -0.169,   0.268)  ( -0.049,  -0.169,   0.269)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.064,  -0.204,   0.334)  ( -0.045,  -0.145,   0.237)  ( 0.12,  1.19,  3.22)
175:     vdw     ( -0.604,  -0.224,  -0.242)  ( -0.604,  -0.224,  -0.242)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.672,   0.127,   0.003)  ( -0.672,   0.127,   0.003)  ( 0.00,  0.00,  0.00)
175: 16       (  2.391,   3.742,   2.202)  (  2.389,   3.731,   2.224)  ( 0.08,  0.30,  0.99)
175:     bond    (  1.377,  -1.119,  -0.400)  (  1.379,  -1.118,  -0.400)  ( 0.16,  0.13,  0.01)
175:     angle   (  4.447,   4.280,   3.375)  (  4.447,   4.280,   3.375)  ( 0.01,  0.01,  0.01)
175:     strbnd  ( -1.774,  -0.686,  -0.825)  ( -1.774,  -0.686,  -0.825)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.054,   0.148,  -0.229)  (  0.054,   0.148,  -0.229)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.018,   0.053,  -0.087)  (  0.013,   0.040,  -0.065)  ( 0.01,  0.07,  0.18)
175:     vdw     ( -1.150,   0.297,  -0.072)  ( -1.149,   0.297,  -0.072)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.582,   0.770,   0.440)  ( -0.582,   0.770,   0.440)  ( 0.00,  0.00,  0.00)
175: 17       ( 12.700,  29.735,  18.160)  ( 12.714,  29.776,  18.099)  ( 0.11,  0.14,  0.34)
175:     bond    ( -3.169,  26.110,  15.008)  ( -3.169,  26.113,  15.009)  ( 0.01,  0.01,  0.01)
175:     angle   ( 14.067,   0.347,   2.366)  ( 14.068,   0.347,   2.366)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.226,   2.694,   1.435)  ( -0.226,   2.694,   1.435)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.187,   0.538,  -0.897)  (  0.187,   0.538,  -0.897)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.055,  -0.172,   0.287)  ( -0.042,  -0.134,   0.224)  ( 0.07,  0.65,  1.81)
175:     vdw     ( -0.563,  -0.467,  -0.562)  ( -0.563,  -0.467,  -0.562)  ( 0.00,  0.00,  0.00)
175:     electro (  2.460,   0.686,   0.523)  (  2.460,   0.686,   0.523)  ( 0.00,  0.00,  0.00)
175: 18       (-16.599, -32.980,  10.375)  (-16.606, -32.943,  10.559)  ( 0.04,  0.11,  1.78)
175:     bond    (  1.321, -29.709,   5.246)  (  1.321, -29.705,   5.247)  ( 0.01,  0.01,  0.01)
175:     angle   (-16.050,  -0.489,   1.274)  (-16.050,  -0.489,   1.274)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  0.072,  -3.233,   0.861)  (  0.072,  -3.233,   0.861)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.052,   0.751,   4.265)  ( -0.052,   0.751,   4.266)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.009,  -0.150,  -0.851)  (  0.001,  -0.118,  -0.667)  ( 0.01,  0.48, 15.66)
175:     vdw     (  0.603,   0.572,  -0.221)  (  0.603,   0.572,  -0.221)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.501,  -0.722,  -0.200)  ( -2.501,  -0.722,  -0.200)  ( 0.00,  0.00,  0.00)
175: 19       ( -9.549, -16.055,  -9.499)  ( -9.547, -16.054,  -9.498)  ( 0.02,  0.01,  0.01)
175:     bond    (  6.549,  -6.489,  -5.236)  (  6.550,  -6.488,  -5.235)  ( 0.02,  0.02,  0.02)
175:     angle   (-15.891, -11.333,  -5.837)  (-15.890, -11.333,  -5.837)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -1.046,   0.503,   0.436)  ( -1.046,   0.503,   0.436)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.839,   1.264,   1.139)  (  0.839,   1.264,   1.139)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       ( -6.872,  -6.628,  -8.449)  ( -6.870,  -6.627,  -8.448)  ( 0.02,  0.01,  0.02)
175:     bond    ( -7.287,   3.445,  -8.054)  ( -7.286,   3.445,  -8.052)  ( 0.02,  0.01,  0.02)
175:     angle   ( -1.156, -10.327,  -3.372)  ( -1.156, -10.326,  -3.372)  ( 0.02,  0.01,  0.01)
175:     strbnd  (  1.415,  -1.060,   1.430)  (  1.415,  -1.060,   1.430)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.156,   1.313,   1.547)  (  0.156,   1.313,   1.547)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 21       ( -5.154, -11.419,  -3.897)  ( -5.153, -11.418,  -3.895)  ( 0.02,  0.01,  0.04)
175:     bond    ( -5.951,  -7.142,   6.246)  ( -5.950,  -7.141,   6.247)  ( 0.02,  0.02,  0.02)
175:     angle   ( -0.744,  -6.990,  -8.698)  ( -0.743,  -6.990,  -8.698)  ( 0.02,  0.00,  0.01)
175:     strbnd  (  1.377,   1.441,  -1.809)  (  1.377,   1.441,  -1.809)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.163,   1.273,   0.365)  (  0.163,   1.273,   0.365)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       (  6.707,  14.950,  -4.095)  (  6.709,  14.951,  -4.094)  ( 0.04,  0.00,  0.03)
175:     bond    ( 10.180,   0.038,  -5.182)  ( 10.183,   0.038,  -5.181)  ( 0.02,  0.00,  0.01)
175:     angle   ( -0.643,  16.864,  -1.139)  ( -0.642,  16.864,  -1.139)  ( 0.01,  0.00,  0.03)
175:     strbnd  ( -2.565,   0.430,   1.327)  ( -2.565,   0.430,   1.327)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.266,  -2.382,   0.899)  ( -0.266,  -2.382,   0.899)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       (  7.712,   7.044,   4.929)  (  7.712,   7.045,   4.931)  ( 0.01,  0.01,  0.05)
175:     bond    (  2.115,   4.636,   9.930)  (  2.115,   4.637,   9.932)  ( 0.01,  0.01,  0.02)
175:     angle   (  6.274,   3.725,  -3.075)  (  6.274,   3.725,  -3.075)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -0.199,  -0.342,  -1.642)  ( -0.199,  -0.342,  -1.642)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.477,  -0.975,  -0.284)  ( -0.477,  -0.975,  -0.284)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       ( 10.798,  13.827,  -7.791)  ( 10.799,  13.829,  -7.790)  ( 0.01,  0.01,  0.02)
175:     bond    ( -5.076,   7.231,  -5.839)  ( -5.075,   7.232,  -5.838)  ( 0.01,  0.02,  0.02)
175:     angle   ( 15.920,   8.574,  -3.218)  ( 15.920,   8.575,  -3.218)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  0.876,  -0.556,   0.755)  (  0.876,  -0.556,   0.755)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.922,  -1.422,   0.511)  ( -0.922,  -1.422,   0.511)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 16 # gradients 
175: ok 17 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( 75.919,  23.900,  -8.357)  ( 75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
175:     bond    ( 43.256,   7.487, -14.578)  ( 43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
175:     angle   ( -0.077,   0.026,  -0.013)  ( -0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 27.650,   7.696,  -4.671)  ( 27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
175:     torsion ( -0.018,   0.018,   0.030)  ( -0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.004,   0.006,   0.012)  ( -0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.113,   8.667,  10.865)  (  5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  2       ( -0.007,  70.694, -37.613)  (  0.000,  70.701, -37.611)  ( 0.00,  0.01,  0.01)
175:     bond    ( -0.003,  34.123, -31.161)  (  0.000,  34.128, -31.160)  ( 0.00,  0.01,  0.00)
175:     angle   ( -0.002,   0.021,  -0.051)  (  0.000,   0.022,  -0.051)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -0.001,  24.741, -15.277)  (  0.000,  24.742, -15.276)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.007,  -0.022)  ( -0.000,  -0.006,  -0.021)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.005,  -0.010)  ( -0.000,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000,  11.821,   8.908)  (  0.000,  11.821,   8.908)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.007, -70.710, -37.613)  (  0.000, -70.701, -37.611)  ( 0.00,  0.01,  0.01)
175:     bond    ( -0.003, -34.133, -31.161)  (  0.000, -34.128, -31.160)  ( 0.00,  0.01,  0.00)
175:     angle   ( -0.002,  -0.024,  -0.051)  (  0.000,  -0.022,  -0.051)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -0.001, -24.743, -15.277)  (  0.000, -24.742, -15.276)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,   0.006,  -0.022)  (  0.000,   0.006,  -0.021)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,   0.005,  -0.010)  (  0.000,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000, -11.821,   8.908)  ( -0.000, -11.821,   8.908)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  4       ( 75.919, -23.913,  -8.357)  ( 75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
175:     bond    ( 43.256,  -7.494, -14.578)  ( 43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
175:     angle   ( -0.077,  -0.029,  -0.013)  ( -0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 27.650,  -7.698,  -4.671)  ( 27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
175:     torsion ( -0.018,  -0.018,   0.030)  ( -0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.004,  -0.006,   0.012)  ( -0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.113,  -8.667,  10.865)  (  5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       (-38.554,  47.292, -52.215)  (-38.549,  47.297, -52.209)  ( 0.01,  0.01,  0.01)
175:     bond    (-12.136,  26.876, -35.755)  (-12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
175:     angle   ( -0.007,   0.078,   0.012)  ( -0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
175:     strbnd  (-12.414,  17.157, -20.001)  (-12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.017,   0.014,  -0.020)  (  0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.005,   0.002,  -0.006)  (  0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-14.019,   3.164,   3.556)  (-14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  6       (-38.554, -47.306, -52.215)  (-38.549, -47.297, -52.209)  ( 0.01,  0.02,  0.01)
175:     bond    (-12.136, -26.884, -35.755)  (-12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
175:     angle   ( -0.007,  -0.081,   0.012)  ( -0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
175:     strbnd  (-12.414, -17.160, -20.001)  (-12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.017,  -0.014,  -0.020)  (  0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.005,  -0.002,  -0.006)  (  0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-14.019,  -3.165,   3.556)  (-14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  7       (-75.934,  23.900,  -8.357)  (-75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
175:     bond    (-43.264,   7.487, -14.578)  (-43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
175:     angle   (  0.075,   0.026,  -0.013)  (  0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
175:     strbnd  (-27.652,   7.696,  -4.671)  (-27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.017,   0.018,   0.030)  (  0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.004,   0.006,   0.012)  (  0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.113,   8.667,  10.865)  ( -5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  8       (-75.934, -23.913,  -8.357)  (-75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
175:     bond    (-43.264,  -7.494, -14.578)  (-43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
175:     angle   (  0.075,  -0.029,  -0.013)  (  0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
175:     strbnd  (-27.652,  -7.698,  -4.671)  (-27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.017,  -0.018,   0.030)  (  0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.004,  -0.006,   0.012)  (  0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.113,  -8.667,  10.865)  ( -5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       ( 47.292,  52.205,  38.542)  ( 47.297,  52.209,  38.549)  ( 0.01,  0.01,  0.02)
175:     bond    ( 26.876,  35.751,  12.130)  ( 26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
175:     angle   (  0.078,  -0.014,   0.005)  (  0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 17.157,  20.000,  12.412)  ( 17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.014,   0.019,  -0.017)  (  0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.002,   0.006,  -0.006)  (  0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.164,  -3.556,  14.019)  (  3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 10       (  8.348,  75.919,  23.900)  (  8.353,  75.928,  23.905)  ( 0.06,  0.01,  0.02)
175:     bond    ( 14.575,  43.256,   7.487)  ( 14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
175:     angle   (  0.011,  -0.077,   0.026)  (  0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  4.670,  27.650,   7.696)  (  4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.031,  -0.018,   0.018)  ( -0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.012,  -0.004,   0.006)  ( -0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-10.865,   5.113,   8.667)  (-10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 11       (  8.348, -75.934,  23.900)  (  8.353, -75.928,  23.905)  ( 0.06,  0.01,  0.02)
175:     bond    ( 14.575, -43.264,   7.487)  ( 14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
175:     angle   (  0.011,   0.075,   0.026)  (  0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  4.670, -27.652,   7.696)  (  4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.031,   0.017,   0.018)  ( -0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.012,   0.004,   0.006)  ( -0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-10.865,  -5.113,   8.667)  (-10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 12       ( 47.292, -52.215,  38.542)  ( 47.297, -52.209,  38.549)  ( 0.01,  0.01,  0.02)
175:     bond    ( 26.876, -35.755,  12.130)  ( 26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
175:     angle   (  0.078,   0.012,   0.005)  (  0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 17.157, -20.001,  12.412)  ( 17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.014,  -0.020,  -0.017)  (  0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.002,  -0.006,  -0.006)  (  0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.164,   3.556,  14.019)  (  3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       ( 52.205, -38.554, -47.306)  ( 52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
175:     bond    ( 35.751, -12.136, -26.884)  ( 35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
175:     angle   ( -0.014,  -0.007,  -0.081)  ( -0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( 20.000, -12.414, -17.160)  ( 20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.019,   0.017,  -0.014)  (  0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,   0.005,  -0.002)  (  0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.556, -14.019,  -3.165)  ( -3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 14       (-23.913,   8.348, -75.934)  (-23.905,   8.353, -75.928)  ( 0.03,  0.06,  0.01)
175:     bond    ( -7.494,  14.575, -43.264)  ( -7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
175:     angle   ( -0.029,   0.011,   0.075)  ( -0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -7.698,   4.670, -27.652)  ( -7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.018,  -0.031,   0.017)  ( -0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,  -0.012,   0.004)  ( -0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -8.667, -10.865,  -5.113)  ( -8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 15       ( 52.205, -38.554,  47.292)  ( 52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
175:     bond    ( 35.751, -12.136,  26.876)  ( 35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
175:     angle   ( -0.014,  -0.007,   0.078)  ( -0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( 20.000, -12.414,  17.157)  ( 20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.019,   0.017,   0.014)  (  0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,   0.005,   0.002)  (  0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.556, -14.019,   3.164)  ( -3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 16       (-70.710,  37.607,  -0.007)  (-70.701,  37.611,  -0.000)  ( 0.01,  0.01,  0.00)
175:     bond    (-34.133,  31.159,  -0.003)  (-34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
175:     angle   ( -0.024,   0.050,  -0.002)  ( -0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-24.743,  15.275,  -0.001)  (-24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.006,   0.020,  -0.000)  (  0.006,   0.021,  -0.000)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.005,   0.010,  -0.000)  (  0.005,   0.011,  -0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (-11.821,  -8.908,  -0.000)  (-11.821,  -8.908,  -0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 17       ( 38.542, -47.306, -52.215)  ( 38.549, -47.297, -52.209)  ( 0.02,  0.02,  0.01)
175:     bond    ( 12.130, -26.884, -35.755)  ( 12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
175:     angle   (  0.005,  -0.081,   0.012)  (  0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( 12.412, -17.160, -20.001)  ( 12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.017,  -0.014,  -0.020)  ( -0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,  -0.002,  -0.006)  ( -0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 14.019,  -3.165,   3.556)  ( 14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 18       (-47.306,  52.205,  38.542)  (-47.297,  52.209,  38.549)  ( 0.02,  0.01,  0.02)
175:     bond    (-26.884,  35.751,  12.130)  (-26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
175:     angle   ( -0.081,  -0.014,   0.005)  ( -0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
175:     strbnd  (-17.160,  20.000,  12.412)  (-17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.014,   0.019,  -0.017)  ( -0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.002,   0.006,  -0.006)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.165,  -3.556,  14.019)  ( -3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 19       (-23.913,   8.348,  75.919)  (-23.905,   8.353,  75.928)  ( 0.03,  0.06,  0.01)
175:     bond    ( -7.494,  14.575,  43.256)  ( -7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
175:     angle   ( -0.029,   0.011,  -0.077)  ( -0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -7.698,   4.670,  27.650)  ( -7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.018,  -0.031,  -0.018)  ( -0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,  -0.012,  -0.004)  ( -0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -8.667, -10.865,   5.113)  ( -8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       ( 23.900,   8.348, -75.934)  ( 23.905,   8.353, -75.928)  ( 0.02,  0.06,  0.01)
175:     bond    (  7.487,  14.575, -43.264)  (  7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
175:     angle   (  0.026,   0.011,   0.075)  (  0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  7.696,   4.670, -27.652)  (  7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.018,  -0.031,   0.017)  (  0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,  -0.012,   0.004)  (  0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.667, -10.865,  -5.113)  (  8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 21       ( 38.542,  47.292, -52.215)  ( 38.549,  47.297, -52.209)  ( 0.02,  0.01,  0.01)
175:     bond    ( 12.130,  26.876, -35.755)  ( 12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
175:     angle   (  0.005,   0.078,   0.012)  (  0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( 12.412,  17.157, -20.001)  ( 12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.017,   0.014,  -0.020)  ( -0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,   0.002,  -0.006)  ( -0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 14.019,   3.164,   3.556)  ( 14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       ( 37.607,  -0.007,  70.694)  ( 37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
175:     bond    ( 31.159,  -0.003,  34.123)  ( 31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
175:     angle   (  0.050,  -0.002,   0.021)  (  0.051,   0.000,   0.022)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( 15.275,  -0.001,  24.741)  ( 15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.020,  -0.000,  -0.007)  (  0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.010,  -0.000,  -0.005)  (  0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -8.908,  -0.000,  11.821)  ( -8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       ( 52.205,  38.542, -47.306)  ( 52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
175:     bond    ( 35.751,  12.130, -26.884)  ( 35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
175:     angle   ( -0.014,   0.005,  -0.081)  ( -0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( 20.000,  12.412, -17.160)  ( 20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.019,  -0.017,  -0.014)  (  0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,  -0.006,  -0.002)  (  0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.556,  14.019,  -3.165)  ( -3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       ( -8.357, -75.934,  23.900)  ( -8.353, -75.928,  23.905)  ( 0.04,  0.01,  0.02)
175:     bond    (-14.578, -43.264,   7.487)  (-14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
175:     angle   ( -0.013,   0.075,   0.026)  ( -0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -4.671, -27.652,   7.696)  ( -4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.030,   0.017,   0.018)  (  0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.012,   0.004,   0.006)  (  0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 10.865,  -5.113,   8.667)  ( 10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       (-23.913,  -8.357, -75.934)  (-23.905,  -8.353, -75.928)  ( 0.03,  0.04,  0.01)
175:     bond    ( -7.494, -14.578, -43.264)  ( -7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
175:     angle   ( -0.029,  -0.013,   0.075)  ( -0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -7.698,  -4.671, -27.652)  ( -7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.018,   0.030,   0.017)  ( -0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,   0.012,   0.004)  ( -0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -8.667,  10.865,  -5.113)  ( -8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       (-47.306, -52.215,  38.542)  (-47.297, -52.209,  38.549)  ( 0.02,  0.01,  0.02)
175:     bond    (-26.884, -35.755,  12.130)  (-26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
175:     angle   ( -0.081,   0.012,   0.005)  ( -0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
175:     strbnd  (-17.160, -20.001,  12.412)  (-17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.014,  -0.020,  -0.017)  ( -0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.002,  -0.006,  -0.006)  ( -0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.165,   3.556,  14.019)  ( -3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 27       ( 52.205,  38.542,  47.292)  ( 52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
175:     bond    ( 35.751,  12.130,  26.876)  ( 35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
175:     angle   ( -0.014,   0.005,   0.078)  ( -0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( 20.000,  12.412,  17.157)  ( 20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
175:     torsion (  0.019,  -0.017,   0.014)  (  0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,  -0.006,   0.002)  (  0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.556,  14.019,   3.164)  ( -3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 28       (-70.710, -37.613,  -0.007)  (-70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
175:     bond    (-34.133, -31.161,  -0.003)  (-34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
175:     angle   ( -0.024,  -0.051,  -0.002)  ( -0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-24.743, -15.277,  -0.001)  (-24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.006,  -0.022,  -0.000)  (  0.006,  -0.021,  -0.000)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.005,  -0.010,  -0.000)  (  0.005,  -0.011,  -0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (-11.821,   8.908,  -0.000)  (-11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 29       ( 23.900,  -8.357, -75.934)  ( 23.905,  -8.353, -75.928)  ( 0.02,  0.04,  0.01)
175:     bond    (  7.487, -14.578, -43.264)  (  7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
175:     angle   (  0.026,  -0.013,   0.075)  (  0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  7.696,  -4.671, -27.652)  (  7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.018,   0.030,   0.017)  (  0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,   0.012,   0.004)  (  0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.667,  10.865,  -5.113)  (  8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       ( 70.694,  37.607,  -0.007)  ( 70.701,  37.611,   0.000)  ( 0.01,  0.01,  0.00)
175:     bond    ( 34.123,  31.159,  -0.003)  ( 34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
175:     angle   (  0.021,   0.050,  -0.002)  (  0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( 24.741,  15.275,  -0.001)  ( 24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.007,   0.020,  -0.000)  ( -0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.005,   0.010,  -0.000)  ( -0.005,   0.011,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 11.821,  -8.908,  -0.000)  ( 11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 31       ( 37.607,  -0.007, -70.710)  ( 37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
175:     bond    ( 31.159,  -0.003, -34.133)  ( 31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
175:     angle   (  0.050,  -0.002,  -0.024)  (  0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( 15.275,  -0.001, -24.743)  ( 15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.020,  -0.000,   0.006)  (  0.021,  -0.000,   0.006)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.010,  -0.000,   0.005)  (  0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -8.908,  -0.000, -11.821)  ( -8.908,   0.000, -11.821)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 32       ( -8.357,  75.919,  23.900)  ( -8.353,  75.928,  23.905)  ( 0.04,  0.01,  0.02)
175:     bond    (-14.578,  43.256,   7.487)  (-14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
175:     angle   ( -0.013,  -0.077,   0.026)  ( -0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -4.671,  27.650,   7.696)  ( -4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.030,  -0.018,   0.018)  (  0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.012,  -0.004,   0.006)  (  0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 10.865,   5.113,   8.667)  ( 10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 33       (-23.913,  -8.357,  75.919)  (-23.905,  -8.353,  75.928)  ( 0.03,  0.04,  0.01)
175:     bond    ( -7.494, -14.578,  43.256)  ( -7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
175:     angle   ( -0.029,  -0.013,  -0.077)  ( -0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -7.698,  -4.671,  27.650)  ( -7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.018,   0.030,  -0.018)  ( -0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,   0.012,  -0.004)  ( -0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -8.667,  10.865,   5.113)  ( -8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 34       ( 70.694, -37.613,  -0.007)  ( 70.701, -37.611,   0.000)  ( 0.01,  0.01,  0.00)
175:     bond    ( 34.123, -31.161,  -0.003)  ( 34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
175:     angle   (  0.021,  -0.051,  -0.002)  (  0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( 24.741, -15.277,  -0.001)  ( 24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.007,  -0.022,  -0.000)  ( -0.006,  -0.021,   0.000)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.005,  -0.010,  -0.000)  ( -0.005,  -0.011,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 11.821,   8.908,  -0.000)  ( 11.821,   8.908,   0.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 35       (-52.215,  38.542, -47.306)  (-52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
175:     bond    (-35.755,  12.130, -26.884)  (-35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
175:     angle   (  0.012,   0.005,  -0.081)  (  0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  (-20.001,  12.412, -17.160)  (-20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
175:     torsion ( -0.020,  -0.017,  -0.014)  ( -0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,  -0.006,  -0.002)  ( -0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.556,  14.019,  -3.165)  (  3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 36       (-52.215,  38.542,  47.292)  (-52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
175:     bond    (-35.755,  12.130,  26.876)  (-35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
175:     angle   (  0.012,   0.005,   0.078)  (  0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  (-20.001,  12.412,  17.157)  (-20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
175:     torsion ( -0.020,  -0.017,   0.014)  ( -0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,  -0.006,   0.002)  ( -0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.556,  14.019,   3.164)  (  3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 37       (-37.613,  -0.007,  70.694)  (-37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
175:     bond    (-31.161,  -0.003,  34.123)  (-31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
175:     angle   ( -0.051,  -0.002,   0.021)  ( -0.051,  -0.000,   0.022)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-15.277,  -0.001,  24.741)  (-15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.022,  -0.000,  -0.007)  ( -0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.010,  -0.000,  -0.005)  ( -0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.908,  -0.000,  11.821)  (  8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 38       (-52.215, -38.554, -47.306)  (-52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
175:     bond    (-35.755, -12.136, -26.884)  (-35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
175:     angle   (  0.012,  -0.007,  -0.081)  (  0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  (-20.001, -12.414, -17.160)  (-20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
175:     torsion ( -0.020,   0.017,  -0.014)  ( -0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,   0.005,  -0.002)  ( -0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.556, -14.019,  -3.165)  (  3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 39       (-52.215, -38.554,  47.292)  (-52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
175:     bond    (-35.755, -12.136,  26.876)  (-35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
175:     angle   (  0.012,  -0.007,   0.078)  (  0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
175:     strbnd  (-20.001, -12.414,  17.157)  (-20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
175:     torsion ( -0.020,   0.017,   0.014)  ( -0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.006,   0.005,   0.002)  ( -0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.556, -14.019,   3.164)  (  3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 40       ( 23.900,  -8.357,  75.919)  ( 23.905,  -8.353,  75.928)  ( 0.02,  0.04,  0.01)
175:     bond    (  7.487, -14.578,  43.256)  (  7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
175:     angle   (  0.026,  -0.013,  -0.077)  (  0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  7.696,  -4.671,  27.650)  (  7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.018,   0.030,  -0.018)  (  0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,   0.012,  -0.004)  (  0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.667,  10.865,   5.113)  (  8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 41       (-54.913, -35.524, -24.139)  (-54.905, -35.518, -24.134)  ( 0.02,  0.02,  0.02)
175:     bond    (-26.884, -35.755, -12.136)  (-26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
175:     angle   (  8.310,   2.328,   1.428)  (  8.312,   2.330,   1.429)  ( 0.02,  0.05,  0.09)
175:     strbnd  (-33.157,  -3.794,  -2.400)  (-33.157,  -3.793,  -2.399)  ( 0.00,  0.02,  0.04)
175:     torsion ( -0.015,  -1.854,   2.983)  ( -0.015,  -1.853,   2.983)  ( 0.00,  0.03,  0.01)
175:     oop     ( -0.002,  -0.006,   0.005)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.165,   3.556, -14.019)  ( -3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 42       (  3.504,  53.443,  17.121)  (  3.509,  53.448,  17.126)  ( 0.15,  0.01,  0.02)
175:     bond    (-12.452,  26.530,  26.356)  (-12.448,  26.533,  26.357)  ( 0.04,  0.01,  0.01)
175:     angle   ( -9.977,  -5.385,  -2.072)  ( -9.975,  -5.383,  -2.071)  ( 0.02,  0.04,  0.05)
175:     strbnd  ( 29.601,  21.773,  10.437)  ( 29.601,  21.772,  10.438)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.442,   1.853,  -6.723)  (  1.442,   1.853,  -6.722)  ( 0.02,  0.02,  0.01)
175:     oop     (  0.004,   0.006,  -0.012)  (  0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.113,   8.667, -10.865)  ( -5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 43       ( 47.292, -52.215, -38.554)  ( 47.297, -52.209, -38.549)  ( 0.01,  0.01,  0.01)
175:     bond    ( 26.876, -35.755, -12.136)  ( 26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
175:     angle   (  0.078,   0.012,  -0.007)  (  0.079,   0.013,  -0.006)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 17.157, -20.001, -12.414)  ( 17.159, -20.000, -12.413)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.014,  -0.020,   0.017)  (  0.014,  -0.019,   0.017)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.002,  -0.006,   0.005)  (  0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.164,   3.556, -14.019)  (  3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 44       (  8.348,  75.919, -23.913)  (  8.353,  75.928, -23.905)  ( 0.06,  0.01,  0.03)
175:     bond    ( 14.575,  43.256,  -7.494)  ( 14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
175:     angle   (  0.011,  -0.077,  -0.029)  (  0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  4.670,  27.650,  -7.698)  (  4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.031,  -0.018,  -0.018)  ( -0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.012,  -0.004,  -0.006)  ( -0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-10.865,   5.113,  -8.667)  (-10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 45       ( -8.357,  75.919, -23.913)  ( -8.353,  75.928, -23.905)  ( 0.04,  0.01,  0.03)
175:     bond    (-14.578,  43.256,  -7.494)  (-14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
175:     angle   ( -0.013,  -0.077,  -0.029)  ( -0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -4.671,  27.650,  -7.698)  ( -4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.030,  -0.018,  -0.018)  (  0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.012,  -0.004,  -0.006)  (  0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 10.865,   5.113,  -8.667)  ( 10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 46       (  8.348, -75.934, -23.913)  (  8.353, -75.928, -23.905)  ( 0.06,  0.01,  0.03)
175:     bond    ( 14.575, -43.264,  -7.494)  ( 14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
175:     angle   (  0.011,   0.075,  -0.029)  (  0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  4.670, -27.652,  -7.698)  (  4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.031,   0.017,  -0.018)  ( -0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.012,   0.004,  -0.006)  ( -0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-10.865,  -5.113,  -8.667)  (-10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 47       (-38.554, -47.306,  52.205)  (-38.549, -47.297,  52.209)  ( 0.01,  0.02,  0.01)
175:     bond    (-12.136, -26.884,  35.751)  (-12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
175:     angle   ( -0.007,  -0.081,  -0.014)  ( -0.006,  -0.079,  -0.013)  ( 0.00,  0.01,  0.00)
175:     strbnd  (-12.414, -17.160,  20.000)  (-12.413, -17.159,  20.000)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.017,  -0.014,   0.019)  (  0.017,  -0.014,   0.019)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.005,  -0.002,   0.006)  (  0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-14.019,  -3.165,  -3.556)  (-14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 48       (-37.613,  -0.007, -70.710)  (-37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
175:     bond    (-31.161,  -0.003, -34.133)  (-31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
175:     angle   ( -0.051,  -0.002,  -0.024)  ( -0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-15.277,  -0.001, -24.743)  (-15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.022,  -0.000,   0.006)  ( -0.021,   0.000,   0.006)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.010,  -0.000,   0.005)  ( -0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.908,  -0.000, -11.821)  (  8.908,  -0.000, -11.821)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 49       ( 23.900,   8.348,  75.919)  ( 23.905,   8.353,  75.928)  ( 0.02,  0.06,  0.01)
175:     bond    (  7.487,  14.575,  43.256)  (  7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
175:     angle   (  0.026,   0.011,  -0.077)  (  0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  7.696,   4.670,  27.650)  (  7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.018,  -0.031,  -0.018)  (  0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.006,  -0.012,  -0.004)  (  0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.667, -10.865,   5.113)  (  8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 50       (-54.913,  35.514, -24.139)  (-54.905,  35.518, -24.134)  ( 0.02,  0.01,  0.02)
175:     bond    (-26.884,  35.751, -12.136)  (-26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
175:     angle   (  8.310,  -2.331,   1.428)  (  8.312,  -2.330,   1.429)  ( 0.02,  0.05,  0.09)
175:     strbnd  (-33.157,   3.792,  -2.400)  (-33.157,   3.793,  -2.399)  ( 0.00,  0.02,  0.04)
175:     torsion ( -0.015,   1.852,   2.983)  ( -0.015,   1.853,   2.983)  ( 0.00,  0.03,  0.01)
175:     oop     ( -0.002,   0.006,   0.005)  ( -0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.165,  -3.556, -14.019)  ( -3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 51       ( -8.357, -75.934, -23.913)  ( -8.353, -75.928, -23.905)  ( 0.04,  0.01,  0.03)
175:     bond    (-14.578, -43.264,  -7.494)  (-14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
175:     angle   ( -0.013,   0.075,  -0.029)  ( -0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -4.671, -27.652,  -7.698)  ( -4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.030,   0.017,  -0.018)  (  0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.012,   0.004,  -0.006)  (  0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 10.865,  -5.113,  -8.667)  ( 10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 52       ( 37.554, -49.775,  56.098)  ( 37.561, -49.767,  56.102)  ( 0.02,  0.02,  0.01)
175:     bond    ( 12.130, -26.884,  35.751)  ( 12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
175:     angle   (  1.671,   3.010,   0.624)  (  1.672,   3.012,   0.625)  ( 0.08,  0.05,  0.07)
175:     strbnd  ( 11.182, -22.719,  19.528)  ( 11.183, -22.718,  19.529)  ( 0.01,  0.00,  0.00)
175:     torsion ( -1.441,  -0.016,   3.746)  ( -1.441,  -0.015,   3.746)  ( 0.03,  0.00,  0.02)
175:     oop     ( -0.006,  -0.002,   0.006)  ( -0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 14.019,  -3.165,  -3.556)  ( 14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 53       ( 57.517,  33.960,  18.680)  ( 57.526,  33.965,  18.684)  ( 0.02,  0.02,  0.02)
175:     bond    ( 43.256,   7.487,  14.575)  ( 43.260,   7.491,  14.577)  ( 0.01,  0.04,  0.01)
175:     angle   ( -5.272,  -6.052,  -3.749)  ( -5.270,  -6.051,  -3.748)  ( 0.03,  0.03,  0.03)
175:     strbnd  ( 14.441,  25.672,  15.790)  ( 14.443,  25.673,  15.791)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.018,  -1.820,   2.940)  ( -0.018,  -1.820,   2.940)  ( 0.00,  0.02,  0.02)
175:     oop     ( -0.004,   0.006,  -0.012)  ( -0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.113,   8.667, -10.865)  (  5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 54       (-52.445,  20.194,   0.196)  (-52.439,  20.201,   0.199)  ( 0.01,  0.03,  0.06)
175:     bond    (-30.817,  15.080,  19.379)  (-30.813,  15.086,  19.380)  ( 0.01,  0.03,  0.00)
175:     angle   (  5.186,   6.102,   3.821)  (  5.188,   6.103,   3.822)  ( 0.04,  0.03,  0.02)
175:     strbnd  (-26.815, -14.634, -11.154)  (-26.815, -14.635, -11.154)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,   1.831,  -2.952)  (  0.001,   1.831,  -2.951)  ( 0.00,  0.01,  0.02)
175:     oop     ( -0.000,  -0.005,   0.010)  (  0.000,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000,  11.821,  -8.908)  (  0.000,  11.821,  -8.908)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 55       ( 37.554,  49.762,  56.098)  ( 37.561,  49.767,  56.102)  ( 0.02,  0.01,  0.01)
175:     bond    ( 12.130,  26.876,  35.751)  ( 12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
175:     angle   (  1.671,  -3.013,   0.624)  (  1.672,  -3.012,   0.625)  ( 0.08,  0.05,  0.07)
175:     strbnd  ( 11.182,  22.717,  19.528)  ( 11.183,  22.718,  19.529)  ( 0.01,  0.00,  0.00)
175:     torsion ( -1.441,   0.015,   3.746)  ( -1.441,   0.015,   3.746)  ( 0.03,  0.00,  0.02)
175:     oop     ( -0.006,   0.002,   0.006)  ( -0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 14.019,   3.164,  -3.556)  ( 14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 56       (-38.554,  47.292,  52.205)  (-38.549,  47.297,  52.209)  ( 0.01,  0.01,  0.01)
175:     bond    (-12.136,  26.876,  35.751)  (-12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
175:     angle   ( -0.007,   0.078,  -0.014)  ( -0.006,   0.079,  -0.013)  ( 0.00,  0.01,  0.00)
175:     strbnd  (-12.414,  17.157,  20.000)  (-12.413,  17.159,  20.000)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.017,   0.014,   0.019)  (  0.017,   0.014,   0.019)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.005,   0.002,   0.006)  (  0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (-14.019,   3.164,  -3.556)  (-14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 57       ( 47.292,  52.205, -38.554)  ( 47.297,  52.209, -38.549)  ( 0.01,  0.01,  0.01)
175:     bond    ( 26.876,  35.751, -12.136)  ( 26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
175:     angle   (  0.078,  -0.014,  -0.007)  (  0.079,  -0.013,  -0.006)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 17.157,  20.000, -12.414)  ( 17.159,  20.000, -12.413)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.014,   0.019,   0.017)  (  0.014,   0.019,   0.017)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.002,   0.006,   0.005)  (  0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.164,  -3.556, -14.019)  (  3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 58       (  3.504, -53.454,  17.121)  (  3.509, -53.448,  17.126)  ( 0.15,  0.01,  0.02)
175:     bond    (-12.452, -26.537,  26.356)  (-12.448, -26.533,  26.357)  ( 0.04,  0.01,  0.01)
175:     angle   ( -9.977,   5.381,  -2.072)  ( -9.975,   5.383,  -2.071)  ( 0.02,  0.04,  0.05)
175:     strbnd  ( 29.601, -21.772,  10.437)  ( 29.601, -21.772,  10.438)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.442,  -1.853,  -6.723)  (  1.442,  -1.853,  -6.722)  ( 0.02,  0.02,  0.01)
175:     oop     (  0.004,  -0.006,  -0.012)  (  0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.113,  -8.667, -10.865)  ( -5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 59       ( 57.517, -33.972,  18.680)  ( 57.526, -33.965,  18.684)  ( 0.02,  0.02,  0.02)
175:     bond    ( 43.256,  -7.494,  14.575)  ( 43.260,  -7.491,  14.577)  ( 0.01,  0.04,  0.01)
175:     angle   ( -5.272,   6.049,  -3.749)  ( -5.270,   6.051,  -3.748)  ( 0.03,  0.03,  0.03)
175:     strbnd  ( 14.441, -25.674,  15.790)  ( 14.443, -25.673,  15.791)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.018,   1.819,   2.940)  ( -0.018,   1.820,   2.940)  ( 0.00,  0.02,  0.02)
175:     oop     ( -0.004,  -0.006,  -0.012)  ( -0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.113,  -8.667, -10.865)  (  5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 60       (-52.445, -20.208,   0.196)  (-52.439, -20.201,   0.199)  ( 0.01,  0.04,  0.06)
175:     bond    (-30.817, -15.091,  19.379)  (-30.813, -15.086,  19.380)  ( 0.01,  0.03,  0.00)
175:     angle   (  5.186,  -6.105,   3.821)  (  5.188,  -6.103,   3.822)  ( 0.04,  0.03,  0.02)
175:     strbnd  (-26.815,  14.635, -11.154)  (-26.815,  14.635, -11.154)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,  -1.831,  -2.952)  (  0.001,  -1.831,  -2.951)  ( 0.00,  0.01,  0.02)
175:     oop     ( -0.000,   0.005,   0.010)  (  0.000,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.000, -11.821,  -8.908)  ( -0.000, -11.821,  -8.908)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 18 # gradients 
175: ok 19 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( 47.614,  10.906,   0.039)  ( 47.621,  10.915,   0.093)  ( 0.02,  0.08,  0.21)
175:     bond    ( 30.636,  -6.297,   0.167)  ( 30.642,  -6.289,   0.167)  ( 0.02,  0.13,  0.00)
175:     angle   ( 32.862,  34.136,   0.480)  ( 32.865,  34.139,   0.480)  ( 0.01,  0.01,  0.00)
175:     strbnd  (-13.324,  -8.673,  -0.104)  (-13.325,  -8.674,  -0.104)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.006,   0.007,  -0.513)  (  0.006,   0.007,  -0.512)  ( 0.00,  0.00,  0.06)
175:     oop     (  0.002,   0.002,  -0.095)  (  0.001,   0.002,  -0.042)  ( 0.00,  0.00,  0.50)
175:     vdw     ( -4.980, -11.257,   0.121)  ( -4.980, -11.256,   0.121)  ( 0.00,  0.00,  0.00)
175:     electro (  2.412,   2.988,  -0.017)  (  2.412,   2.988,  -0.017)  ( 0.00,  0.00,  0.00)
175:  2       (-60.262, -26.974,  -2.058)  (-60.252, -26.966,  -1.947)  ( 0.02,  0.03,  5.40)
175:     bond    (-30.553,  -9.880,   0.169)  (-30.547,  -9.873,   0.169)  ( 0.02,  0.07,  0.00)
175:     angle   (-46.521, -10.271,   0.396)  (-46.518, -10.269,   0.396)  ( 0.01,  0.02,  0.00)
175:     strbnd  ( 17.496,  -2.306,  -0.133)  ( 17.495,  -2.306,  -0.133)  ( 0.00,  0.03,  0.00)
175:     torsion ( -0.025,   0.014,  -1.717)  ( -0.025,   0.014,  -1.715)  ( 0.00,  0.00,  0.08)
175:     oop     ( -0.004,   0.004,  -0.489)  ( -0.003,   0.003,  -0.380)  ( 0.00,  0.00,  5.38)
175:     vdw     (  1.588, -12.705,  -0.305)  (  1.588, -12.704,  -0.305)  ( 0.01,  0.00,  0.00)
175:     electro ( -2.243,   8.169,   0.021)  ( -2.243,   8.169,   0.021)  ( 0.00,  0.00,  0.00)
175:  3       ( 23.930, -14.242,   1.480)  ( 23.937, -14.234,   1.356)  ( 0.03,  0.06,  8.43)
175:     bond    ( 39.764,   9.492,  -0.196)  ( 39.769,   9.499,  -0.196)  ( 0.01,  0.07,  0.00)
175:     angle   ( -9.543, -33.981,   0.308)  ( -9.540, -33.979,   0.308)  ( 0.03,  0.01,  0.01)
175:     strbnd  ( -7.639,   9.515,  -0.055)  ( -7.639,   9.513,  -0.055)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.011,   0.725,   0.814)  (  0.011,   0.725,   0.815)  ( 0.00,  0.00,  0.09)
175:     oop     (  0.005,   0.000,   0.631)  (  0.004,   0.000,   0.505)  ( 0.00,  0.00,  7.96)
175:     vdw     (  9.366,   0.886,   0.003)  (  9.367,   0.886,   0.003)  ( 0.00,  0.00,  0.00)
175:     electro ( -8.034,  -0.879,  -0.025)  ( -8.034,  -0.879,  -0.025)  ( 0.00,  0.00,  0.00)
175:  4       (  0.145,  -4.796,  -0.990)  (  0.155,  -4.783,  -0.870)  ( 0.15,  0.26, 11.92)
175:     bond    (-10.729, -14.628,   0.267)  (-10.721, -14.617,   0.267)  ( 0.08,  0.07,  0.01)
175:     angle   ( 32.474,  51.618,  -0.713)  ( 32.476,  51.622,  -0.713)  ( 0.01,  0.01,  0.01)
175:     strbnd  (-21.280, -41.834,   0.455)  (-21.281, -41.837,   0.455)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.002,  -0.000,   0.339)  ( -0.002,  -0.000,   0.341)  ( 0.00,  0.00,  0.04)
175:     oop     ( -0.004,  -0.005,  -0.706)  ( -0.003,  -0.004,  -0.587)  ( 0.00,  0.00,  8.43)
175:     vdw     (  7.224,  10.517,  -0.632)  (  7.224,  10.517,  -0.632)  ( 0.00,  0.00,  0.00)
175:     electro ( -7.539, -10.463,  -0.002)  ( -7.539, -10.463,  -0.002)  ( 0.00,  0.00,  0.00)
175:  5       ( 32.855,  54.085,  -1.765)  ( 32.859,  54.093,  -1.793)  ( 0.01,  0.01,  1.56)
175:     bond    ( 14.954,  25.801,  -0.346)  ( 14.956,  25.809,  -0.346)  ( 0.02,  0.03,  0.00)
175:     angle   ( -0.954,   0.553,   0.090)  ( -0.953,   0.554,   0.090)  ( 0.07,  0.01,  0.00)
175:     strbnd  ( 15.993,  27.797,  -0.361)  ( 15.993,  27.797,  -0.362)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,   0.000,   0.051)  (  0.001,   0.000,   0.051)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,   0.002,   0.182)  (  0.001,   0.001,   0.155)  ( 0.00,  0.00,  0.50)
175:     vdw     (  7.016,   4.718,  -1.422)  (  7.016,   4.718,  -1.422)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.154,  -4.786,   0.041)  ( -4.154,  -4.786,   0.041)  ( 0.00,  0.00,  0.00)
175:  6       ( -0.168,   8.955,   0.093)  ( -0.160,   8.963,  -0.035)  ( 0.14,  0.09,  1.18)
175:     bond    (-14.177,  30.083,  -0.172)  (-14.170,  30.088,  -0.172)  ( 0.05,  0.02,  0.00)
175:     angle   (  8.442, -39.763,   0.869)  (  8.444, -39.760,   0.869)  ( 0.03,  0.01,  0.03)
175:     strbnd  ( 11.495,   9.907,  -0.096)  ( 11.495,   9.907,  -0.096)  ( 0.00,  0.00,  0.00)
176: # Testing MMFF94 Force Field...
176: ok 1 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : cudpas.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
176:  1       (  0.007,  -0.034,  -0.015)  (  0.020,  -0.030,  -0.011)  ( 0.01,  0.01,  0.01)
176:     bond    ( -0.627,  15.886,  -4.916)  ( -0.627,  15.888,  -4.911)  ( 0.02,  0.01,  0.10)
176:     angle   (  0.285,  -5.925,   1.613)  (  0.285,  -5.923,   1.613)  ( 0.00,  0.03,  0.02)
176:     strbnd  (  0.281,  -0.139,   0.833)  (  0.281,  -0.139,   0.834)  ( 0.00,  0.00,  0.06)
176:     torsion (  1.474,  -0.034,  -0.301)  (  1.475,  -0.034,  -0.301)  ( 0.05,  0.00,  0.00)
176:     oop     ( -0.070,   0.000,   0.013)  ( -0.058,   0.000,   0.010)  ( 0.08,  0.00,  0.00)
176:     vdw     (  0.215,  -8.567,   1.182)  (  0.215,  -8.567,   1.182)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.551,  -1.255,   1.561)  ( -1.551,  -1.255,   1.561)  ( 0.00,  0.00,  0.00)
176:  2       (  0.000,   0.058,   0.027)  (  0.024,   0.065,   0.030)  ( 0.00,  0.04,  0.01)
176:     bond    ( -2.164,  -2.951,  -9.934)  ( -2.163,  -2.945,  -9.929)  ( 0.01,  0.20,  0.05)
176:     angle   ( -0.734,   3.034,  -3.472)  ( -0.734,   3.036,  -3.470)  ( 0.01,  0.06,  0.05)
176:     strbnd  ( -0.457,   4.090,  -1.781)  ( -0.457,   4.089,  -1.781)  ( 0.00,  0.01,  0.01)
176:     torsion ( -0.364,   0.018,   0.072)  ( -0.363,   0.018,   0.072)  ( 0.04,  0.00,  0.00)
176:     oop     ( -0.132,  -0.000,   0.028)  ( -0.109,  -0.000,   0.023)  ( 0.29,  0.00,  0.01)
176:     vdw     (  2.945,  -6.240,  14.926)  (  2.945,  -6.240,  14.926)  ( 0.00,  0.00,  0.00)
176:     electro (  0.905,   2.108,   0.188)  (  0.905,   2.108,   0.188)  ( 0.00,  0.00,  0.00)
176:  3       ( -0.013,  -0.134,  -0.004)  ( -0.081,  -0.127,   0.017)  ( 0.09,  0.09,  0.01)
176:     bond    ( -2.856,   1.520, -14.141)  ( -2.856,   1.526, -14.136)  ( 0.01,  0.37,  0.04)
176:     angle   (  0.155,   3.466,   1.738)  (  0.155,   3.468,   1.740)  ( 0.00,  0.05,  0.09)
176:     strbnd  ( -0.578,  -2.580,  -2.569)  ( -0.578,  -2.580,  -2.569)  ( 0.00,  0.01,  0.00)
176:     torsion (  5.075,   0.158,  -0.979)  (  5.077,   0.158,  -0.979)  ( 0.02,  0.00,  0.00)
176:     oop     (  0.439,   0.006,  -0.089)  (  0.369,   0.005,  -0.074)  ( 3.06,  0.00,  0.13)
176:     vdw     ( -0.451,   3.238,  15.457)  ( -0.451,   3.238,  15.457)  ( 0.00,  0.01,  0.00)
176:     electro ( -1.798,  -5.942,   0.580)  ( -1.798,  -5.942,   0.580)  ( 0.00,  0.00,  0.00)
176:  4       (  0.002,   0.065,  -0.009)  (  0.146,   0.078,   0.012)  ( 0.03,  0.08,  0.02)
176:     bond    (  0.739,  -9.087,   3.961)  (  0.739,  -9.082,   3.966)  ( 0.03,  0.05,  0.13)
176:     angle   (  9.507,   2.833,   4.739)  (  9.507,   2.835,   4.740)  ( 0.00,  0.07,  0.03)
176:     strbnd  ( -2.902,   7.782,  -9.865)  ( -2.902,   7.782,  -9.865)  ( 0.01,  0.00,  0.00)
176:     torsion ( -1.466,  -0.116,   0.262)  ( -1.465,  -0.116,   0.263)  ( 0.07,  0.00,  0.00)
176:     oop     ( -0.861,  -0.029,   0.012)  ( -0.719,  -0.023,   0.026)  (12.21,  0.02,  0.02)
176:     vdw     ( -5.002,  -2.445,  -0.447)  ( -5.002,  -2.445,  -0.447)  ( 0.00,  0.01,  0.00)
176:     electro ( -0.012,   1.128,   1.328)  ( -0.012,   1.127,   1.328)  ( 0.00,  0.00,  0.00)
176:  5       (  0.005,  -0.046,   0.001)  ( -0.130,  -0.039,   0.034)  ( 0.07,  0.03,  0.00)
176:     bond    (  3.837,  -3.968,  21.878)  (  3.837,  -3.963,  21.884)  ( 0.01,  0.13,  0.03)
176:     angle   (  0.847, -10.923,   3.951)  (  0.847, -10.921,   3.952)  ( 0.01,  0.02,  0.05)
176:     strbnd  ( -1.746,  12.103, -11.050)  ( -1.746,  12.103, -11.050)  ( 0.01,  0.00,  0.01)
176:     torsion ( -3.129,  -0.067,   0.763)  ( -3.128,  -0.067,   0.763)  ( 0.04,  0.00,  0.00)
176:     oop     (  0.796,   0.002,  -0.144)  (  0.659,   0.002,  -0.119)  (10.87,  0.00,  0.36)
176:     vdw     ( -1.003,   0.572, -15.165)  ( -1.003,   0.573, -15.165)  ( 0.00,  0.01,  0.00)
176:     electro (  0.403,   2.234,  -0.231)  (  0.403,   2.234,  -0.231)  ( 0.00,  0.00,  0.00)
176:  6       ( -0.014,   0.019,  -0.059)  ( -0.034,   0.026,  -0.048)  ( 0.03,  0.01,  0.07)
176:     bond    (  2.360,   2.726,  12.251)  (  2.360,   2.732,  12.256)  ( 0.01,  0.21,  0.04)
176:     angle   ( -0.066,   1.649,  -0.869)  ( -0.066,   1.650,  -0.868)  ( 0.00,  0.11,  0.16)
176:     strbnd  (  0.208,   6.438,   1.157)  (  0.208,   6.438,   1.157)  ( 0.00,  0.01,  0.00)
176:     torsion ( -0.540,   0.017,   0.090)  ( -0.539,   0.017,   0.090)  ( 0.06,  0.00,  0.00)
176:     oop     (  0.087,  -0.000,  -0.019)  (  0.064,  -0.000,  -0.014)  ( 0.19,  0.00,  0.01)
176:     vdw     ( -2.723, -10.804, -13.580)  ( -2.723, -10.804, -13.580)  ( 0.00,  0.00,  0.00)
176:     electro (  0.661,  -0.008,   0.910)  (  0.661,  -0.008,   0.910)  ( 0.00,  0.00,  0.00)
176:  7       ( -0.000,  -0.025,   0.003)  (  0.044,  -0.019,  -0.000)  ( 0.00,  0.02,  0.00)
176:     bond    ( -0.276,   9.120,  -8.956)  ( -0.276,   9.125,  -8.952)  ( 0.01,  0.06,  0.04)
176:     angle   ( -2.902,   6.048,  -7.259)  ( -2.902,   6.049,  -7.258)  ( 0.00,  0.01,  0.01)
176:     strbnd  (  4.031,  -4.453,  22.176)  (  4.031,  -4.453,  22.175)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.760,  -0.466,  -0.265)  (  0.760,  -0.466,  -0.265)  ( 0.02,  0.00,  0.00)
176:     oop     ( -0.230,   0.002,   0.039)  ( -0.186,   0.002,   0.031)  ( 1.01,  0.00,  0.03)
176:     vdw     (  1.328,  -4.801,  -4.259)  (  1.328,  -4.800,  -4.259)  ( 0.00,  0.00,  0.00)
176:     electro ( -2.711,  -5.475,  -1.472)  ( -2.711,  -5.475,  -1.472)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.053,   0.027,  -0.033)  ( -0.216,  -0.497,  -0.226)  ( 0.87,  1.39,  0.64)
176:     bond    ( -3.938,   9.942,  -2.316)  ( -3.934,   9.949,  -2.315)  ( 0.12,  0.07,  0.05)
176:     angle   ( -3.540, -17.066,  -4.696)  ( -3.538, -17.064,  -4.695)  ( 0.04,  0.01,  0.02)
176:     strbnd  (  4.437,  -1.012,   2.201)  (  4.437,  -1.013,   2.201)  ( 0.01,  0.09,  0.00)
176:     torsion (  2.311,  -0.228,  -0.758)  (  2.312,  -0.228,  -0.757)  ( 0.01,  0.00,  0.04)
176:     oop     (  1.408,   4.166,   1.238)  (  1.240,   3.633,   1.042)  (11.95, 12.78, 15.83)
176:     vdw     ( -0.128,   4.264,   1.509)  ( -0.128,   4.264,   1.509)  ( 0.00,  0.00,  0.01)
176:     electro ( -0.604,  -0.039,   2.789)  ( -0.604,  -0.039,   2.789)  ( 0.00,  0.00,  0.00)
176:  9       (  0.038,  -0.049,   0.024)  (  0.022,  -0.042,   0.070)  ( 0.06,  0.04,  0.11)
176:     bond    ( -6.811, -11.830,  -2.866)  ( -6.806, -11.826,  -2.865)  ( 0.08,  0.03,  0.04)
176:     angle   ( -5.541,  23.308,  -2.368)  ( -5.540,  23.310,  -2.368)  ( 0.01,  0.01,  0.01)
176:     strbnd  ( -9.346, -15.538,  -3.964)  ( -9.346, -15.538,  -3.964)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.130,   0.142,  -0.104)  ( -0.130,   0.142,  -0.103)  ( 0.00,  0.00,  0.01)
176:     oop     (  0.089,  -0.009,  -0.185)  (  0.068,  -0.007,  -0.140)  ( 0.19,  0.00,  0.82)
176:     vdw     (  4.010,   3.065,   1.034)  (  4.010,   3.065,   1.034)  ( 0.00,  0.00,  0.00)
176:     electro ( 17.767,   0.813,   8.478)  ( 17.767,   0.813,   8.478)  ( 0.00,  0.00,  0.00)
176: 10       ( -0.019,   0.024,  -0.011)  ( -0.016,   0.025,  -0.010)  ( 0.01,  0.00,  0.00)
176:     bond    ( -2.271,   0.707,  -0.996)  ( -2.268,   0.707,  -0.996)  ( 0.12,  0.02,  0.05)
176:     angle   ( -3.799, -14.334,  -1.531)  ( -3.799, -14.334,  -1.531)  ( 0.00,  0.00,  0.00)
176:     strbnd  ( -3.911,   0.756,  -1.713)  ( -3.911,   0.756,  -1.713)  ( 0.00,  0.01,  0.00)
176:     torsion ( -1.084,   0.022,   2.483)  ( -1.084,   0.022,   2.483)  ( 0.00,  0.00,  0.01)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( 12.753,  14.661,   1.096)  ( 12.753,  14.662,   1.096)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.708,  -1.788,   0.651)  ( -1.708,  -1.788,   0.651)  ( 0.00,  0.00,  0.00)
176: 11       (  0.015,  -0.026,   0.001)  (  0.771,   2.628,   0.451)  ( 1.12,  6.89,  0.06)
176:     bond    (  3.189,  -2.270,  -2.910)  (  3.195,  -2.269,  -2.901)  ( 0.19,  0.03,  0.31)
176:     angle   (-10.982,  12.274, -10.144)  (-10.980,  12.275, -10.142)  ( 0.02,  0.01,  0.02)
176:     strbnd  (  9.932,  -4.142,   5.975)  (  9.932,  -4.142,   5.974)  ( 0.01,  0.00,  0.01)
176:     torsion (  1.366,   0.855,  -1.969)  (  1.366,   0.855,  -1.969)  ( 0.00,  0.01,  0.00)
176:     oop     ( -4.523, -15.083,  -2.694)  ( -3.775, -12.431,  -2.255)  (16.55, 17.58, 16.29)
176:     vdw     ( -4.277,   7.452,   2.371)  ( -4.277,   7.452,   2.371)  ( 0.00,  0.00,  0.00)
176:     electro (  5.310,   0.888,   9.373)  (  5.310,   0.888,   9.373)  ( 0.00,  0.00,  0.00)
176: 12       ( -0.011,   0.000,   0.007)  ( -0.290,  -1.084,  -0.175)  ( 0.29,  0.02,  0.14)
176:     bond    ( 10.583,  -1.441,  -7.782)  ( 10.587,  -1.441,  -7.780)  ( 0.04,  0.01,  0.03)
176:     angle   (  6.221,  -3.313,   9.078)  (  6.221,  -3.312,   9.079)  ( 0.01,  0.00,  0.01)
176:     strbnd  (  0.003,  -0.237,   0.497)  (  0.003,  -0.237,   0.497)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.228,  -0.717,  -0.178)  ( -0.228,  -0.717,  -0.178)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.512,   5.503,   1.038)  (  1.228,   4.419,   0.853)  (18.78, 19.70, 17.87)
176:     vdw     ( -3.491,   1.297,  -0.137)  ( -3.491,   1.297,  -0.137)  ( 0.00,  0.00,  0.00)
176:     electro (-14.610,  -1.093,  -2.508)  (-14.609,  -1.093,  -2.508)  ( 0.00,  0.00,  0.00)
176: 13       ( -0.004,   0.006,  -0.028)  ( -0.292,  -1.034,  -0.161)  ( 0.12,  0.58,  0.38)
176:     bond    ( -0.347,  -2.236,  17.411)  ( -0.347,  -2.236,  17.418)  ( 0.00,  0.01,  0.04)
176:     angle   (  8.341,  -2.202,  -0.117)  (  8.342,  -2.202,  -0.117)  ( 0.01,  0.01,  0.00)
176:     strbnd  (  0.537,  -0.164,  -1.098)  (  0.537,  -0.164,  -1.098)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.007,   0.019,   0.003)  (  0.007,   0.019,   0.003)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.643,   5.440,   0.731)  (  1.355,   4.400,   0.592)  (17.57, 19.11, 10.18)
176:     vdw     ( -4.303,   6.079,  -2.483)  ( -4.303,   6.079,  -2.483)  ( 0.00,  0.00,  0.00)
176:     electro ( -5.883,  -6.929, -14.476)  ( -5.883,  -6.929, -14.476)  ( 0.00,  0.00,  0.00)
176: 14       ( -0.006,   0.009,  -0.025)  ( -0.009,   0.010,  -0.021)  ( 0.00,  0.00,  0.01)
176:     bond    ( -0.262,   0.572,  -1.210)  ( -0.262,   0.573,  -1.207)  ( 0.00,  0.04,  0.25)
176:     angle   (  0.025,   0.262,   0.119)  (  0.025,   0.263,   0.119)  ( 0.00,  0.02,  0.00)
176:     strbnd  ( -0.068,  -0.555,  -0.311)  ( -0.068,  -0.555,  -0.311)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.529,  -0.000,   0.115)  ( -0.529,  -0.000,   0.115)  ( 0.01,  0.00,  0.00)
176:     oop     (  0.026,   0.000,  -0.006)  (  0.022,   0.000,  -0.005)  ( 0.01,  0.00,  0.00)
176:     vdw     (  0.090,  -0.573,   0.418)  (  0.090,  -0.573,   0.418)  ( 0.00,  0.00,  0.00)
176:     electro (  0.711,   0.304,   0.851)  (  0.711,   0.304,   0.851)  ( 0.00,  0.00,  0.00)
176: 15       (  0.011,   0.025,   0.020)  (  0.026,   0.027,   0.019)  ( 0.02,  0.00,  0.00)
176:     bond    ( -0.317,  -1.110,  -1.455)  ( -0.317,  -1.109,  -1.453)  ( 0.00,  0.12,  0.16)
176:     angle   (  0.046,  -0.282,   0.205)  (  0.046,  -0.282,   0.205)  ( 0.00,  0.01,  0.00)
176:     strbnd  ( -0.095,   0.271,  -0.498)  ( -0.095,   0.271,  -0.498)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.381,   0.015,   0.290)  ( -1.380,   0.015,   0.290)  ( 0.02,  0.00,  0.00)
176:     oop     ( -0.079,   0.000,   0.017)  ( -0.065,   0.000,   0.014)  ( 0.11,  0.00,  0.01)
176:     vdw     ( -0.910,  -2.950,   3.814)  ( -0.910,  -2.950,   3.814)  ( 0.00,  0.00,  0.00)
176:     electro (  2.748,   4.081,  -2.353)  (  2.748,   4.081,  -2.353)  ( 0.00,  0.00,  0.00)
176: 16       ( -0.000,  -0.001,   0.020)  (  0.015,   0.001,   0.020)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.218,   1.033,   1.174)  (  0.219,   1.034,   1.176)  ( 0.00,  0.16,  0.18)
176:     angle   ( -0.076,   0.463,  -0.393)  ( -0.076,   0.463,  -0.393)  ( 0.00,  0.02,  0.01)
176:     strbnd  (  0.016,  -0.834,   0.057)  (  0.016,  -0.834,   0.057)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.089,  -0.002,   0.018)  ( -0.089,  -0.002,   0.018)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.109,   0.000,   0.020)  ( -0.094,   0.000,   0.017)  ( 0.17,  0.00,  0.01)
176:     vdw     (  0.013,  -2.157,   0.235)  (  0.013,  -2.157,   0.235)  ( 0.00,  0.00,  0.00)
176:     electro (  0.026,   1.497,  -1.090)  (  0.026,   1.496,  -1.090)  ( 0.00,  0.00,  0.00)
176: 17       ( -0.000,   0.006,  -0.002)  ( -0.000,   0.011,  -0.001)  ( 0.00,  0.00,  0.00)
176:     bond    ( -1.080,  -6.670,   0.744)  ( -1.080,  -6.665,   0.744)  ( 0.02,  0.08,  0.01)
176:     angle   (  2.207,   0.691,   9.393)  (  2.207,   0.691,   9.393)  ( 0.00,  0.00,  0.00)
176:     strbnd  ( -0.344,  -1.784,  -0.047)  ( -0.344,  -1.784,  -0.047)  ( 0.00,  0.00,  0.00)
176:     torsion ( -2.062,   0.385,   0.456)  ( -2.062,   0.385,   0.456)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.933,  -2.094,  -5.972)  (  0.933,  -2.094,  -5.971)  ( 0.00,  0.00,  0.00)
176:     electro (  0.346,   9.478,  -4.577)  (  0.346,   9.478,  -4.577)  ( 0.00,  0.00,  0.00)
176: ok 2 # gradients 
176: ok 3 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : fadvub.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
176:  1       (  0.032,  -0.022,  -0.017)  (  0.040,  -0.014,  -0.012)  ( 0.03,  0.02,  0.01)
176:     bond    (  4.193,  -0.133,   4.673)  (  4.200,  -0.126,   4.676)  ( 0.15,  0.09,  0.07)
176:     angle   (-17.099,  -3.471,  -8.358)  (-17.096,  -3.469,  -8.356)  ( 0.01,  0.07,  0.03)
176:     strbnd  (  4.695,   5.793,   5.057)  (  4.694,   5.792,   5.057)  ( 0.02,  0.01,  0.01)
176:     torsion ( -0.415,  -0.232,   3.381)  ( -0.415,  -0.232,   3.381)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.119,  -2.488,  -2.762)  ( -0.119,  -2.488,  -2.762)  ( 0.00,  0.00,  0.00)
176:     electro (  8.777,   0.508,  -2.008)  (  8.777,   0.508,  -2.008)  ( 0.00,  0.00,  0.00)
176:  2       ( -0.013,   0.003,   0.000)  ( -0.008,   0.006,   0.001)  ( 0.01,  0.00,  0.00)
176:     bond    (  1.103,  -0.872,   0.032)  (  1.108,  -0.869,   0.032)  ( 0.43,  0.26,  0.00)
176:     angle   (  5.971,   7.760,   4.115)  (  5.971,   7.760,   4.115)  ( 0.00,  0.01,  0.02)
176:     strbnd  ( -1.798,   1.228,  -0.204)  ( -1.798,   1.228,  -0.204)  ( 0.00,  0.01,  0.00)
176:     torsion ( -0.240,  -0.377,  -1.934)  ( -0.240,  -0.377,  -1.934)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -3.447,  -0.778,  -4.529)  ( -3.447,  -0.778,  -4.529)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.601,  -6.958,   2.522)  ( -1.601,  -6.958,   2.522)  ( 0.00,  0.00,  0.00)
176:  3       ( -0.004,   0.032,   0.024)  ( -0.000,   0.037,   0.026)  ( 0.00,  0.02,  0.00)
176:     bond    (  2.117,   3.479,   0.356)  (  2.120,   3.484,   0.357)  ( 0.15,  0.14,  0.04)
176:     angle   (  5.205,   1.489,   6.637)  (  5.206,   1.489,   6.638)  ( 0.02,  0.02,  0.01)
176:     strbnd  (  0.649,  -4.129,  -1.875)  (  0.649,  -4.130,  -1.875)  ( 0.00,  0.01,  0.01)
176:     torsion ( -1.574,   1.955,  -4.025)  ( -1.574,   1.955,  -4.025)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -1.957,  -2.115,  -2.420)  ( -1.957,  -2.115,  -2.420)  ( 0.00,  0.00,  0.00)
176:     electro ( -4.445,  -0.646,   1.351)  ( -4.445,  -0.646,   1.351)  ( 0.00,  0.00,  0.00)
176:  4       (  0.013,   0.008,   0.009)  (  0.018,   0.014,   0.015)  ( 0.01,  0.00,  0.01)
176:     bond    ( -4.350,  -2.902,   1.332)  ( -4.346,  -2.898,   1.336)  ( 0.09,  0.15,  0.33)
176:     angle   (  2.535,   3.636,  -0.898)  (  2.537,   3.638,  -0.897)  ( 0.07,  0.05,  0.15)
176:     strbnd  ( -0.741,  -1.162,   0.765)  ( -0.742,  -1.163,   0.764)  ( 0.06,  0.04,  0.04)
176:     torsion (  0.668,  -0.672,   0.545)  (  0.668,  -0.672,   0.545)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.251,   0.436,  -2.285)  (  0.251,   0.436,  -2.285)  ( 0.00,  0.00,  0.00)
176:     electro (  1.651,   0.673,   0.551)  (  1.651,   0.673,   0.551)  ( 0.00,  0.00,  0.00)
176:  5       ( -0.017,  -0.028,  -0.024)  ( -0.011,  -0.023,  -0.020)  ( 0.01,  0.01,  0.01)
176:     bond    ( -5.276,  10.539,   0.735)  ( -5.272,  10.543,   0.738)  ( 0.08,  0.04,  0.23)
176:     angle   (  5.214, -11.328,   4.079)  (  5.216, -11.326,   4.081)  ( 0.04,  0.02,  0.05)
176:     strbnd  (  0.208,   1.026,  -1.791)  (  0.207,   1.025,  -1.792)  ( 0.01,  0.09,  0.06)
176:     torsion (  1.012,   1.023,  -1.293)  (  1.012,   1.023,  -1.293)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -3.996,  -2.526,  -2.331)  ( -3.996,  -2.526,  -2.331)  ( 0.00,  0.00,  0.00)
176:     electro (  2.822,   1.238,   0.577)  (  2.822,   1.238,   0.577)  ( 0.00,  0.00,  0.00)
176:  6       (  0.047,   0.015,  -0.035)  (  0.053,   0.020,  -0.030)  ( 0.03,  0.01,  0.02)
176:     bond    (  3.643,  -8.573,  -2.156)  (  3.647,  -8.569,  -2.152)  ( 0.12,  0.05,  0.18)
176:     angle   ( -3.553,  12.963,  -7.820)  ( -3.551,  12.965,  -7.818)  ( 0.05,  0.02,  0.03)
176:     strbnd  (  3.941,  -0.711,   4.570)  (  3.941,  -0.712,   4.569)  ( 0.01,  0.05,  0.02)
176:     torsion ( -0.466,  -2.160,   2.319)  ( -0.466,  -2.160,   2.319)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -3.518,  -1.505,   3.052)  ( -3.518,  -1.505,   3.052)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:  7       (  0.020,   0.062,  -0.058)  ( -0.071,   0.288,  -0.172)  ( 0.18,  1.40,  0.66)
176:     bond    ( 11.219,  18.634,   3.192)  ( 11.222,  18.638,   3.196)  ( 0.03,  0.02,  0.12)
176:     angle   ( -2.190, -11.744,   1.811)  ( -2.188, -11.742,   1.813)  ( 0.09,  0.02,  0.12)
176:     strbnd  ( -6.827,  -7.330,  -8.396)  ( -6.828,  -7.331,  -8.397)  ( 0.01,  0.01,  0.01)
176:     torsion ( -2.070,   0.870,   0.194)  ( -2.070,   0.870,   0.194)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.043,  -2.385,   1.346)  (  0.948,  -2.164,   1.226)  ( 9.15,  9.24,  8.89)
176:     vdw     ( -0.143,   1.896,   2.023)  ( -0.143,   1.896,   2.023)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.011,   0.120,  -0.229)  ( -1.011,   0.120,  -0.229)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.037,  -0.036,   0.030)  ( -0.030,  -0.029,   0.037)  ( 0.03,  0.02,  0.02)
176:     bond    ( 31.436,  -5.462,  -8.582)  ( 31.441,  -5.456,  -8.577)  ( 0.02,  0.09,  0.06)
176:     angle   ( 24.318,   2.673, -13.460)  ( 24.320,   2.675, -13.458)  ( 0.01,  0.08,  0.02)
176:     strbnd  ( -3.349,   3.958,   4.185)  ( -3.349,   3.958,   4.185)  ( 0.01,  0.01,  0.01)
176:     torsion (  0.865,   0.668,  -0.128)  (  0.865,   0.668,  -0.128)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (-15.296,  -0.490,   6.181)  (-15.295,  -0.490,   6.182)  ( 0.00,  0.00,  0.00)
176:     electro (-38.012,  -1.383,  11.833)  (-38.012,  -1.383,  11.833)  ( 0.00,  0.01,  0.00)
176:  9       ( -0.084,   0.011,   0.103)  (  0.977,  -2.037,   1.266)  ( 8.96,  2.15, 12.00)
176:     bond    (-24.944,   7.709,  33.079)  (-24.940,   7.712,  33.088)  ( 0.01,  0.04,  0.03)
176:     angle   (-17.079,   0.187,  13.198)  (-17.077,   0.188,  13.199)  ( 0.01,  0.02,  0.01)
176:     strbnd  ( 11.466,  -5.334, -19.281)  ( 11.465,  -5.335, -19.282)  ( 0.01,  0.01,  0.01)
176:     torsion (  0.142,  -0.694,  -0.397)  (  0.142,  -0.694,  -0.396)  ( 0.00,  0.00,  0.00)
176:     oop     ( -4.647,   9.685,  -5.474)  ( -3.590,   7.635,  -4.320)  (22.74, 21.18, 21.08)
176:     vdw     (  6.485,  -1.479,  -2.117)  (  6.485,  -1.479,  -2.117)  ( 0.00,  0.00,  0.00)
176:     electro ( 28.493, -10.064, -18.905)  ( 28.493, -10.064, -18.904)  ( 0.00,  0.00,  0.00)
176: 10       (  0.052,  -0.027,  -0.107)  ( -0.475,   0.999,  -0.671)  ( 2.75,  2.73,  6.04)
176:     bond    (  7.223,  -4.901, -15.530)  (  7.224,  -4.900, -15.524)  ( 0.02,  0.01,  0.04)
176:     angle   ( -0.823,   0.087,  -0.410)  ( -0.822,   0.087,  -0.410)  ( 0.06,  0.00,  0.00)
176:     strbnd  ( -5.921,   2.262,   9.306)  ( -5.920,   2.262,   9.306)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.293,   0.686,  -0.353)  ( -0.293,   0.686,  -0.353)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.878,  -3.841,   2.086)  (  1.349,  -2.816,   1.517)  (28.20, 26.69, 27.32)
176:     vdw     ( 10.301,   3.828,   1.517)  ( 10.301,   3.828,   1.517)  ( 0.00,  0.00,  0.00)
176:     electro (-12.313,   1.852,   3.276)  (-12.313,   1.852,   3.276)  ( 0.00,  0.00,  0.00)
176: 11       (  0.001,  -0.001,  -0.007)  ( -0.428,   0.808,  -0.467)  ( 0.06,  0.12,  0.34)
176:     bond    ( -5.364, -10.247, -12.843)  ( -5.364, -10.244, -12.839)  ( 0.01,  0.02,  0.03)
176:     angle   ( 17.615,   2.690,  -9.506)  ( 17.616,   2.690,  -9.506)  ( 0.00,  0.00,  0.00)
176:     strbnd  ( -0.975,   4.889,   8.707)  ( -0.975,   4.889,   8.707)  ( 0.01,  0.00,  0.00)
176:     torsion (  0.208,  -0.464,   0.284)  (  0.208,  -0.464,   0.284)  ( 0.00,  0.00,  0.00)
176:     oop     (  1.725,  -3.462,   2.041)  (  1.294,  -2.654,   1.578)  (24.99, 23.32, 22.72)
176:     vdw     ( 20.549,   2.004,  -4.094)  ( 20.550,   2.004,  -4.094)  ( 0.00,  0.00,  0.00)
176:     electro (-33.756,   4.588,  15.404)  (-33.756,   4.588,  15.404)  ( 0.00,  0.00,  0.00)
176: 12       ( -0.014,  -0.020,  -0.003)  ( -0.011,  -0.018,  -0.003)  ( 0.00,  0.00,  0.00)
176:     bond    ( -2.108,  -1.364,   0.667)  ( -2.104,  -1.362,   0.667)  ( 0.15,  0.09,  0.02)
176:     angle   (  1.431,  -3.486,  -2.605)  (  1.431,  -3.486,  -2.605)  ( 0.00,  0.01,  0.01)
176:     strbnd  ( -0.286,  -0.078,   0.143)  ( -0.286,  -0.077,   0.143)  ( 0.00,  0.00,  0.00)
176:     torsion (  1.600,  -1.233,   2.529)  (  1.600,  -1.233,   2.529)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.031,  -0.022,  -0.112)  ( -0.031,  -0.022,  -0.112)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.620,   6.163,  -0.625)  ( -0.620,   6.163,  -0.625)  ( 0.00,  0.00,  0.00)
176: 13       ( -0.027,   0.011,  -0.004)  ( -0.024,   0.012,  -0.004)  ( 0.01,  0.00,  0.00)
176:     bond    (  0.777,  -0.529,   0.119)  (  0.779,  -0.528,   0.119)  ( 0.18,  0.06,  0.00)
176:     angle   ( -0.885,  -1.096,   0.925)  ( -0.884,  -1.096,   0.926)  ( 0.01,  0.03,  0.04)
176:     strbnd  ( -1.504,   0.684,  -0.090)  ( -1.504,   0.684,  -0.090)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.038,  -0.109,  -0.234)  ( -0.038,  -0.109,  -0.234)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.623,   1.061,  -0.724)  (  1.623,   1.061,  -0.724)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 14       ( -0.007,  -0.027,  -0.010)  ( -0.006,  -0.024,  -0.009)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.115,   1.126,   0.629)  (  0.115,   1.129,   0.630)  ( 0.00,  0.23,  0.05)
176:     angle   ( -0.934,  -0.881,   1.748)  ( -0.934,  -0.881,   1.748)  ( 0.05,  0.01,  0.02)
176:     strbnd  ( -0.363,  -1.245,  -0.504)  ( -0.363,  -1.245,  -0.504)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.233,   0.175,  -0.272)  ( -0.233,   0.175,  -0.272)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.409,   0.798,  -1.611)  (  1.409,   0.798,  -1.611)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 15       ( -0.001,  -0.003,  -0.008)  ( -0.000,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.078,   0.087,  -0.487)  ( -0.077,   0.087,  -0.484)  ( 0.00,  0.00,  0.16)
176:     angle   ( -0.356,  -1.049,  -0.131)  ( -0.355,  -1.048,  -0.131)  ( 0.02,  0.04,  0.00)
176:     strbnd  ( -0.107,  -0.325,   1.008)  ( -0.107,  -0.325,   1.008)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.227,   0.446,   0.116)  ( -0.227,   0.446,   0.116)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.767,   0.838,  -0.514)  (  0.767,   0.839,  -0.514)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 16       ( -0.007,   0.000,   0.002)  ( -0.004,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.169,  -0.061,   0.004)  (  0.172,  -0.060,   0.004)  ( 0.05,  0.00,  0.00)
176:     angle   (  1.751,   5.151,   2.051)  (  1.751,   5.151,   2.052)  ( 0.00,  0.01,  0.03)
176:     strbnd  ( -0.007,   0.573,  -0.048)  ( -0.007,   0.573,  -0.048)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.110,  -0.369,  -0.744)  ( -0.110,  -0.369,  -0.744)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -1.811,  -5.293,  -1.262)  ( -1.811,  -5.293,  -1.262)  ( 0.00,  0.00,  0.01)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 17       ( -0.003,  -0.013,   0.004)  ( -0.001,  -0.011,   0.005)  ( 0.00,  0.00,  0.00)
176:     bond    (  1.206,   1.529,  -0.696)  (  1.207,   1.530,  -0.695)  ( 0.10,  0.12,  0.03)
176:     angle   ( -0.729,  -0.235,  -1.783)  ( -0.729,  -0.235,  -1.782)  ( 0.02,  0.01,  0.03)
176:     strbnd  ( -0.850,  -0.116,   0.251)  ( -0.850,  -0.116,   0.251)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.296,   0.197,   0.948)  (  0.296,   0.197,   0.948)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.074,  -1.387,   1.283)  (  0.074,  -1.387,   1.284)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 18       ( -0.002,  -0.011,   0.015)  ( -0.001,  -0.009,   0.017)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.434,  -2.155,   1.394)  ( -0.434,  -2.153,   1.395)  ( 0.00,  0.11,  0.07)
176:     angle   (  1.665,  -1.741,  -2.169)  (  1.666,  -1.741,  -2.169)  ( 0.03,  0.01,  0.02)
176:     strbnd  (  0.479,   0.577,  -0.839)  (  0.479,   0.577,  -0.839)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.578,  -0.321,  -0.316)  (  0.578,  -0.321,  -0.316)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -2.290,   3.630,   1.944)  ( -2.290,   3.630,   1.945)  ( 0.00,  0.00,  0.01)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 19       ( -0.048,  -0.003,   0.010)  ( -0.045,  -0.002,   0.010)  ( 0.02,  0.00,  0.00)
176:     bond    (  3.011,  -0.074,  -0.795)  (  3.014,  -0.074,  -0.795)  ( 0.10,  0.00,  0.02)
176:     angle   (  0.861,   0.161,   3.246)  (  0.861,   0.162,   3.247)  ( 0.00,  0.01,  0.02)
176:     strbnd  ( -1.180,  -0.479,   0.265)  ( -1.180,  -0.479,   0.265)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.346,   0.357,  -1.346)  ( -0.346,   0.357,  -1.346)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -2.394,   0.033,  -1.359)  ( -2.394,   0.033,  -1.359)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 20       ( -0.003,  -0.042,   0.032)  ( -0.002,  -0.039,   0.034)  ( 0.00,  0.01,  0.00)
176:     bond    ( -0.042,   1.240,  -0.654)  ( -0.042,   1.243,  -0.653)  ( 0.00,  0.21,  0.05)
176:     angle   ( -0.781,  -1.615,  -3.020)  ( -0.780,  -1.614,  -3.020)  ( 0.04,  0.01,  0.02)
176:     strbnd  ( -0.130,   0.941,   1.010)  ( -0.130,   0.941,   1.010)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.609,   0.345,   0.616)  (  0.609,   0.345,   0.616)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.342,  -0.953,   2.080)  (  0.342,  -0.953,   2.080)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 21       (  0.012,   0.012,  -0.003)  (  0.014,   0.013,  -0.002)  ( 0.00,  0.00,  0.00)
176:     bond    (-16.919,  -7.195,  -8.595)  (-16.917,  -7.195,  -8.594)  ( 0.02,  0.01,  0.01)
176:     angle   ( -8.625,   3.959,  13.661)  ( -8.625,   3.959,  13.662)  ( 0.00,  0.01,  0.00)
176:     strbnd  (  0.614,  -0.231,  -0.297)  (  0.614,  -0.231,  -0.297)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.035,  -0.717,   0.668)  ( -0.035,  -0.717,   0.668)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -6.207,   2.647,   6.206)  ( -6.207,   2.647,   6.206)  ( 0.00,  0.00,  0.00)
176:     electro ( 31.183,   1.549, -11.648)  ( 31.183,   1.549, -11.648)  ( 0.00,  0.01,  0.00)
176: 22       (  0.006,   0.001,  -0.013)  (  0.008,   0.003,  -0.011)  ( 0.00,  0.00,  0.00)
176:     bond    ( -4.934,  -3.520,   6.017)  ( -4.932,  -3.519,   6.019)  ( 0.03,  0.02,  0.04)
176:     angle   ( -3.213,   0.593,  -2.286)  ( -3.213,   0.593,  -2.286)  ( 0.01,  0.03,  0.01)
176:     strbnd  (  1.267,  -0.292,  -1.268)  (  1.267,  -0.292,  -1.268)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.847,   0.124,  -0.622)  ( -0.847,   0.124,  -0.622)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.353,   0.460,   0.417)  ( -0.353,   0.460,   0.417)  ( 0.00,  0.00,  0.00)
176:     electro (  8.086,   2.636,  -2.271)  (  8.086,   2.636,  -2.271)  ( 0.00,  0.00,  0.00)
176: 23       (  0.007,   0.003,  -0.009)  (  0.008,   0.006,  -0.008)  ( 0.00,  0.00,  0.00)
176:     bond    ( -1.822,   3.586,  -1.944)  ( -1.821,   3.589,  -1.943)  ( 0.04,  0.08,  0.04)
176:     angle   (-10.320,  -4.719,   0.955)  (-10.319,  -4.719,   0.956)  ( 0.01,  0.00,  0.04)
176:     strbnd  (  0.722,  -0.493,  -0.668)  (  0.722,  -0.493,  -0.668)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.917,   0.500,   0.064)  (  0.917,   0.500,   0.064)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.240,   1.405,   1.413)  ( -0.240,   1.405,   1.413)  ( 0.00,  0.00,  0.00)
176:     electro ( 10.749,  -0.275,   0.171)  ( 10.749,  -0.275,   0.171)  ( 0.00,  0.00,  0.00)
176: ok 4 # gradients 
176: ok 5 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : fiybiy.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
176:  1       ( -0.037,   0.000,  -0.051)  ( -0.039,   0.006,  -0.047)  ( 0.01,  0.00,  0.02)
176:     bond    (  7.810,  -1.840,   7.980)  (  7.815,  -1.832,   7.984)  ( 0.05,  0.48,  0.05)
176:     angle   ( -4.687,  -2.600,  -7.659)  ( -4.685,  -2.598,  -7.656)  ( 0.05,  0.09,  0.03)
176:     strbnd  (  1.520,  -7.648,  19.637)  (  1.519,  -7.649,  19.636)  ( 0.05,  0.01,  0.00)
176:     torsion (  0.281,  -0.182,  -0.226)  (  0.281,  -0.182,  -0.226)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.047,   0.028,   0.008)  (  0.040,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
176:     vdw     ( -0.861,  -7.381,   0.991)  ( -0.861,  -7.381,   0.991)  ( 0.00,  0.00,  0.01)
176:     electro ( -4.147,  19.624, -20.782)  ( -4.147,  19.624, -20.782)  ( 0.00,  0.00,  0.00)
176:  2       (  0.015,  -0.021,  -0.013)  (  0.016,  -0.015,  -0.011)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.188,  -1.235,  -0.576)  (  0.188,  -1.229,  -0.574)  ( 0.00,  0.51,  0.08)
176:     angle   (  2.833,  -2.246,   5.734)  (  2.833,  -2.246,   5.734)  ( 0.02,  0.01,  0.01)
176:     strbnd  (  0.058,  -0.206,   0.531)  (  0.058,  -0.206,   0.531)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.582,  -0.145,   0.120)  ( -0.582,  -0.145,   0.120)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -2.490,  -0.763,  -6.600)  ( -2.490,  -0.763,  -6.600)  ( 0.00,  0.00,  0.00)
176:     electro (  0.009,   4.575,   0.778)  (  0.009,   4.575,   0.778)  ( 0.00,  0.00,  0.00)
176:  3       ( -0.083,   0.019,  -0.119)  ( -0.123,   0.094,  -0.069)  ( 0.34,  0.14,  0.60)
176:     bond    ( -1.055,   0.134,  -1.295)  ( -1.051,   0.134,  -1.289)  ( 0.35,  0.00,  0.43)
176:     angle   ( -0.395,  -0.549,   0.265)  ( -0.395,  -0.548,   0.265)  ( 0.02,  0.03,  0.01)
176:     strbnd  ( -4.612,   1.446,  -7.083)  ( -4.612,   1.446,  -7.083)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.187,   0.312,   0.185)  ( -0.187,   0.312,   0.185)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.225,  -0.371,  -0.222)  (  0.180,  -0.296,  -0.178)  ( 1.01,  2.75,  0.99)
176:     vdw     ( -0.123,   0.138,  -0.190)  ( -0.123,   0.138,  -0.190)  ( 0.00,  0.00,  0.00)
176:     electro (  6.064,  -1.092,   8.221)  (  6.064,  -1.092,   8.221)  ( 0.00,  0.00,  0.00)
176:  4       ( -0.072,  -0.017,  -0.030)  ( -0.094,   0.028,  -0.000)  ( 0.16,  0.08,  0.09)
176:     bond    ( -0.836,  -8.517,  13.382)  ( -0.832,  -8.516,  13.384)  ( 0.33,  0.01,  0.02)
176:     angle   (  7.130,   8.296, -11.537)  (  7.131,   8.297, -11.535)  ( 0.00,  0.01,  0.01)
176:     strbnd  ( -2.982,  -0.215,  -2.921)  ( -2.982,  -0.215,  -2.921)  ( 0.00,  0.00,  0.01)
176:     torsion (  0.423,   0.846,  -0.211)  (  0.423,   0.846,  -0.211)  ( 0.00,  0.01,  0.00)
176:     oop     (  0.186,  -0.302,  -0.180)  (  0.159,  -0.259,  -0.154)  ( 0.49,  1.29,  0.46)
176:     vdw     ( -2.535,   5.528,  -3.997)  ( -2.535,   5.528,  -3.997)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.458,  -5.655,   5.433)  ( -1.458,  -5.655,   5.433)  ( 0.00,  0.00,  0.00)
176:  5       (  0.010,   0.036,  -0.046)  ( -0.018,   0.093,  -0.011)  ( 0.03,  0.20,  0.16)
176:     bond    ( -5.684,   0.935,   3.018)  ( -5.681,   0.938,   3.021)  ( 0.04,  0.31,  0.10)
176:     angle   ( 19.037,   0.921,   3.045)  ( 19.039,   0.921,   3.046)  ( 0.01,  0.05,  0.03)
176:     strbnd  ( -4.528,   0.738,   3.763)  ( -4.528,   0.738,   3.763)  ( 0.01,  0.01,  0.00)
176:     torsion (  0.060,   0.659,   0.624)  (  0.060,   0.659,   0.624)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.189,  -0.311,  -0.184)  (  0.157,  -0.258,  -0.153)  ( 0.60,  1.64,  0.57)
176:     vdw     (-16.349, -10.170, -11.577)  (-16.349, -10.170, -11.576)  ( 0.00,  0.00,  0.00)
176:     electro (  7.284,   7.264,   1.264)  (  7.284,   7.264,   1.264)  ( 0.00,  0.00,  0.00)
176:  6       ( -0.067,   0.088,   0.083)  ( -0.052,   0.101,   0.090)  ( 0.10,  0.11,  0.06)
176:     bond    ( -0.701,  -2.222,  11.603)  ( -0.699,  -2.218,  11.607)  ( 0.11,  0.18,  0.03)
176:     angle   ( -0.364,  -2.925,  13.817)  ( -0.363,  -2.923,  13.819)  ( 0.02,  0.05,  0.01)
176:     strbnd  (  0.639,   2.955, -12.934)  (  0.639,   2.955, -12.935)  ( 0.00,  0.00,  0.00)
176:     torsion (  2.329,   1.562,   0.380)  (  2.330,   1.562,   0.380)  ( 0.03,  0.02,  0.00)
176:     oop     ( -0.074,  -0.043,  -0.014)  ( -0.062,  -0.036,  -0.012)  ( 0.09,  0.03,  0.00)
176:     vdw     ( -1.895,   0.720, -12.746)  ( -1.895,   0.720, -12.746)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.002,   0.041,  -0.023)  ( -0.002,   0.041,  -0.023)  ( 0.00,  0.00,  0.00)
176:  7       (  0.013,  -0.054,   0.044)  (  0.021,  -0.046,   0.052)  ( 0.01,  0.04,  0.03)
176:     bond    ( -7.170,  10.526,   6.570)  ( -7.169,  10.530,   6.576)  ( 0.02,  0.04,  0.08)
176:     angle   (  2.588,  -3.055,  -4.852)  (  2.588,  -3.053,  -4.850)  ( 0.02,  0.04,  0.03)
176:     strbnd  ( -1.496,   3.392,  -2.547)  ( -1.496,   3.392,  -2.547)  ( 0.00,  0.00,  0.01)
176:     torsion ( -1.418,  -0.816,  -0.200)  ( -1.417,  -0.816,  -0.200)  ( 0.07,  0.03,  0.00)
176:     oop     ( -0.027,  -0.014,  -0.002)  ( -0.022,  -0.012,  -0.002)  ( 0.01,  0.00,  0.00)
176:     vdw     (  6.692,  -9.975,  -2.511)  (  6.692,  -9.975,  -2.511)  ( 0.00,  0.00,  0.01)
176:     electro (  0.844,  -0.112,   3.586)  (  0.844,  -0.112,   3.586)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.029,   0.068,  -0.054)  ( -0.019,   0.078,  -0.046)  ( 0.03,  0.07,  0.04)
176:     bond    ( -5.733,  10.916,  -5.111)  ( -5.731,  10.920,  -5.106)  ( 0.03,  0.04,  0.10)
176:     angle   ( -0.069,   0.148,  -0.147)  ( -0.069,   0.149,  -0.145)  ( 0.00,  0.02,  0.02)
176:     strbnd  (  0.254,  -0.317,  -0.321)  (  0.254,  -0.317,  -0.321)  ( 0.00,  0.00,  0.01)
176:     torsion ( -0.506,  -0.295,  -0.082)  ( -0.505,  -0.294,  -0.082)  ( 0.05,  0.01,  0.00)
176:     oop     ( -0.039,  -0.023,  -0.006)  ( -0.033,  -0.019,  -0.005)  ( 0.03,  0.01,  0.00)
176:     vdw     (  5.846, -11.080,   5.290)  (  5.846, -11.080,   5.290)  ( 0.00,  0.00,  0.00)
176:     electro (  0.218,   0.720,   0.323)  (  0.218,   0.720,   0.323)  ( 0.00,  0.00,  0.00)
176:  9       ( -0.014,   0.016,  -0.063)  (  0.004,   0.030,  -0.053)  ( 0.02,  0.02,  0.06)
176:     bond    (  0.583,   2.170, -13.287)  (  0.585,   2.174, -13.282)  ( 0.09,  0.18,  0.04)
176:     angle   (  0.007,  -0.113,   0.340)  (  0.007,  -0.112,   0.341)  ( 0.00,  0.01,  0.06)
176:     strbnd  (  0.032,  -0.099,   0.170)  (  0.032,  -0.099,   0.170)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.193,  -0.115,  -0.023)  ( -0.192,  -0.114,  -0.023)  ( 0.02,  0.00,  0.00)
176:     oop     ( -0.086,  -0.051,  -0.013)  ( -0.072,  -0.043,  -0.011)  ( 0.13,  0.04,  0.00)
176:     vdw     ( -0.816,  -2.222,  14.046)  ( -0.816,  -2.222,  14.046)  ( 0.00,  0.00,  0.00)
176:     electro (  0.459,   0.446,  -1.294)  (  0.459,   0.446,  -1.294)  ( 0.00,  0.00,  0.00)
176: 10       (  0.012,  -0.026,   0.043)  (  0.023,  -0.017,   0.051)  ( 0.01,  0.03,  0.03)
176:     bond    (  6.512,  -8.973,  -7.628)  (  6.514,  -8.969,  -7.623)  ( 0.03,  0.05,  0.07)
176:     angle   (  0.058,  -0.079,  -0.055)  (  0.058,  -0.078,  -0.054)  ( 0.00,  0.01,  0.01)
176:     strbnd  ( -0.185,   0.392,  -0.179)  ( -0.185,   0.392,  -0.179)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.572,  -0.345,  -0.095)  ( -0.571,  -0.345,  -0.095)  ( 0.05,  0.01,  0.00)
176:     oop     ( -0.040,  -0.024,  -0.007)  ( -0.032,  -0.020,  -0.005)  ( 0.03,  0.01,  0.00)
176:     vdw     ( -6.571,   9.136,   7.766)  ( -6.571,   9.136,   7.766)  ( 0.00,  0.00,  0.00)
176:     electro (  0.809,  -0.133,   0.241)  (  0.809,  -0.133,   0.241)  ( 0.00,  0.00,  0.00)
176: 11       (  0.067,  -0.113,  -0.076)  (  0.083,  -0.099,  -0.068)  ( 0.11,  0.16,  0.06)
176:     bond    (  6.849, -12.437,   4.398)  (  6.851, -12.433,   4.404)  ( 0.02,  0.03,  0.12)
176:     angle   ( -2.678,   5.816,  -4.951)  ( -2.677,   5.818,  -4.949)  ( 0.02,  0.02,  0.03)
176:     strbnd  (  2.697,  -3.157,  -4.284)  (  2.697,  -3.158,  -4.284)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.703,  -1.064,  -0.247)  ( -1.702,  -1.063,  -0.247)  ( 0.06,  0.03,  0.00)
176:     oop     ( -0.078,  -0.050,  -0.010)  ( -0.065,  -0.042,  -0.009)  ( 0.10,  0.04,  0.00)
176:     vdw     ( -5.728,  10.270,   1.476)  ( -5.728,  10.270,   1.476)  ( 0.00,  0.00,  0.01)
176:     electro (  0.708,   0.510,   3.541)  (  0.708,   0.510,   3.542)  ( 0.00,  0.00,  0.00)
176: 12       (  0.104,  -0.040,   0.163)  (  0.215,  -0.206,   0.071)  ( 1.16,  0.66,  1.49)
176:     bond    ( 13.123,   9.974,  -3.258)  ( 13.130,   9.977,  -3.250)  ( 0.05,  0.02,  0.25)
176:     angle   (-14.649,   0.422,   3.858)  (-14.647,   0.423,   3.860)  ( 0.02,  0.06,  0.05)
176:     strbnd  (  6.144,   3.136,   1.986)  (  6.144,   3.135,   1.985)  ( 0.01,  0.02,  0.05)
176:     torsion (  0.114,  -1.966,  -1.386)  (  0.114,  -1.966,  -1.386)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.600,   0.982,   0.585)  ( -0.496,   0.813,   0.485)  ( 6.21, 16.58,  5.91)
176:     vdw     ( -6.672,   1.688,  -4.514)  ( -6.672,   1.688,  -4.514)  ( 0.00,  0.00,  0.00)
176:     electro (  2.643, -14.275,   2.893)  (  2.643, -14.275,   2.893)  ( 0.00,  0.00,  0.00)
176: 13       (  0.040,  -0.004,   0.029)  (  0.046,   0.002,   0.035)  ( 0.02,  0.00,  0.02)
176:     bond    ( -2.991,   1.047, -11.722)  ( -2.987,   1.051, -11.718)  ( 0.13,  0.39,  0.04)
176:     angle   ( -2.018,   2.285,   8.597)  ( -2.016,   2.287,   8.599)  ( 0.11,  0.09,  0.02)
176:     strbnd  (  2.619,  -2.990,   4.758)  (  2.618,  -2.991,   4.758)  ( 0.04,  0.03,  0.02)
176:     torsion ( -0.041,  -0.092,   0.175)  ( -0.041,  -0.092,   0.175)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( 14.014,   8.530,   0.129)  ( 14.014,   8.530,   0.129)  ( 0.00,  0.00,  0.00)
176:     electro (-11.542,  -8.783,  -1.908)  (-11.542,  -8.783,  -1.908)  ( 0.00,  0.00,  0.00)
176: 14       (  0.024,  -0.010,   0.034)  (  0.029,  -0.005,   0.040)  ( 0.01,  0.00,  0.02)
176:     bond    ( -4.655,   3.822,  -2.177)  ( -4.651,   3.826,  -2.172)  ( 0.08,  0.10,  0.21)
176:     angle   ( -4.059,  -1.702,  -4.245)  ( -4.057,  -1.700,  -4.243)  ( 0.05,  0.12,  0.05)
176:     strbnd  (  2.089,   1.563,   0.776)  (  2.088,   1.562,   0.776)  ( 0.05,  0.07,  0.03)
176:     torsion (  0.938,   1.048,   1.864)  (  0.938,   1.048,   1.864)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  3.794,  -3.935,   2.717)  (  3.794,  -3.935,   2.717)  ( 0.00,  0.00,  0.00)
176:     electro (  1.918,  -0.806,   1.098)  (  1.918,  -0.806,   1.098)  ( 0.00,  0.00,  0.00)
176: 15       ( -0.042,  -0.017,   0.014)  ( -0.037,  -0.011,   0.020)  ( 0.02,  0.01,  0.01)
176:     bond    ( -6.167,  -3.752,   0.389)  ( -6.163,  -3.748,   0.393)  ( 0.07,  0.11,  0.18)
176:     angle   (  3.378,   1.344,  -4.652)  (  3.380,   1.345,  -4.650)  ( 0.06,  0.14,  0.04)
176:     strbnd  (  0.915,   0.369,  -0.380)  (  0.914,   0.369,  -0.380)  ( 0.08,  0.02,  0.02)
176:     torsion (  1.467,  -0.659,   4.905)  (  1.467,  -0.659,   4.905)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.366,   2.682,  -0.248)  (  0.366,   2.682,  -0.248)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 16       (  0.001,  -0.001,  -0.009)  ( -0.007,  -0.004,  -0.008)  ( 0.00,  0.00,  0.00)
176:     bond    ( -1.392,   1.999,   1.715)  ( -1.392,   2.000,   1.716)  ( 0.06,  0.08,  0.07)
176:     angle   ( -0.390,   1.079,  -1.575)  ( -0.390,   1.079,  -1.575)  ( 0.00,  0.02,  0.03)
176:     strbnd  (  0.199,  -0.272,  -0.384)  (  0.199,  -0.272,  -0.384)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.947,   0.545,   0.133)  (  0.948,   0.545,   0.133)  ( 0.02,  0.00,  0.00)
176:     oop     (  0.050,   0.029,   0.007)  (  0.041,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
176:     vdw     (  1.566,  -2.362,   2.661)  (  1.566,  -2.362,   2.662)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.979,  -1.018,  -2.566)  ( -0.979,  -1.018,  -2.566)  ( 0.00,  0.00,  0.00)
176: 17       (  0.013,  -0.037,   0.011)  (  0.006,  -0.039,   0.010)  ( 0.01,  0.01,  0.00)
176:     bond    ( -1.079,   2.138,  -1.059)  ( -1.078,   2.140,  -1.059)  ( 0.06,  0.12,  0.06)
176:     angle   (  0.033,  -0.019,  -0.072)  (  0.033,  -0.019,  -0.072)  ( 0.00,  0.00,  0.00)
176:     strbnd  (  0.329,  -0.679,   0.351)  (  0.329,  -0.679,   0.351)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.254,   0.148,   0.041)  (  0.254,   0.148,   0.041)  ( 0.01,  0.00,  0.00)
176:     oop     (  0.051,   0.029,   0.008)  (  0.042,   0.025,   0.007)  ( 0.04,  0.01,  0.00)
176:     vdw     (  0.321,  -0.617,   0.307)  (  0.321,  -0.617,   0.307)  ( 0.00,  0.00,  0.00)
176:     electro (  0.104,  -1.037,   0.435)  (  0.104,  -1.037,   0.435)  ( 0.00,  0.00,  0.00)
176: 18       ( -0.002,  -0.001,   0.010)  ( -0.012,  -0.006,   0.011)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.172,   0.436,  -2.694)  (  0.172,   0.436,  -2.691)  ( 0.00,  0.00,  0.13)
176:     angle   (  0.012,   0.006,   0.002)  (  0.012,   0.006,   0.002)  ( 0.00,  0.00,  0.00)
176:     strbnd  ( -0.076,  -0.152,   0.941)  ( -0.076,  -0.152,   0.941)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.138,   0.082,   0.022)  (  0.138,   0.082,   0.022)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.066,   0.040,   0.011)  (  0.055,   0.033,   0.009)  ( 0.07,  0.03,  0.00)
176:     vdw     ( -0.039,  -0.117,   0.755)  ( -0.039,  -0.117,   0.755)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.275,  -0.295,   0.974)  ( -0.275,  -0.295,   0.974)  ( 0.00,  0.00,  0.00)
176: 19       ( -0.010,   0.002,   0.007)  ( -0.018,  -0.002,   0.007)  ( 0.01,  0.00,  0.00)
176:     bond    (  1.319,  -1.740,  -1.572)  (  1.320,  -1.739,  -1.570)  ( 0.07,  0.09,  0.08)
176:     angle   ( -0.010,   0.055,  -0.071)  ( -0.010,   0.056,  -0.070)  ( 0.00,  0.00,  0.00)
176:     strbnd  ( -0.440,   0.556,   0.528)  ( -0.440,   0.556,   0.528)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.286,   0.174,   0.048)  (  0.286,   0.174,   0.048)  ( 0.01,  0.00,  0.00)
176:     oop     (  0.057,   0.035,   0.009)  (  0.048,   0.029,   0.008)  ( 0.05,  0.02,  0.00)
176:     vdw     ( -0.364,   0.499,   0.452)  ( -0.364,   0.499,   0.452)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.858,   0.422,   0.612)  ( -0.858,   0.422,   0.612)  ( 0.00,  0.00,  0.00)
176: 20       ( -0.011,   0.019,  -0.003)  ( -0.022,   0.014,  -0.004)  ( 0.01,  0.01,  0.00)
176:     bond    (  1.065,  -1.923,   0.931)  (  1.066,  -1.921,   0.932)  ( 0.07,  0.13,  0.05)
176:     angle   (  0.816,  -0.719,  -2.417)  (  0.816,  -0.719,  -2.416)  ( 0.01,  0.00,  0.02)
176:     strbnd  ( -0.179,   0.321,  -0.263)  ( -0.179,   0.321,  -0.263)  ( 0.00,  0.00,  0.00)
176:     torsion (  1.157,   0.723,   0.167)  (  1.157,   0.723,   0.167)  ( 0.02,  0.01,  0.00)
176:     oop     (  0.072,   0.045,   0.011)  (  0.060,   0.037,   0.009)  ( 0.09,  0.03,  0.00)
176:     vdw     ( -1.141,   1.967,   4.393)  ( -1.141,   1.967,   4.393)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.800,  -0.394,  -2.826)  ( -1.800,  -0.394,  -2.826)  ( 0.00,  0.00,  0.00)
176: 21       ( -0.002,  -0.005,  -0.023)  ( -0.001,  -0.004,  -0.021)  ( 0.00,  0.00,  0.01)
176:     bond    (  1.444,  -1.170,  -2.502)  (  1.445,  -1.169,  -2.500)  ( 0.05,  0.04,  0.09)
176:     angle   ( -2.245,  -3.938,   0.544)  ( -2.244,  -3.937,   0.544)  ( 0.02,  0.01,  0.01)
176:     strbnd  ( -0.862,   0.401,  -0.476)  ( -0.862,   0.401,  -0.476)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.116,  -0.117,  -0.590)  ( -1.116,  -0.117,  -0.590)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.776,   4.819,   3.001)  (  2.776,   4.819,   3.001)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 22       ( -0.015,   0.012,  -0.030)  ( -0.014,   0.013,  -0.028)  ( 0.00,  0.00,  0.01)
176:     bond    (  0.154,  -0.044,   0.213)  (  0.155,  -0.044,   0.215)  ( 0.02,  0.00,  0.05)
176:     angle   ( -3.150,   0.346,   2.340)  ( -3.150,   0.346,   2.340)  ( 0.01,  0.02,  0.01)
176:     strbnd  ( -1.019,   0.402,  -1.027)  ( -1.019,   0.402,  -1.027)  ( 0.00,  0.00,  0.00)
176:     torsion (  1.025,  -0.593,  -0.859)  (  1.025,  -0.593,  -0.859)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.975,  -0.099,  -0.696)  (  2.975,  -0.099,  -0.696)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 23       ( -0.002,  -0.007,  -0.010)  ( -0.000,  -0.006,  -0.007)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.844,   0.674,   1.498)  ( -0.843,   0.674,   1.500)  ( 0.06,  0.03,  0.15)
176:     angle   (  0.780,   0.980,  -0.002)  (  0.780,   0.980,  -0.002)  ( 0.03,  0.05,  0.00)
176:     strbnd  ( -0.246,   0.126,  -0.182)  ( -0.246,   0.126,  -0.182)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.955,  -0.263,  -0.980)  ( -1.955,  -0.263,  -0.980)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.263,  -1.523,  -0.342)  (  2.263,  -1.523,  -0.342)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 24       (  0.008,  -0.004,  -0.001)  (  0.009,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.400,  -1.579,   0.234)  (  0.400,  -1.576,   0.235)  ( 0.01,  0.20,  0.00)
176:     angle   ( -0.974,   0.080,   2.199)  ( -0.974,   0.080,   2.199)  ( 0.05,  0.00,  0.02)
176:     strbnd  ( -0.565,   0.621,  -0.074)  ( -0.565,   0.621,  -0.074)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.236,  -0.429,  -2.483)  ( -0.236,  -0.429,  -2.483)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.383,   1.303,   0.122)  (  1.383,   1.303,   0.122)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 25       ( -0.003,   0.003,   0.000)  ( -0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.527,   0.046,  -0.630)  ( -0.526,   0.046,  -0.628)  ( 0.07,  0.00,  0.13)
176:     angle   ( -0.726,  -0.901,   0.541)  ( -0.725,  -0.901,   0.541)  ( 0.02,  0.04,  0.01)
176:     strbnd  ( -0.277,  -0.238,   0.153)  ( -0.277,  -0.238,   0.153)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.187,  -0.339,  -0.181)  (  0.187,  -0.338,  -0.181)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.340,   1.434,   0.118)  (  1.340,   1.434,   0.118)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 26       (  0.006,  -0.002,  -0.020)  (  0.007,  -0.001,  -0.018)  ( 0.00,  0.00,  0.01)
176:     bond    ( -0.838,   0.546,   1.494)  ( -0.837,   0.547,   1.496)  ( 0.06,  0.02,  0.16)
176:     angle   ( -0.275,  -2.955,   0.926)  ( -0.274,  -2.954,   0.926)  ( 0.01,  0.02,  0.01)
176:     strbnd  ( -0.022,  -0.439,  -0.536)  ( -0.022,  -0.439,  -0.536)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.106,   1.318,  -1.100)  ( -1.106,   1.318,  -1.100)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.246,   1.528,  -0.804)  (  2.246,   1.528,  -0.804)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: ok 6 # gradients 
176: ok 7 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : fizgok.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
176:  1       (  0.075,   0.147,  -0.085)  (  0.082,   0.159,  -0.080)  ( 0.05,  0.19,  0.04)
176:     bond    ( -7.838,  -3.903,  -3.643)  ( -7.834,  -3.894,  -3.639)  ( 0.06,  0.21,  0.11)
176:     angle   (  7.377, -14.044,  12.273)  (  7.380, -14.042,  12.275)  ( 0.04,  0.02,  0.02)
176:     strbnd  (  0.657,   1.642,  -0.343)  (  0.656,   1.641,  -0.344)  ( 0.08,  0.06,  0.04)
176:     torsion ( -0.045,   0.673,  -0.372)  ( -0.045,   0.673,  -0.371)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.007,  -0.027,   0.009)  ( -0.007,  -0.024,   0.008)  ( 0.00,  0.01,  0.00)
176:     vdw     ( -0.525,  -6.965,   3.135)  ( -0.525,  -6.965,   3.135)  ( 0.00,  0.00,  0.00)
176:     electro (  0.455,  22.771, -11.143)  (  0.455,  22.771, -11.143)  ( 0.00,  0.00,  0.00)
176:  2       (  1.636,  -0.294,   0.523)  (  1.645,  -0.288,   0.526)  ( 0.60,  0.19,  0.15)
176:     bond    (-11.204,   8.407,  18.715)  (-11.196,   8.408,  18.718)  ( 0.07,  0.01,  0.02)
176:     angle   (  0.078,   5.582,   5.314)  (  0.080,   5.582,   5.316)  ( 0.01,  0.01,  0.04)
176:     strbnd  ( 14.683, -10.263, -21.918)  ( 14.682, -10.263, -21.919)  ( 0.01,  0.00,  0.00)
176:     torsion (  0.150,   0.067,  -0.035)  (  0.150,   0.067,  -0.035)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.011,  -0.041,   0.013)  ( -0.010,  -0.036,   0.012)  ( 0.00,  0.02,  0.00)
176:     vdw     ( -1.009,  -4.181,  -1.167)  ( -1.009,  -4.181,  -1.167)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.053,   0.135,  -0.399)  ( -1.053,   0.135,  -0.399)  ( 0.00,  0.00,  0.00)
176:  3       ( -1.196,  -0.099,  -1.352)  ( -1.194,  -0.124,  -1.338)  ( 0.11,  0.25,  1.02)
176:     bond    ( -4.431,   5.571,  14.123)  ( -4.424,   5.572,  14.127)  ( 0.17,  0.01,  0.03)
176:     angle   (  2.807,  -2.317,  -5.897)  (  2.808,  -2.317,  -5.895)  ( 0.05,  0.01,  0.04)
176:     strbnd  ( -0.396,  -3.222, -10.930)  ( -0.396,  -3.222, -10.931)  ( 0.03,  0.00,  0.01)
176:     torsion (  0.009,   0.024,  -0.016)  (  0.009,   0.024,  -0.016)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.040,   0.151,  -0.046)  (  0.033,   0.124,  -0.038)  ( 0.03,  0.41,  0.04)
176:     vdw     ( -1.180,  -0.564,  -1.315)  ( -1.180,  -0.564,  -1.315)  ( 0.00,  0.00,  0.00)
176:     electro (  1.956,   0.259,   2.729)  (  1.956,   0.259,   2.729)  ( 0.00,  0.00,  0.00)
176:  4       ( -0.453,   0.371,   0.817)  ( -0.453,   0.347,   0.833)  ( 0.03,  0.90,  1.31)
176:     bond    ( 11.836,  -5.927,  -8.661)  ( 11.841,  -5.926,  -8.655)  ( 0.04,  0.01,  0.08)
176:     angle   ( -4.489,   2.870,   4.414)  ( -4.487,   2.870,   4.415)  ( 0.05,  0.01,  0.03)
176:     strbnd  ( -9.187,   3.979,   4.504)  ( -9.187,   3.979,   4.504)  ( 0.01,  0.00,  0.01)
176:     torsion ( -0.003,   0.015,   0.000)  ( -0.003,   0.016,   0.000)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.040,   0.146,  -0.047)  (  0.033,   0.121,  -0.038)  ( 0.03,  0.38,  0.04)
176:     vdw     ( -1.795,  -0.128,  -0.448)  ( -1.795,  -0.128,  -0.448)  ( 0.00,  0.00,  0.00)
176:     electro (  3.145,  -0.584,   1.055)  (  3.145,  -0.584,   1.055)  ( 0.00,  0.00,  0.00)
176:  5       ( -0.041,   0.004,   0.038)  ( -0.035,   0.010,   0.045)  ( 0.02,  0.00,  0.03)
176:     bond    ( 13.675,  -9.287, -16.484)  ( 13.679,  -9.286, -16.477)  ( 0.03,  0.01,  0.04)
176:     angle   (  6.589,   0.956,  -3.854)  (  6.590,   0.957,  -3.852)  ( 0.03,  0.06,  0.04)
176:     strbnd  (-16.570,  11.056,  19.409)  (-16.571,  11.055,  19.409)  ( 0.01,  0.00,  0.00)
176:     torsion (  0.066,   0.138,   0.084)  (  0.066,   0.138,   0.084)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.010,  -0.039,   0.012)  ( -0.009,  -0.035,   0.011)  ( 0.00,  0.02,  0.00)
176:     vdw     ( -3.074,  -2.716,   1.743)  ( -3.074,  -2.716,   1.743)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.716,  -0.103,  -0.873)  ( -0.716,  -0.103,  -0.873)  ( 0.00,  0.00,  0.00)
176:  6       (  0.013,  -0.004,  -0.008)  (  0.016,   0.001,  -0.008)  ( 0.00,  0.00,  0.00)
176:     bond    ( 11.948,  -5.575,  -8.525)  ( 11.950,  -5.574,  -8.524)  ( 0.01,  0.01,  0.01)
176:     angle   ( -0.801,  -0.056,  -1.086)  ( -0.801,  -0.057,  -1.085)  ( 0.01,  0.00,  0.03)
176:     strbnd  (-17.035,   8.265,  13.244)  (-17.035,   8.265,  13.244)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.428,  -0.249,  -1.278)  ( -0.428,  -0.249,  -1.277)  ( 0.00,  0.00,  0.07)
175:     oop     ( -0.000,   0.003,   0.773)  ( -0.000,   0.003,   0.645)  ( 0.00,  0.00,  9.94)
175:     vdw     ( -6.893,  11.755,   0.015)  ( -6.893,  11.755,   0.015)  ( 0.00,  0.00,  0.00)
175:     electro (  1.393,  -2.782,  -0.018)  (  1.393,  -2.782,  -0.018)  ( 0.00,  0.00,  0.00)
175:  7       ( -6.398,  -0.930,  -0.886)  ( -6.384,  -0.921,  -0.765)  ( 0.22,  0.80, 10.80)
175:     bond    ( 14.169,   8.086,   0.243)  ( 14.182,   8.092,   0.243)  ( 0.09,  0.08,  0.01)
175:     angle   (-42.998, -14.458,  -0.436)  (-42.996, -14.456,  -0.436)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( 11.153,   0.471,   0.082)  ( 11.151,   0.470,   0.082)  ( 0.01,  0.04,  0.00)
175:     torsion ( -0.004,  -0.002,   0.375)  ( -0.004,  -0.002,   0.376)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.003,  -0.000,  -0.845)  (  0.003,  -0.000,  -0.724)  ( 0.00,  0.00, 10.22)
175:     vdw     ( -7.050,  -0.891,  -0.311)  ( -7.050,  -0.891,  -0.311)  ( 0.00,  0.01,  0.00)
175:     electro ( 18.330,   5.865,   0.006)  ( 18.330,   5.865,   0.006)  ( 0.00,  0.00,  0.00)
175:  8       (-50.729,  -2.197,  -0.507)  (-50.718,  -2.195,  -0.575)  ( 0.02,  0.05,  3.43)
175:     bond    (-33.079,   0.439,  -0.219)  (-33.068,   0.439,  -0.220)  ( 0.03,  0.01,  0.00)
175:     angle   (  0.010,   0.811,   0.102)  (  0.010,   0.812,   0.102)  ( 0.00,  0.09,  0.00)
175:     strbnd  (-14.392,  -0.434,  -0.079)  (-14.392,  -0.434,  -0.079)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,  -0.000,  -0.096)  (  0.001,  -0.000,  -0.096)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.002,  -0.000,   0.361)  ( -0.002,  -0.000,   0.293)  ( 0.00,  0.00,  2.44)
175:     vdw     ( -5.725,  -2.617,  -0.509)  ( -5.725,  -2.617,  -0.509)  ( 0.00,  0.01,  0.00)
175:     electro (  2.458,  -0.395,  -0.067)  (  2.458,  -0.395,  -0.067)  ( 0.00,  0.00,  0.00)
175:  9       (-32.034, -12.171,  -0.517)  (-32.026, -12.162,  -0.554)  ( 0.03,  0.07,  1.89)
175:     bond    (-31.682, -14.421,  -0.455)  (-31.675, -14.415,  -0.455)  ( 0.02,  0.04,  0.00)
175:     angle   (  5.174,   7.290,   0.065)  (  5.177,   7.293,   0.066)  ( 0.05,  0.03,  0.00)
175:     strbnd  ( -6.582,  -2.350,  -0.240)  ( -6.583,  -2.351,  -0.240)  ( 0.02,  0.05,  0.00)
175:     torsion (  0.000,   0.005,  -0.080)  (  0.000,   0.005,  -0.079)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.001,  -0.003,   0.207)  ( -0.000,  -0.002,   0.169)  ( 0.00,  0.00,  0.78)
175:     vdw     (  1.438,  -3.381,  -0.019)  (  1.438,  -3.381,  -0.019)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.381,   0.689,   0.005)  ( -0.381,   0.689,   0.005)  ( 0.00,  0.00,  0.00)
175: 10       (-11.709, -23.421,  -0.019)  (-11.704, -23.415,  -0.082)  ( 0.04,  0.03,  0.12)
175:     bond    (-32.483, -35.767,  -0.526)  (-32.480, -35.763,  -0.526)  ( 0.01,  0.01,  0.01)
175:     angle   ( 26.625,   6.434,  -0.197)  ( 26.627,   6.434,  -0.197)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -1.629,   3.816,   0.065)  ( -1.629,   3.816,   0.065)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.008,  -0.005,   0.486)  (  0.008,  -0.005,   0.486)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.002,  -0.005,   0.355)  (  0.001,  -0.005,   0.291)  ( 0.00,  0.00,  2.26)
175:     vdw     ( -3.198,  -3.532,  -0.228)  ( -3.198,  -3.531,  -0.228)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.035,   5.639,   0.027)  ( -1.035,   5.639,   0.027)  ( 0.00,  0.00,  0.00)
175: 11       ( 35.827,   8.607,  -0.338)  ( 35.834,   8.614,  -0.245)  ( 0.02,  0.08,  3.13)
175:     bond    ( 44.495,  11.383,   0.093)  ( 44.502,  11.390,   0.093)  ( 0.01,  0.06,  0.00)
175:     angle   ( -0.477,  -4.825,  -0.116)  ( -0.475,  -4.823,  -0.116)  ( 0.09,  0.05,  0.00)
175:     strbnd  (-12.211,   2.309,   0.059)  (-12.213,   2.308,   0.059)  ( 0.02,  0.02,  0.00)
175:     torsion ( -0.001,  -0.001,   0.053)  ( -0.001,  -0.001,   0.054)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,   0.010,  -0.488)  ( -0.000,   0.008,  -0.397)  ( 0.00,  0.00,  4.49)
175:     vdw     (  4.096,  -0.193,   0.062)  (  4.096,  -0.193,   0.062)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.073,  -0.076,  -0.001)  ( -0.073,  -0.076,  -0.001)  ( 0.00,  0.00,  0.00)
175: 12       ( 16.696,   4.159,   1.198)  ( 16.701,   4.165,   1.188)  ( 0.03,  0.16,  0.77)
175:     bond    ( 20.776,   7.319,   0.909)  ( 20.781,   7.324,   0.914)  ( 0.02,  0.06,  0.43)
175:     angle   (-13.754,  -4.812,  -0.102)  (-13.752,  -4.809,  -0.101)  ( 0.01,  0.04,  0.02)
175:     strbnd  ( 12.427,   3.908,   0.157)  ( 12.424,   3.908,   0.156)  ( 0.02,  0.02,  0.01)
175:     torsion ( -0.002,  -0.005,   0.222)  ( -0.002,  -0.005,   0.222)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.001,  -0.001,   0.057)  ( -0.000,  -0.001,   0.042)  ( 0.00,  0.00,  0.09)
175:     vdw     ( -1.953,  -4.180,  -0.065)  ( -1.953,  -4.180,  -0.065)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.796,   1.928,   0.020)  ( -0.796,   1.928,   0.020)  ( 0.00,  0.00,  0.00)
175: 13       (-13.757,  -4.403,   1.127)  (-13.752,  -4.397,   1.147)  ( 0.04,  0.15,  1.78)
175:     bond    (-22.923,  -0.335,   0.145)  (-22.919,  -0.330,   0.150)  ( 0.02,  0.16,  0.07)
175:     angle   (  7.410,   2.850,  -0.382)  (  7.411,   2.852,  -0.380)  ( 0.03,  0.07,  0.06)
175:     strbnd  (  0.558,  -0.831,  -0.003)  (  0.557,  -0.831,  -0.003)  ( 0.07,  0.03,  0.00)
175:     torsion (  0.051,  -3.726,   1.437)  (  0.051,  -3.726,   1.438)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.001,  -0.000,  -0.079)  ( -0.001,  -0.000,  -0.065)  ( 0.00,  0.00,  0.11)
175:     vdw     (  6.098,  -3.967,   0.005)  (  6.098,  -3.967,   0.005)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.950,   1.606,   0.003)  ( -4.950,   1.606,   0.003)  ( 0.00,  0.00,  0.00)
175: 14       (  9.355, -11.349,   3.836)  (  9.361, -11.344,   3.856)  ( 0.06,  0.05,  0.53)
175:     bond    ( 11.197, -20.692,  -0.065)  ( 11.201, -20.688,  -0.061)  ( 0.04,  0.02,  0.03)
175:     angle   ( -3.458,   7.005,  -0.620)  ( -3.456,   7.007,  -0.619)  ( 0.06,  0.03,  0.09)
175:     strbnd  (  0.022,   0.227,   0.010)  (  0.021,   0.226,   0.009)  ( 0.00,  0.02,  0.00)
175:     torsion (  2.182,   1.253,   4.593)  (  2.182,   1.253,   4.593)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,  -0.001,  -0.092)  (  0.000,  -0.001,  -0.078)  ( 0.00,  0.00,  0.13)
175:     vdw     ( -4.679,   7.355,  -0.008)  ( -4.679,   7.355,  -0.008)  ( 0.00,  0.00,  0.00)
175:     electro (  4.091,  -6.495,   0.019)  (  4.091,  -6.495,   0.019)  ( 0.00,  0.00,  0.00)
175: 15       ( -0.465,   5.538,   0.483)  ( -0.465,   5.543,   0.432)  ( 0.04,  0.09,  2.45)
175:     bond    ( -0.036,   7.926,   0.175)  ( -0.036,   7.930,   0.175)  ( 0.00,  0.05,  0.00)
175:     angle   ( -5.802,  -0.026,  -0.014)  ( -5.802,  -0.026,  -0.014)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  3.604,  -0.129,  -0.013)  (  3.604,  -0.129,  -0.013)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,  -0.003,   0.136)  (  0.001,  -0.003,   0.136)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,  -0.005,   0.223)  (  0.000,  -0.004,   0.172)  ( 0.00,  0.00,  1.13)
175:     vdw     (  1.248,  -1.217,  -0.011)  (  1.248,  -1.217,  -0.011)  ( 0.00,  0.00,  0.00)
175:     electro (  0.520,  -1.008,  -0.012)  (  0.520,  -1.008,  -0.012)  ( 0.00,  0.00,  0.00)
175: 16       (  3.795,  -2.075,  -0.170)  (  3.796,  -2.072,  -0.169)  ( 0.02,  0.17,  0.01)
175:     bond    ( -0.033,  -1.994,  -0.084)  ( -0.033,  -1.991,  -0.084)  ( 0.00,  0.17,  0.00)
175:     angle   (  5.569,  -0.090,  -0.056)  (  5.570,  -0.090,  -0.056)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  2.049,   1.116,   0.067)  (  2.049,   1.116,   0.067)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,   0.000,  -0.009)  (  0.000,   0.000,  -0.009)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.791,  -1.108,  -0.087)  ( -3.791,  -1.108,  -0.087)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 17       (  3.734,   1.697,   3.317)  (  3.735,   1.697,   3.320)  ( 0.03,  0.05,  0.08)
175:     bond    ( -0.653,   0.424,   1.150)  ( -0.653,   0.424,   1.152)  ( 0.05,  0.01,  0.21)
175:     angle   (  4.116,   2.173,   1.530)  (  4.116,   2.174,   1.530)  ( 0.01,  0.02,  0.01)
175:     strbnd  (  2.185,   0.599,  -0.219)  (  2.185,   0.599,  -0.219)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.003,  -0.008,   0.004)  (  0.003,  -0.008,   0.004)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.916,  -1.492,   0.852)  ( -1.916,  -1.492,   0.852)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 18       (  3.357,   1.877,  -3.735)  (  3.358,   1.877,  -3.733)  ( 0.04,  0.05,  0.07)
175:     bond    ( -0.951,   0.766,  -1.640)  ( -0.950,   0.766,  -1.638)  ( 0.07,  0.04,  0.14)
175:     angle   (  4.217,   2.283,  -1.378)  (  4.217,   2.284,  -1.377)  ( 0.01,  0.02,  0.01)
175:     strbnd  (  2.195,   0.574,   0.319)  (  2.195,   0.574,   0.319)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.003,   0.007,   0.005)  ( -0.003,   0.007,   0.005)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.102,  -1.754,  -1.042)  ( -2.101,  -1.754,  -1.042)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 19       ( -0.948,   1.749,  -2.994)  ( -0.947,   1.750,  -2.991)  ( 0.08,  0.04,  0.10)
175:     bond    (  0.687,   0.547,  -1.969)  (  0.688,   0.547,  -1.967)  ( 0.02,  0.01,  0.15)
175:     angle   ( -2.117,   0.190,  -0.687)  ( -2.116,   0.190,  -0.687)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -1.351,  -0.031,   0.069)  ( -1.351,  -0.031,   0.069)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.009,   1.344,   0.371)  ( -0.009,   1.344,   0.371)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.840,  -0.300,  -0.777)  (  1.840,  -0.300,  -0.777)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       (  3.214,  -1.427,   1.320)  (  3.215,  -1.424,   1.320)  ( 0.03,  0.21,  0.05)
175:     bond    (  0.757,  -1.956,   0.504)  (  0.757,  -1.953,   0.504)  ( 0.03,  0.15,  0.01)
175:     angle   ( -2.944,  -1.085,   0.217)  ( -2.943,  -1.085,   0.218)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -1.362,   0.055,  -0.006)  ( -1.362,   0.055,  -0.006)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,  -0.023,  -0.087)  ( -0.001,  -0.023,  -0.087)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.765,   1.580,   0.691)  (  6.765,   1.580,   0.691)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 21       (  1.311,   2.298,   1.796)  (  1.312,   2.300,   1.798)  ( 0.07,  0.08,  0.10)
175:     bond    (  0.773,   1.536,   1.536)  (  0.773,   1.538,   1.538)  ( 0.03,  0.10,  0.10)
175:     angle   ( -2.380,   0.642,   0.554)  ( -2.380,   0.642,   0.554)  ( 0.02,  0.02,  0.01)
175:     strbnd  ( -1.349,  -0.045,  -0.017)  ( -1.349,  -0.045,  -0.017)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.034,   1.670,  -1.653)  ( -0.034,   1.670,  -1.653)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.301,  -1.506,   1.375)  (  4.301,  -1.506,   1.375)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       ( -2.919,   0.875,   1.448)  ( -2.916,   0.876,   1.450)  ( 0.08,  0.06,  0.11)
175:     bond    ( -1.870,  -0.110,   1.417)  ( -1.868,  -0.110,   1.418)  ( 0.12,  0.00,  0.09)
175:     angle   (  0.520,  -2.593,   0.484)  (  0.520,  -2.593,   0.484)  ( 0.01,  0.02,  0.01)
175:     strbnd  (  0.654,  -1.205,   0.011)  (  0.654,  -1.205,   0.011)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.476,  -0.834,  -2.010)  ( -1.476,  -0.834,  -2.010)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.746,   5.617,   1.547)  ( -0.746,   5.617,   1.547)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       ( -2.177,   4.626,   0.844)  ( -2.175,   4.628,   0.845)  ( 0.08,  0.05,  0.06)
175:     bond    (  1.483,   1.776,   0.765)  (  1.485,   1.778,   0.766)  ( 0.09,  0.10,  0.03)
175:     angle   (  2.624,  -2.307,   0.268)  (  2.625,  -2.307,   0.268)  ( 0.01,  0.01,  0.01)
175:     strbnd  (  0.634,  -1.241,  -0.006)  (  0.634,  -1.242,  -0.006)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.519,   0.264,  -1.620)  (  0.519,   0.264,  -1.620)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -7.437,   6.134,   1.436)  ( -7.437,   6.134,   1.436)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       ( -0.385,  -1.508,  -3.050)  ( -0.385,  -1.508,  -3.047)  ( 0.03,  0.04,  0.10)
175:     bond    ( -0.615,   0.404,  -1.895)  ( -0.615,   0.404,  -1.892)  ( 0.02,  0.01,  0.16)
175:     angle   (  0.873,  -1.806,  -0.669)  (  0.873,  -1.806,  -0.669)  ( 0.04,  0.03,  0.01)
175:     strbnd  (  0.665,  -1.206,   0.041)  (  0.665,  -1.206,   0.041)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.796,  -0.434,   0.166)  ( -0.796,  -0.434,   0.166)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.512,   1.534,  -0.692)  ( -0.512,   1.534,  -0.692)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 20 # gradients 
175: ok 21 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       (  0.967,   0.259,  -0.197)  (  0.972,   0.264,  -0.191)  ( 0.49,  0.14,  0.12)
175:     bond    (  0.905,   2.623,   8.120)  (  0.909,   2.627,   8.124)  ( 0.37,  0.15,  0.05)
175:     angle   (  7.385,   0.772,  -9.892)  (  7.388,   0.774,  -9.889)  ( 0.03,  0.16,  0.02)
175:     strbnd  (  0.181,   1.490,  -0.840)  (  0.180,   1.489,  -0.841)  ( 0.02,  0.06,  0.05)
175:     torsion ( -3.658,  -1.057,   2.616)  ( -3.658,  -1.057,   2.616)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.221,  -3.068,  -0.045)  ( -3.221,  -3.068,  -0.045)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.625,  -0.501,  -0.156)  ( -0.625,  -0.501,  -0.156)  ( 0.00,  0.00,  0.00)
175:  2       (  0.736,   0.034,   0.004)  (  0.742,   0.039,   0.010)  ( 0.41,  0.02,  0.00)
175:     bond    ( 11.123,  -1.351,  -2.048)  ( 11.127,  -1.347,  -2.044)  ( 0.04,  0.29,  0.21)
175:     angle   ( -8.045,   1.278,   9.737)  ( -8.043,   1.280,   9.739)  ( 0.03,  0.16,  0.02)
175:     strbnd  (  0.965,  -2.280,   1.631)  (  0.965,  -2.281,   1.630)  ( 0.07,  0.04,  0.02)
175:     torsion (  4.294,   0.736,  -3.479)  (  4.294,   0.736,  -3.478)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -7.601,   1.652,  -5.836)  ( -7.601,   1.652,  -5.836)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       (  0.562,   0.076,  -0.092)  (  0.566,   0.081,  -0.087)  ( 0.27,  0.04,  0.05)
175:     bond    (  6.097,  -9.677,  17.390)  (  6.101,  -9.673,  17.394)  ( 0.06,  0.04,  0.02)
175:     angle   ( -1.378,   4.252, -13.110)  ( -1.376,   4.254, -13.108)  ( 0.15,  0.05,  0.02)
175:     strbnd  (  0.257,   0.181,  -0.552)  (  0.256,   0.180,  -0.552)  ( 0.03,  0.01,  0.03)
175:     torsion ( -0.355,   2.764,   0.802)  ( -0.355,   2.764,   0.802)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.059,   2.557,  -4.623)  ( -4.059,   2.557,  -4.623)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  4       (  1.701,   0.453,   0.308)  (  1.706,   0.472,   0.382)  ( 0.30,  0.89,  2.27)
175:     bond    (  8.642,  10.885,  -8.146)  (  8.646,  10.889,  -8.142)  ( 0.04,  0.04,  0.05)
175:     angle   ( -7.598,  -8.113,  12.883)  ( -7.596,  -8.111,  12.884)  ( 0.03,  0.02,  0.01)
175:     strbnd  ( -1.384,   1.903,  -1.050)  ( -1.385,   1.903,  -1.050)  ( 0.08,  0.03,  0.05)
175:     torsion (  3.685,   2.177,  -4.847)  (  3.685,   2.177,  -4.846)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.002,  -0.088,  -0.446)  ( -0.002,  -0.075,  -0.377)  ( 0.00,  0.12,  3.03)
175:     vdw     ( -1.895,  -6.707,   1.430)  ( -1.894,  -6.706,   1.430)  ( 0.00,  0.00,  0.00)
175:     electro (  0.253,   0.395,   0.484)  (  0.253,   0.395,   0.484)  ( 0.00,  0.00,  0.00)
175:  5       ( -7.881,   4.561,  -0.394)  ( -7.870,   4.527,  -0.600)  ( 0.14,  0.76,  8.12)
175:     bond    (-12.705,  14.137,  -1.636)  (-12.697,  14.141,  -1.636)  ( 0.06,  0.03,  0.02)
175:     angle   (  1.253,   3.126,  -9.477)  (  1.254,   3.128,  -9.476)  ( 0.12,  0.05,  0.01)
175:     strbnd  (  1.419,  -3.117,   0.027)  (  1.419,  -3.117,   0.027)  ( 0.04,  0.02,  0.00)
175:     torsion ( -0.255,   1.581,   7.797)  ( -0.255,   1.581,   7.798)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.011,   0.244,   1.272)  ( -0.008,   0.203,   1.063)  ( 0.00,  0.98, 16.38)
175:     vdw     (  0.999, -11.742,   1.783)  (  0.999, -11.742,   1.783)  ( 0.02,  0.00,  0.00)
175:     electro (  1.419,   0.332,  -0.159)  (  1.419,   0.332,  -0.159)  ( 0.00,  0.00,  0.00)
175:  6       (  8.807,  -4.640,   1.194)  (  8.816,  -4.626,   1.216)  ( 0.11,  0.29,  1.77)
175:     bond    (  3.884,   4.853,  -0.204)  (  3.892,   4.858,  -0.204)  ( 0.19,  0.11,  0.01)
175:     angle   (  1.621,  -0.921,   2.154)  (  1.622,  -0.919,   2.155)  ( 0.08,  0.16,  0.02)
175:     strbnd  ( -1.690,   1.656,  -0.349)  ( -1.691,   1.655,  -0.349)  ( 0.04,  0.03,  0.00)
175:     torsion ( -0.062,  -0.722,  -2.668)  ( -0.062,  -0.722,  -2.667)  ( 0.00,  0.00,  0.04)
175:     oop     ( -0.011,  -0.030,  -0.074)  ( -0.010,  -0.023,  -0.055)  ( 0.00,  0.02,  0.14)
175:     vdw     (  4.938,  -9.590,   2.718)  (  4.938,  -9.589,   2.718)  ( 0.00,  0.00,  0.00)
175:     electro (  0.127,   0.114,  -0.383)  (  0.127,   0.114,  -0.383)  ( 0.00,  0.00,  0.00)
175:  7       ( -0.810,   0.444,  -0.283)  ( -0.806,   0.452,  -0.254)  ( 0.32,  0.37,  0.83)
175:     bond    (-11.282,  11.208,   0.541)  (-11.278,  11.212,   0.545)  ( 0.04,  0.03,  0.24)
175:     angle   (  9.286,  -4.053,  -3.402)  (  9.288,  -4.051,  -3.400)  ( 0.02,  0.05,  0.04)
175:     strbnd  (  0.811,  -0.072,  -0.853)  (  0.810,  -0.073,  -0.854)  ( 0.06,  0.01,  0.03)
175:     torsion ( -1.331,  -0.869,   0.696)  ( -1.331,  -0.869,   0.696)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.009,  -0.020,  -0.131)  (  0.007,  -0.017,  -0.108)  ( 0.00,  0.01,  0.31)
175:     vdw     (  0.881,  -5.592,   2.703)  (  0.881,  -5.592,   2.703)  ( 0.01,  0.00,  0.00)
175:     electro (  0.815,  -0.158,   0.163)  (  0.815,  -0.158,   0.163)  ( 0.00,  0.00,  0.00)
175:  8       (  0.736,   0.178,   0.067)  (  0.740,   0.183,   0.072)  ( 0.35,  0.09,  0.04)
175:     bond    ( -1.261,  -2.729, -19.147)  ( -1.258,  -2.725, -19.143)  ( 0.27,  0.13,  0.02)
175:     angle   ( -9.942,   7.503,  26.405)  ( -9.940,   7.505,  26.407)  ( 0.02,  0.03,  0.01)
175:     strbnd  (  4.138,   2.113,   0.872)  (  4.137,   2.112,   0.871)  ( 0.02,  0.04,  0.03)
175:     torsion (  2.267,  -2.809,  -7.166)  (  2.267,  -2.809,  -7.166)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.533,  -3.900,  -0.897)  (  5.533,  -3.899,  -0.897)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       (  0.364,   0.232,  -0.008)  (  0.369,   0.237,  -0.002)  ( 0.20,  0.11,  0.00)
175:     bond    ( -6.983,  11.163,   5.799)  ( -6.980,  11.166,   5.803)  ( 0.06,  0.03,  0.07)
175:     angle   (  6.589,   0.564, -10.864)  (  6.592,   0.566, -10.862)  ( 0.04,  0.12,  0.02)
175:     strbnd  ( -4.331,  -9.696,   0.323)  ( -4.332,  -9.697,   0.323)  ( 0.02,  0.01,  0.01)
175:     torsion (  0.192,   1.536,   1.287)  (  0.192,   1.536,   1.287)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.897,  -3.334,   3.446)  (  4.897,  -3.334,   3.447)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 10       (  0.279,   0.320,   0.215)  (  0.284,   0.326,   0.221)  ( 0.13,  0.18,  0.13)
175:     bond    (  3.926,  16.947,  -8.842)  (  3.929,  16.951,  -8.838)  ( 0.09,  0.02,  0.05)
175:     angle   ( -6.642,  -8.727,   8.491)  ( -6.640,  -8.725,   8.493)  ( 0.03,  0.02,  0.02)
175:     strbnd  ( -1.913,  -4.925,   2.830)  ( -1.914,  -4.925,   2.830)  ( 0.05,  0.01,  0.02)
175:     torsion ( -1.013,  -0.173,  -1.195)  ( -1.013,  -0.173,  -1.195)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.922,  -2.802,  -1.070)  (  5.922,  -2.802,  -1.070)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 11       (  0.045,   0.535,   0.496)  (  0.051,   0.539,   0.502)  ( 0.03,  0.24,  0.29)
175:     bond    (-22.008,  -2.471,  -8.891)  (-22.004,  -2.468,  -8.886)  ( 0.02,  0.14,  0.05)
175:     angle   ( 15.128,   5.024,   5.636)  ( 15.130,   5.026,   5.638)  ( 0.01,  0.04,  0.03)
175:     strbnd  (  6.334,   1.549,   3.089)  (  6.333,   1.548,   3.089)  ( 0.01,  0.06,  0.02)
175:     torsion ( -1.616,   1.448,   1.166)  ( -1.616,   1.448,   1.166)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.209,  -5.015,  -0.504)  (  2.209,  -5.015,  -0.504)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 12       (  0.018,  -0.028,  -0.133)  (  0.022,  -0.023,  -0.128)  ( 0.01,  0.01,  0.07)
175:     bond    (-12.958,  14.537,  15.529)  (-12.956,  14.540,  15.533)  ( 0.02,  0.02,  0.03)
175:     angle   (  5.486, -21.711, -16.528)  (  5.488, -21.709, -16.526)  ( 0.04,  0.01,  0.01)
175:     strbnd  (  4.156,   8.341,  -1.058)  (  4.155,   8.340,  -1.059)  ( 0.02,  0.01,  0.04)
175:     torsion (  0.521,  -0.105,  -0.116)  (  0.521,  -0.105,  -0.116)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.814,  -1.090,   2.040)  (  2.814,  -1.090,   2.040)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       ( -0.345,  -0.098,  -0.425)  ( -0.340,  -0.093,  -0.420)  ( 0.16,  0.05,  0.21)
175:     bond    ( 19.196, -25.927,  -5.472)  ( 19.199, -25.923,  -5.468)  ( 0.02,  0.01,  0.07)
175:     angle   (-20.973,  31.110,   6.384)  (-20.971,  31.112,   6.386)  ( 0.01,  0.01,  0.03)
175:     strbnd  ( -1.801,  -4.659,   1.967)  ( -1.802,  -4.660,   1.966)  ( 0.04,  0.02,  0.03)
175:     torsion (  2.190,  -1.303,  -1.287)  (  2.190,  -1.303,  -1.287)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.043,   0.681,  -2.017)  (  1.043,   0.681,  -2.017)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 14       ( -0.307,  -0.668,  -1.189)  ( -0.302,  -0.663,  -1.183)  ( 0.14,  0.32,  0.49)
175:     bond    (-22.467,  22.959, -11.970)  (-22.463,  22.963, -11.965)  ( 0.01,  0.02,  0.04)
175:     angle   ( 20.677, -26.111,   8.252)  ( 20.679, -26.109,   8.254)  ( 0.01,  0.01,  0.02)
175:     strbnd  (  1.372,  -1.663,  -0.432)  (  1.371,  -1.664,  -0.432)  ( 0.07,  0.05,  0.02)
175:     torsion ( -0.738,   1.381,   1.027)  ( -0.738,   1.381,   1.027)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.849,   2.766,   1.934)  (  0.849,   2.766,   1.934)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 15       ( -0.779,  -0.703,  -0.742)  ( -0.774,  -0.698,  -0.735)  ( 0.36,  0.34,  0.45)
175:     bond    ( 11.046, -27.491,   7.813)  ( 11.049, -27.488,   7.817)  ( 0.03,  0.01,  0.06)
175:     angle   (-13.695,  29.364,  -9.854)  (-13.693,  29.366,  -9.852)  ( 0.01,  0.01,  0.02)
175:     strbnd  ( -1.160,   1.909,  -1.027)  ( -1.161,   1.909,  -1.027)  ( 0.08,  0.04,  0.03)
175:     torsion (  0.502,  -0.879,  -1.143)  (  0.502,  -0.879,  -1.143)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.527,  -3.606,   3.470)  (  2.528,  -3.606,   3.470)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 16       ( -1.065,  -0.614,   1.036)  ( -1.061,  -0.609,   1.042)  ( 0.45,  0.30,  0.57)
175:     bond    ( -9.763,  20.766,  -9.836)  ( -9.759,  20.769,  -9.832)  ( 0.04,  0.02,  0.05)
175:     angle   (  9.857, -21.778,   9.882)  (  9.859, -21.776,   9.884)  ( 0.02,  0.01,  0.02)
175:     strbnd  (  0.357,   0.332,   0.998)  (  0.356,   0.331,   0.998)  ( 0.03,  0.03,  0.03)
175:     torsion ( -0.978,   0.700,   0.353)  ( -0.978,   0.700,   0.353)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.539,  -0.634,  -0.360)  ( -0.539,  -0.634,  -0.360)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 17       ( -1.087,  -1.069,   0.177)  ( -1.083,  -1.064,   0.183)  ( 0.43,  0.46,  0.10)
175:     bond    ( -1.901, -13.454,  13.464)  ( -1.897, -13.450,  13.468)  ( 0.18,  0.03,  0.03)
175:     angle   (  1.193,   9.826, -16.679)  (  1.195,   9.828, -16.677)  ( 0.18,  0.02,  0.01)
175:     strbnd  ( -3.337,   0.795,   1.409)  ( -3.338,   0.794,   1.408)  ( 0.03,  0.08,  0.02)
175:     torsion (  0.974,   1.005,   1.909)  (  0.974,   1.005,   1.909)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.983,   0.759,   0.074)  (  1.983,   0.759,   0.074)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 18       ( -0.972,  -1.131,   0.537)  ( -0.966,  -1.126,   0.543)  ( 0.57,  0.45,  0.31)
175:     bond    (  8.970,  -7.168,  -3.472)  (  8.974,  -7.164,  -3.467)  ( 0.05,  0.06,  0.13)
175:     angle   ( -7.660,   2.779,   4.648)  ( -7.658,   2.781,   4.650)  ( 0.02,  0.07,  0.04)
175:     strbnd  ( -0.534,  -1.586,   1.106)  ( -0.535,  -1.587,   1.106)  ( 0.03,  0.05,  0.04)
175:     torsion ( -0.534,  -0.161,  -0.695)  ( -0.534,  -0.161,  -0.695)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.214,   5.005,  -1.050)  ( -1.214,   5.005,  -1.050)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 19       ( -0.892,  -1.390,  -0.413)  ( -0.887,  -1.384,  -0.407)  ( 0.44,  0.43,  0.23)
175:     bond    (-14.431,   0.239,  -5.354)  (-14.427,   0.243,  -5.350)  ( 0.03,  0.11,  0.08)
175:     angle   (  5.190,  -0.465,   6.381)  (  5.192,  -0.463,   6.382)  ( 0.04,  0.09,  0.03)
175:     strbnd  (  2.347,  -0.745,   1.442)  (  2.346,  -0.746,   1.441)  ( 0.04,  0.03,  0.03)
175:     torsion (  0.871,  -0.786,  -1.907)  (  0.871,  -0.786,  -1.907)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.131,   0.367,  -0.974)  (  5.131,   0.367,  -0.974)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       ( -1.255,   0.127,  -0.110)  ( -1.249,   0.133,  -0.106)  ( 0.48,  0.08,  0.05)
175:     bond    (  4.252,  -7.565,  15.329)  (  4.256,  -7.560,  15.333)  ( 0.11,  0.06,  0.03)
175:     angle   (  1.408,   3.130,  -7.552)  (  1.409,   3.132,  -7.550)  ( 0.13,  0.06,  0.03)
175:     strbnd  (  0.392,   0.525,  -4.232)  (  0.392,   0.524,  -4.233)  ( 0.02,  0.03,  0.02)
175:     torsion ( -2.747,   1.008,   0.725)  ( -2.747,   1.008,   0.725)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.560,   3.029,  -4.380)  ( -4.560,   3.029,  -4.380)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 21       (  0.264,   0.125,  -0.017)  (  0.269,   0.129,  -0.012)  ( 0.13,  0.06,  0.01)
175:     bond    ( 20.008,  -3.510,  -2.218)  ( 20.012,  -3.507,  -2.215)  ( 0.02,  0.09,  0.15)
175:     angle   (-15.231,  -7.030,   0.649)  (-15.229,  -7.028,   0.651)  ( 0.01,  0.03,  0.15)
175:     strbnd  ( -8.351,  11.149,   4.002)  ( -8.352,  11.148,   4.001)  ( 0.01,  0.01,  0.02)
175:     torsion (  1.984,  -2.010,  -1.712)  (  1.984,  -2.010,  -1.712)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.854,   1.526,  -0.737)  (  1.854,   1.526,  -0.737)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       (  0.427,   0.342,  -0.042)  (  0.433,   0.348,  -0.037)  ( 0.25,  0.20,  0.02)
175:     bond    (  4.959,  -8.811, -19.046)  (  4.964,  -8.806, -19.042)  ( 0.09,  0.05,  0.02)
175:     angle   ( -3.781,   3.630,  13.839)  ( -3.779,   3.632,  13.841)  ( 0.05,  0.05,  0.01)
175:     strbnd  (  1.990,  -1.284,  -2.382)  (  1.989,  -1.285,  -2.383)  ( 0.02,  0.04,  0.04)
175:     torsion ( -0.424,  -0.578,   0.131)  ( -0.424,  -0.578,   0.131)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.317,   7.386,   7.417)  ( -2.317,   7.386,   7.417)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       (  0.262,   0.237,   0.013)  (  0.267,   0.243,   0.019)  ( 0.12,  0.14,  0.01)
175:     bond    ( -9.101, -14.027,  14.486)  ( -9.097, -14.023,  14.490)  ( 0.04,  0.03,  0.03)
175:     angle   ( 10.251,   5.425, -14.704)  ( 10.253,   5.427, -14.702)  ( 0.02,  0.04,  0.01)
175:     strbnd  (  4.541,  -0.227,   0.888)  (  4.540,  -0.227,   0.888)  ( 0.02,  0.01,  0.06)
175:     torsion ( -1.610,   3.720,   3.452)  ( -1.610,   3.720,   3.452)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.819,   5.346,  -4.109)  ( -3.819,   5.346,  -4.109)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       (  0.357,   0.362,   0.364)  (  0.362,   0.367,   0.370)  ( 0.18,  0.17,  0.22)
175:     bond    ( 21.264, -13.824,  -2.826)  ( 21.268, -13.820,  -2.821)  ( 0.02,  0.03,  0.16)
175:     angle   (-16.268,  12.918,  11.920)  (-16.266,  12.920,  11.922)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -2.042,  -2.702,   2.306)  ( -2.043,  -2.703,   2.305)  ( 0.04,  0.04,  0.01)
175:     torsion (  0.242,  -0.309,  -3.665)  (  0.242,  -0.309,  -3.665)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.840,   4.280,  -7.371)  ( -2.839,   4.280,  -7.371)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       (  0.298,   0.643,   0.076)  (  0.302,   0.648,   0.081)  ( 0.13,  0.32,  0.04)
175:     bond    (-17.007,  -1.605,  19.177)  (-17.004,  -1.602,  19.181)  ( 0.02,  0.21,  0.02)
175:     angle   ( 20.289, -11.578, -20.050)  ( 20.291, -11.576, -20.048)  ( 0.01,  0.02,  0.01)
175:     strbnd  (  0.219,   4.268,  -0.478)  (  0.218,   4.267,  -0.478)  ( 0.02,  0.02,  0.02)
175:     torsion ( -1.834,   2.984,   4.550)  ( -1.834,   2.984,   4.550)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.369,   6.574,  -3.124)  ( -1.369,   6.574,  -3.124)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       (  1.237,  -0.464,   0.129)  (  1.240,  -0.447,   0.209)  ( 0.28,  0.80,  1.04)
175:     bond    ( 15.847,  -1.098,  -7.962)  ( 15.850,  -1.095,  -7.959)  ( 0.02,  0.29,  0.04)
175:     angle   (-11.285,  -1.723,  11.202)  (-11.283,  -1.722,  11.203)  ( 0.02,  0.12,  0.02)
175:     strbnd  ( -2.536,   2.403,   1.664)  ( -2.537,   2.402,   1.663)  ( 0.03,  0.03,  0.04)
175:     torsion (  1.195,  -2.901,  -3.945)  (  1.195,  -2.901,  -3.945)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.005,  -0.076,  -0.452)  (  0.004,  -0.063,  -0.376)  ( 0.00,  0.10,  3.40)
175:     vdw     ( -1.368,   2.242,  -0.525)  ( -1.367,   2.242,  -0.525)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.621,   0.690,   0.148)  ( -0.621,   0.690,   0.148)  ( 0.00,  0.00,  0.00)
175: 27       (  0.236,   0.612,   0.037)  (  0.242,   0.618,   0.042)  ( 0.14,  0.35,  0.02)
175:     bond    (  5.055, -10.233, -17.302)  (  5.059, -10.229, -17.298)  ( 0.09,  0.04,  0.02)
175:     angle   ( -3.183,   7.842,  10.800)  ( -3.181,   7.843,  10.802)  ( 0.06,  0.02,  0.02)
175:     strbnd  (  1.203,   0.907,  -0.607)  (  1.203,   0.907,  -0.608)  ( 0.04,  0.05,  0.06)
175:     torsion ( -0.959,  -0.405,  -0.114)  ( -0.959,  -0.405,  -0.114)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.881,   2.501,   7.260)  ( -1.880,   2.501,   7.260)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 28       (  0.896,  -0.479,  -0.925)  (  0.900,  -0.477,  -0.920)  ( 0.38,  0.08,  0.45)
175:     bond    (  7.820,   3.623,  -3.208)  (  7.824,   3.624,  -3.204)  ( 0.05,  0.03,  0.12)
175:     angle   ( -2.167,   1.247,   4.426)  ( -2.166,   1.247,   4.428)  ( 0.01,  0.03,  0.03)
175:     strbnd  (  0.310,   0.219,   0.140)  (  0.310,   0.219,   0.140)  ( 0.00,  0.00,  0.01)
175:     torsion (  0.871,  -2.454,  -0.635)  (  0.871,  -2.454,  -0.635)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.614,  -2.920,  -1.379)  ( -3.614,  -2.920,  -1.379)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.324,  -0.193,  -0.270)  ( -2.323,  -0.193,  -0.270)  ( 0.00,  0.00,  0.00)
175: 29       (  0.408,   0.492,   0.031)  (  0.409,   0.493,   0.034)  ( 0.03,  0.06,  0.01)
175:     bond    ( -1.093,   2.730,   5.745)  ( -1.093,   2.731,   5.748)  ( 0.01,  0.02,  0.04)
175:     angle   ( -0.447,  -1.804,   0.772)  ( -0.446,  -1.803,   0.772)  ( 0.03,  0.03,  0.01)
175:     strbnd  ( -0.651,  -1.825,  -2.101)  ( -0.651,  -1.825,  -2.101)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.322,  -0.173,   0.334)  (  1.322,  -0.173,   0.334)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.277,   1.563,  -4.719)  (  1.277,   1.563,  -4.719)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       (  0.503,   0.033,   0.106)  (  0.504,   0.034,   0.109)  ( 0.04,  0.00,  0.03)
175:     bond    (  0.388,  -0.566,  -1.877)  (  0.388,  -0.566,  -1.874)  ( 0.01,  0.02,  0.16)
175:     angle   ( -1.222,   1.435,  -0.686)  ( -1.222,   1.436,  -0.686)  ( 0.05,  0.04,  0.00)
175:     strbnd  ( -0.562,   0.515,   1.009)  ( -0.562,   0.515,   1.009)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.037,   0.246,  -0.289)  ( -1.037,   0.246,  -0.289)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.936,  -1.598,   1.950)  (  2.936,  -1.598,   1.950)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 31       (  0.438,   0.182,   0.134)  (  0.439,   0.183,   0.137)  ( 0.04,  0.02,  0.04)
175:     bond    ( -1.114,   1.979,   6.032)  ( -1.114,   1.980,   6.035)  ( 0.01,  0.02,  0.05)
175:     angle   ( -0.690,   1.900,  -0.751)  ( -0.689,   1.901,  -0.751)  ( 0.04,  0.03,  0.01)
175:     strbnd  (  0.022,  -0.078,  -2.039)  (  0.022,  -0.078,  -2.039)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.783,   1.067,  -0.206)  (  0.783,   1.067,  -0.206)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.437,  -4.688,  -2.903)  (  1.437,  -4.687,  -2.903)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 32       (  1.763,   0.235,  -0.010)  (  1.764,   0.236,  -0.007)  ( 0.05,  0.03,  0.00)
175:     bond    ( -0.495,   1.091,   2.241)  ( -0.495,   1.092,   2.244)  ( 0.01,  0.06,  0.12)
175:     angle   ( -0.145,   0.135,  -0.098)  ( -0.144,   0.135,  -0.098)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -0.003,  -0.325,  -0.202)  ( -0.003,  -0.325,  -0.202)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.861,   0.535,   0.150)  (  1.861,   0.535,   0.150)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.545,  -1.202,  -2.101)  (  0.545,  -1.202,  -2.101)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 33       (  0.648,   0.036,  -0.155)  (  0.650,   0.037,  -0.153)  ( 0.11,  0.00,  0.03)
175:     bond    (  2.130,  -0.511,   2.443)  (  2.132,  -0.511,   2.445)  ( 0.07,  0.00,  0.08)
175:     angle   (  2.580,  -0.905,  -2.439)  (  2.580,  -0.904,  -2.439)  ( 0.01,  0.05,  0.01)
175:     strbnd  ( -0.613,   0.221,  -1.607)  ( -0.613,   0.221,  -1.607)  ( 0.00,  0.00,  0.00)
175:     torsion ( -2.226,   0.124,   1.967)  ( -2.226,   0.125,   1.967)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.223,   1.107,  -0.518)  ( -1.223,   1.107,  -0.518)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 34       (  0.623,  -0.025,  -0.099)  (  0.624,  -0.024,  -0.096)  ( 0.07,  0.00,  0.02)
175:     bond    (  1.205,  -1.083,  -2.206)  (  1.205,  -1.082,  -2.204)  ( 0.05,  0.05,  0.10)
175:     angle   (  4.429,  -0.679,   2.755)  (  4.430,  -0.679,   2.755)  ( 0.01,  0.03,  0.01)
175:     strbnd  ( -0.025,   0.560,   1.229)  ( -0.025,   0.560,   1.229)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.189,  -0.747,  -0.284)  ( -1.189,  -0.747,  -0.284)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.797,   1.923,  -1.593)  ( -3.797,   1.923,  -1.593)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 35       (  0.727,   0.236,   0.113)  (  0.728,   0.237,   0.115)  ( 0.07,  0.02,  0.03)
175:     bond    ( -1.135,   1.111,   3.160)  ( -1.134,   1.111,   3.163)  ( 0.03,  0.03,  0.08)
175:     angle   (  2.191,   0.137,   0.737)  (  2.191,   0.138,   0.737)  ( 0.03,  0.01,  0.01)
175:     strbnd  (  1.028,  -1.182,  -0.643)  (  1.028,  -1.182,  -0.643)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.059,  -1.190,   0.439)  (  0.059,  -1.190,   0.439)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.416,   1.359,  -3.581)  ( -1.416,   1.359,  -3.581)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 36       (  0.488,   0.270,  -0.116)  (  0.489,   0.274,  -0.116)  ( 0.04,  0.09,  0.01)
175:     bond    (  0.456,  -2.299,   0.220)  (  0.456,  -2.296,   0.220)  ( 0.01,  0.14,  0.00)
175:     angle   (  2.467,   0.624,   1.393)  (  2.468,   0.624,   1.393)  ( 0.02,  0.00,  0.04)
175:     strbnd  (  0.024,   1.326,   0.945)  (  0.024,   1.326,   0.945)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.177,  -0.003,  -0.400)  (  0.177,  -0.003,  -0.399)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.636,   0.622,  -2.274)  ( -2.636,   0.622,  -2.274)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 37       (  0.151,   1.287,   0.431)  (  0.152,   1.288,   0.434)  ( 0.02,  0.05,  0.13)
175:     bond    (  1.073,  -0.388,  -2.975)  (  1.074,  -0.388,  -2.972)  ( 0.04,  0.00,  0.10)
175:     angle   ( -0.794,   2.840,  -0.658)  ( -0.793,   2.841,  -0.658)  ( 0.04,  0.02,  0.00)
175:     strbnd  ( -0.284,   0.981,   1.653)  ( -0.284,   0.981,   1.653)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.057,  -0.640,  -0.298)  ( -1.057,  -0.640,  -0.298)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.212,  -1.506,   2.709)  (  1.212,  -1.506,   2.709)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 38       (  0.339,   0.476,   1.257)  (  0.340,   0.479,   1.258)  ( 0.03,  0.15,  0.04)
175:     bond    ( -0.805,   4.071,   0.318)  ( -0.805,   4.074,   0.318)  ( 0.01,  0.08,  0.00)
175:     angle   (  5.353,   1.181,  -1.582)  (  5.354,   1.181,  -1.581)  ( 0.01,  0.00,  0.03)
175:     strbnd  (  0.930,  -1.391,  -0.658)  (  0.930,  -1.391,  -0.658)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.899,  -0.571,   2.506)  ( -1.899,  -0.571,   2.506)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.240,  -2.814,   0.673)  ( -3.240,  -2.814,   0.673)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 39       (  0.197,   1.934,  -0.224)  (  0.197,   1.941,  -0.201)  ( 0.01,  0.38,  0.52)
175:     bond    ( -0.322,   6.022,  -1.065)  ( -0.322,   6.026,  -1.065)  ( 0.00,  0.06,  0.01)
175:     angle   ( -3.546,  -0.243,  -0.303)  ( -3.546,  -0.243,  -0.303)  ( 0.02,  0.00,  0.00)
175:     strbnd  (  0.529,  -2.091,   0.417)  (  0.529,  -2.091,   0.417)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.017,   0.060,   0.336)  (  0.017,   0.060,   0.337)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.010,  -0.029,  -0.170)  (  0.009,  -0.026,  -0.147)  ( 0.00,  0.01,  0.39)
175:     vdw     (  2.635,  -1.088,   0.220)  (  2.635,  -1.088,   0.220)  ( 0.00,  0.00,  0.00)
175:     electro (  0.875,  -0.697,   0.340)  (  0.875,  -0.697,   0.340)  ( 0.00,  0.00,  0.00)
175: 40       (  0.840,  -0.019,  -0.312)  (  0.841,  -0.018,  -0.309)  ( 0.11,  0.00,  0.07)
175:     bond    ( -1.264,   0.699,  -1.919)  ( -1.263,   0.699,  -1.917)  ( 0.07,  0.02,  0.11)
175:     angle   (  0.476,   0.291,  -0.208)  (  0.477,   0.292,  -0.208)  ( 0.02,  0.02,  0.00)
175:     strbnd  (  0.323,   0.150,   1.507)  (  0.323,   0.150,   1.507)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.949,   0.716,  -0.364)  (  0.949,   0.716,  -0.364)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.355,  -1.875,   0.672)  (  0.355,  -1.875,   0.672)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 41       (  0.302,   0.253,  -0.644)  (  0.303,   0.254,  -0.641)  ( 0.04,  0.02,  0.15)
175:     bond    ( -1.052,   0.652,   1.694)  ( -1.051,   0.653,   1.696)  ( 0.08,  0.02,  0.13)
175:     angle   (  1.336,   3.153,  -0.385)  (  1.337,   3.153,  -0.384)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.202,   0.175,  -1.360)  (  0.202,   0.175,  -1.360)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.348,  -0.299,  -0.101)  ( -0.348,  -0.299,  -0.101)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.164,  -3.428,  -0.491)  (  0.164,  -3.428,  -0.491)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 42       (  0.242,  -0.051,   0.087)  (  0.243,  -0.051,   0.090)  ( 0.02,  0.00,  0.03)
175:     bond    (  0.344,   0.091,  -1.789)  (  0.344,   0.091,  -1.786)  ( 0.00,  0.00,  0.18)
175:     angle   ( -2.274,   1.718,  -0.351)  ( -2.274,   1.718,  -0.351)  ( 0.02,  0.03,  0.00)
175:     strbnd  (  0.055,   0.966,   0.467)  (  0.055,   0.966,   0.467)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.347,   0.529,   0.094)  (  0.347,   0.529,   0.094)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.770,  -3.355,   1.666)  (  1.770,  -3.355,   1.666)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 43       (  0.647,   0.422,  -0.099)  (  0.648,   0.424,  -0.099)  ( 0.07,  0.12,  0.01)
175:     bond    ( -0.598,   1.361,   0.419)  ( -0.597,   1.363,   0.420)  ( 0.03,  0.19,  0.01)
175:     angle   (  0.254,   1.061,  -3.086)  (  0.255,   1.061,  -3.085)  ( 0.01,  0.01,  0.02)
175:     strbnd  (  0.585,   0.274,  -0.771)  (  0.585,   0.274,  -0.771)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.431,  -0.894,   2.291)  ( -0.431,  -0.894,   2.291)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.837,  -1.379,   1.046)  (  0.837,  -1.379,   1.046)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 44       ( -0.948,   0.980,   0.797)  ( -0.947,   0.982,   0.799)  ( 0.08,  0.11,  0.21)
175:     bond    ( -0.079,  -0.094,  -0.209)  ( -0.078,  -0.094,  -0.207)  ( 0.00,  0.00,  0.05)
175:     angle   ( -1.561,   3.754,  -1.115)  ( -1.561,   3.755,  -1.115)  ( 0.03,  0.01,  0.01)
175:     strbnd  ( -1.025,   0.299,   0.384)  ( -1.025,   0.299,   0.384)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.309,  -1.025,   0.349)  (  0.309,  -1.025,   0.349)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.408,  -1.954,   1.389)  (  1.408,  -1.954,   1.389)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 45       (  0.684,   0.907,   1.369)  (  0.687,   0.908,   1.370)  ( 0.16,  0.08,  0.09)
175:     bond    ( -1.901,   0.820,   1.194)  ( -1.899,   0.820,   1.195)  ( 0.11,  0.03,  0.07)
175:     angle   ( -0.217,  -0.147,  -0.244)  ( -0.216,  -0.146,  -0.243)  ( 0.00,  0.01,  0.01)
175:     strbnd  ( -0.303,  -0.559,  -1.117)  ( -0.303,  -0.559,  -1.117)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.043,   1.144,   0.873)  (  1.043,   1.144,   0.873)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.062,  -0.352,   0.663)  (  2.062,  -0.352,   0.663)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 46       (  0.367,  -0.348,   0.007)  (  0.368,  -0.346,   0.010)  ( 0.03,  0.04,  0.00)
175:     bond    ( -0.743,   1.942,   5.648)  ( -0.743,   1.943,   5.651)  ( 0.01,  0.02,  0.05)
175:     angle   ( -0.834,   2.429,  -0.945)  ( -0.833,   2.430,  -0.945)  ( 0.05,  0.03,  0.01)
175:     strbnd  ( -0.401,  -0.284,  -2.968)  ( -0.401,  -0.284,  -2.968)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.439,  -1.217,   0.361)  ( -0.439,  -1.217,   0.361)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.784,  -3.218,  -2.089)  (  2.784,  -3.218,  -2.089)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 47       (  0.015,  -0.265,   0.203)  (  0.016,  -0.264,   0.204)  ( 0.00,  0.04,  0.03)
175:     bond    (  0.405,  -0.387,  -0.424)  (  0.406,  -0.386,  -0.423)  ( 0.05,  0.04,  0.05)
175:     angle   ( -2.172,  -2.780,   0.450)  ( -2.171,  -2.779,   0.451)  ( 0.02,  0.01,  0.02)
175:     strbnd  ( -0.734,   0.044,   1.793)  ( -0.734,   0.044,   1.793)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.276,  -0.075,  -0.196)  ( -0.276,  -0.075,  -0.196)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.791,   2.933,  -1.421)  (  2.791,   2.933,  -1.421)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 48       ( -0.723,  -0.153,  -2.370)  ( -0.721,  -0.151,  -2.369)  ( 0.12,  0.03,  0.05)
175:     bond    ( -0.977,   1.037,   0.786)  ( -0.976,   1.038,   0.787)  ( 0.12,  0.13,  0.06)
175:     angle   ( -0.242,   0.074,  -0.397)  ( -0.241,   0.074,  -0.397)  ( 0.01,  0.00,  0.01)
175:     strbnd  (  0.015,  -0.149,  -2.101)  (  0.015,  -0.149,  -2.101)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.303,   0.391,  -0.890)  ( -0.303,   0.391,  -0.890)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.783,  -1.505,   0.233)  (  0.783,  -1.505,   0.233)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 49       (  0.608,  -1.419,  -1.523)  (  0.609,  -1.418,  -1.520)  ( 0.04,  0.06,  0.21)
175:     bond    ( -0.234,   0.800,  -3.501)  ( -0.234,   0.800,  -3.498)  ( 0.00,  0.01,  0.09)
175:     angle   ( -0.364,  -2.283,  -0.498)  ( -0.363,  -2.283,  -0.498)  ( 0.02,  0.02,  0.00)
175:     strbnd  ( -1.308,   0.802,   1.925)  ( -1.308,   0.802,   1.925)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.209,  -1.267,  -0.371)  (  1.209,  -1.267,  -0.371)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.305,   0.529,   0.922)  (  1.305,   0.529,   0.922)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 50       ( -1.926,  -0.688,  -1.325)  ( -1.925,  -0.687,  -1.323)  ( 0.05,  0.11,  0.15)
175:     bond    (  1.132,  -1.684,  -2.127)  (  1.132,  -1.683,  -2.125)  ( 0.04,  0.07,  0.08)
175:     angle   ( -0.386,   0.713,  -0.771)  ( -0.386,   0.714,  -0.771)  ( 0.02,  0.03,  0.02)
175:     strbnd  ( -0.234,  -0.477,   1.916)  ( -0.234,  -0.478,   1.916)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.839,   0.814,  -1.092)  ( -0.839,   0.814,  -1.092)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.600,  -0.054,   0.749)  ( -1.600,  -0.054,   0.749)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 51       (  0.141,  -0.997,  -1.237)  (  0.142,  -0.996,  -1.234)  ( 0.01,  0.10,  0.23)
175:     bond    ( -0.459,   0.602,  -1.366)  ( -0.459,   0.603,  -1.364)  ( 0.01,  0.03,  0.19)
175:     angle   ( -4.840,  -2.593,   0.483)  ( -4.839,  -2.592,   0.483)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -0.066,  -0.914,  -1.669)  ( -0.066,  -0.914,  -1.669)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.609,  -0.569,  -0.456)  (  0.609,  -0.569,  -0.456)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.897,   2.477,   1.772)  (  4.897,   2.477,   1.772)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 52       ( -2.339,   0.741,   1.932)  ( -2.338,   0.742,   1.935)  ( 0.04,  0.05,  0.15)
175:     bond    ( -0.579,   0.431,  -1.609)  ( -0.579,   0.431,  -1.606)  ( 0.02,  0.01,  0.17)
175:     angle   ( -0.609,   2.084,   0.779)  ( -0.609,   2.085,   0.779)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.098,   0.859,   1.399)  (  0.098,   0.859,   1.399)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.384,  -0.338,   0.048)  ( -0.384,  -0.338,   0.048)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.864,  -2.295,   1.315)  ( -0.864,  -2.295,   1.315)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 53       (  0.056,  -1.491,   2.539)  (  0.057,  -1.489,   2.541)  ( 0.01,  0.13,  0.06)
175:     bond    ( -1.594,   2.825,   2.595)  ( -1.593,   2.827,   2.597)  ( 0.03,  0.05,  0.05)
175:     angle   ( -1.514,  -2.295,   1.569)  ( -1.514,  -2.295,   1.569)  ( 0.03,  0.01,  0.02)
175:     strbnd  (  0.494,  -0.602,  -2.308)  (  0.494,  -0.602,  -2.308)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.240,  -0.042,   0.806)  (  1.240,  -0.042,   0.806)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.431,  -1.377,  -0.123)  (  1.431,  -1.377,  -0.123)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 54       ( -1.751,  -1.353,   0.152)  ( -1.750,  -1.352,   0.155)  ( 0.04,  0.06,  0.05)
175:     bond    ( -0.353,   0.090,   4.018)  ( -0.353,   0.090,   4.021)  ( 0.00,  0.00,  0.08)
175:     angle   ( -0.173,  -0.584,  -0.002)  ( -0.173,  -0.583,  -0.002)  ( 0.01,  0.04,  0.00)
175:     strbnd  (  0.100,  -0.938,  -1.958)  (  0.100,  -0.938,  -1.958)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.477,  -0.328,  -0.122)  ( -1.476,  -0.328,  -0.122)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.153,   0.407,  -1.784)  (  0.153,   0.407,  -1.784)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 55       ( -0.691,  -0.566,  -0.526)  ( -0.688,  -0.566,  -0.525)  ( 0.22,  0.04,  0.04)
175:     bond    ( -0.658,  -0.057,  -0.193)  ( -0.655,  -0.057,  -0.193)  ( 0.21,  0.00,  0.01)
175:     angle   (  0.205,  -4.548,   0.655)  (  0.205,  -4.547,   0.655)  ( 0.00,  0.01,  0.03)
175:     strbnd  ( -0.169,  -0.573,  -0.356)  ( -0.169,  -0.573,  -0.356)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.064,   0.110,  -0.250)  (  0.064,   0.110,  -0.250)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.132,   4.501,  -0.381)  ( -0.132,   4.502,  -0.381)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 56       ( -1.939,  -2.205,   0.809)  ( -1.938,  -2.204,   0.812)  ( 0.03,  0.03,  0.27)
175:     bond    ( -0.033,  -0.223,  -1.036)  ( -0.033,  -0.223,  -1.033)  ( 0.00,  0.00,  0.31)
175:     angle   (  0.267,  -3.200,   0.682)  (  0.267,  -3.200,   0.682)  ( 0.01,  0.02,  0.00)
175:     strbnd  (  0.445,  -0.392,   0.323)  (  0.445,  -0.392,   0.323)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.267,  -0.189,   0.049)  ( -0.267,  -0.189,   0.049)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.350,   1.799,   0.791)  ( -2.350,   1.799,   0.791)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 57       ( -0.222,  -0.711,   1.702)  ( -0.221,  -0.708,   1.703)  ( 0.02,  0.16,  0.07)
175:     bond    ( -1.423,  -3.015,   1.849)  ( -1.423,  -3.013,   1.849)  ( 0.03,  0.07,  0.04)
175:     angle   (  1.191,  -0.586,  -0.038)  (  1.192,  -0.586,  -0.038)  ( 0.04,  0.01,  0.00)
175:     strbnd  (  0.927,   0.636,  -0.840)  (  0.927,   0.636,  -0.840)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.670,   0.208,   0.854)  (  0.670,   0.208,   0.854)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.587,   2.046,  -0.123)  ( -1.587,   2.046,  -0.123)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 58       ( -1.065,  -1.279,  -1.213)  ( -1.063,  -1.277,  -1.212)  ( 0.14,  0.19,  0.05)
175:     bond    ( -0.341,   0.461,   0.108)  ( -0.340,   0.463,   0.108)  ( 0.04,  0.10,  0.00)
175:     angle   ( -2.386,  -1.529,  -0.965)  ( -2.386,  -1.529,  -0.964)  ( 0.01,  0.01,  0.04)
175:     strbnd  ( -0.455,  -0.647,  -0.480)  ( -0.455,  -0.647,  -0.480)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.014,   0.020,  -0.041)  (  0.014,   0.020,  -0.041)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.104,   0.416,   0.164)  (  2.104,   0.416,   0.164)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 59       ( -1.070,  -1.140,  -0.343)  ( -1.069,  -1.138,  -0.342)  ( 0.10,  0.20,  0.03)
175:     bond    ( -1.369,  -2.487,   1.248)  ( -1.368,  -2.484,   1.248)  ( 0.05,  0.09,  0.04)
175:     angle   ( -1.624,   0.072,  -1.636)  ( -1.623,   0.072,  -1.636)  ( 0.03,  0.00,  0.03)
175:     strbnd  ( -0.372,   0.804,  -0.765)  ( -0.372,   0.804,  -0.765)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.290,   0.448,   0.574)  ( -0.290,   0.448,   0.574)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.584,   0.022,   0.237)  (  2.584,   0.022,   0.237)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 60       ( -0.358,  -1.910,  -0.423)  ( -0.357,  -1.909,  -0.420)  ( 0.02,  0.03,  0.14)
175:     bond    (  0.061,  -0.358,  -2.470)  (  0.061,  -0.358,  -2.467)  ( 0.00,  0.00,  0.13)
175:     angle   ( -2.334,  -1.222,   0.119)  ( -2.334,  -1.222,   0.119)  ( 0.02,  0.04,  0.00)
175:     strbnd  ( -0.879,   0.068,   0.565)  ( -0.879,   0.068,   0.565)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.016,  -0.218,   0.032)  (  0.016,  -0.218,   0.032)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.778,  -0.179,   1.331)  (  2.778,  -0.179,   1.331)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 61       ( -1.170,  -0.189,   0.037)  ( -1.168,  -0.188,   0.038)  ( 0.25,  0.01,  0.00)
175:     bond    ( -0.428,  -0.103,  -0.175)  ( -0.426,  -0.103,  -0.175)  ( 0.12,  0.00,  0.01)
175:     angle   ( -0.331,  -3.245,   2.709)  ( -0.331,  -3.244,   2.710)  ( 0.00,  0.01,  0.02)
175:     strbnd  ( -0.890,  -0.655,   0.505)  ( -0.890,  -0.655,   0.505)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.146,   0.349,   0.151)  ( -0.146,   0.349,   0.152)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.626,   3.464,  -3.153)  (  0.626,   3.464,  -3.153)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 62       ( -1.757,   0.318,   0.260)  ( -1.756,   0.322,   0.261)  ( 0.03,  0.11,  0.02)
175:     bond    (  0.021,   0.242,  -0.008)  (  0.021,   0.246,  -0.008)  ( 0.00,  0.08,  0.00)
175:     angle   (  2.576,  -0.098,   3.676)  (  2.576,  -0.098,   3.677)  ( 0.02,  0.00,  0.01)
175:     strbnd  (  0.261,   0.641,   0.904)  (  0.261,   0.642,   0.904)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.156,  -0.106,  -0.183)  (  1.156,  -0.106,  -0.183)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.770,  -0.362,  -4.129)  ( -5.770,  -0.362,  -4.129)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 63       ( -1.163,   0.855,  -0.571)  ( -1.161,   0.856,  -0.570)  ( 0.16,  0.08,  0.09)
175:     bond    ( -1.786,   1.024,   1.583)  ( -1.785,   1.024,   1.584)  ( 0.09,  0.05,  0.08)
175:     angle   (  0.428,  -0.094,   0.542)  (  0.428,  -0.094,   0.543)  ( 0.01,  0.00,  0.02)
175:     strbnd  (  0.673,  -0.673,   0.446)  (  0.673,  -0.673,   0.446)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.227,  -0.276,  -0.077)  ( -0.227,  -0.276,  -0.077)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.250,   0.874,  -3.065)  ( -0.250,   0.874,  -3.065)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 64       (  0.790,  -0.989,   0.790)  (  0.793,  -0.989,   0.791)  ( 0.25,  0.06,  0.06)
175:     bond    (  0.666,   0.107,  -0.162)  (  0.670,   0.108,  -0.162)  ( 0.21,  0.00,  0.00)
175:     angle   ( -0.821,  -2.989,  -5.388)  ( -0.821,  -2.989,  -5.387)  ( 0.00,  0.02,  0.01)
175:     strbnd  ( -1.303,  -0.763,  -0.758)  ( -1.303,  -0.763,  -0.758)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.159,  -0.563,   0.283)  (  0.159,  -0.563,   0.283)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.089,   3.218,   6.815)  (  2.089,   3.218,   6.815)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 65       (  1.612,   1.583,  -0.244)  (  1.613,   1.584,  -0.242)  ( 0.09,  0.07,  0.05)
175:     bond    ( -0.305,   0.226,  -0.426)  ( -0.304,   0.227,  -0.424)  ( 0.03,  0.01,  0.08)
175:     angle   (  3.626,  -2.262,  -3.808)  (  3.626,  -2.262,  -3.808)  ( 0.01,  0.02,  0.01)
175:     strbnd  (  0.994,  -1.017,  -0.192)  (  0.994,  -1.017,  -0.192)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.256,   0.264,  -0.043)  (  0.256,   0.264,  -0.043)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.959,   4.372,   4.225)  ( -2.958,   4.372,   4.225)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 66       ( -1.078,   0.552,  -0.760)  ( -1.078,   0.556,  -0.759)  ( 0.06,  0.19,  0.05)
175:     bond    (  0.016,   0.113,   0.003)  (  0.016,   0.116,   0.003)  ( 0.00,  0.04,  0.00)
175:     angle   (  2.563,  -0.264,  -3.412)  (  2.563,  -0.264,  -3.411)  ( 0.02,  0.00,  0.02)
175:     strbnd  (  0.510,   0.950,  -1.109)  (  0.510,   0.950,  -1.109)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.450,   0.067,  -0.151)  ( -0.450,   0.067,  -0.151)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.718,  -0.314,   3.909)  ( -3.717,  -0.314,   3.909)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 67       (  0.335,   0.250,   0.082)  (  0.336,   0.253,   0.082)  ( 0.02,  0.08,  0.00)
175:     bond    (  0.214,  -2.095,   0.090)  (  0.214,  -2.092,   0.090)  ( 0.00,  0.16,  0.00)
175:     angle   (  1.574,   0.246,   1.978)  (  1.575,   0.246,   1.979)  ( 0.04,  0.00,  0.03)
175:     strbnd  ( -0.777,   1.004,   0.844)  ( -0.777,   1.004,   0.844)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.181,  -0.026,  -1.050)  (  0.181,  -0.026,  -1.050)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.857,   1.121,  -1.781)  ( -0.857,   1.121,  -1.781)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.113,  -0.440,   0.129)  ( -0.113,  -0.440,   0.129)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.004,  -0.017,   0.005)  ( -0.003,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
176:     vdw     (  5.058,  -1.595,  -0.879)  (  5.058,  -1.595,  -0.879)  ( 0.00,  0.00,  0.00)
176:     electro (  0.961,  -0.585,  -2.896)  (  0.961,  -0.585,  -2.896)  ( 0.00,  0.00,  0.00)
176:  7       (  0.004,  -0.006,  -0.007)  (  0.009,   0.011,  -0.010)  ( 0.00,  0.01,  0.00)
176:     bond    ( -1.576,  -0.689,  -3.698)  ( -1.575,  -0.689,  -3.696)  ( 0.02,  0.00,  0.06)
176:     angle   ( -1.762,   0.781,   0.606)  ( -1.762,   0.781,   0.606)  ( 0.02,  0.00,  0.00)
176:     strbnd  (  3.973,   2.058,  10.392)  (  3.974,   2.058,  10.392)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.002,   0.010,  -0.003)  (  0.002,   0.010,  -0.003)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.021,  -0.079,   0.024)  ( -0.017,  -0.062,   0.019)  ( 0.01,  0.13,  0.01)
176:     vdw     ( -0.489,  -2.014,  -7.035)  ( -0.489,  -2.014,  -7.035)  ( 0.01,  0.00,  0.00)
176:     electro ( -0.123,  -0.073,  -0.293)  ( -0.123,  -0.073,  -0.293)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.014,   0.006,   0.005)  ( -0.006,   0.023,   0.000)  ( 0.01,  0.01,  0.00)
176:     bond    ( -3.952,   0.990,  -0.369)  ( -3.949,   0.990,  -0.369)  ( 0.06,  0.01,  0.00)
176:     angle   (  0.055,  -0.510,  -1.957)  (  0.055,  -0.510,  -1.957)  ( 0.00,  0.00,  0.02)
176:     strbnd  ( 10.930,  -2.876,   0.597)  ( 10.930,  -2.875,   0.597)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.004,   0.013,  -0.005)  (  0.004,   0.013,  -0.005)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.022,  -0.078,   0.025)  ( -0.017,  -0.061,   0.019)  ( 0.01,  0.13,  0.01)
176:     vdw     ( -6.710,   2.400,   1.731)  ( -6.710,   2.400,   1.731)  ( 0.00,  0.00,  0.01)
176:     electro ( -0.319,   0.065,  -0.017)  ( -0.319,   0.065,  -0.017)  ( 0.00,  0.00,  0.00)
176:  9       (  0.001,  -0.005,  -0.013)  (  0.003,   0.000,  -0.012)  ( 0.00,  0.00,  0.00)
176:     bond    ( -4.048,   5.770,  13.996)  ( -4.048,   5.770,  13.999)  ( 0.00,  0.01,  0.02)
176:     angle   ( -1.241,   0.257,  -0.465)  ( -1.241,   0.257,  -0.465)  ( 0.03,  0.00,  0.00)
176:     strbnd  (  6.786,  -8.639, -20.325)  (  6.786,  -8.639, -20.325)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.124,  -0.435,   0.144)  ( -0.124,  -0.435,   0.144)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.005,  -0.018,   0.006)  ( -0.004,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
176:     vdw     (  0.799,   1.425,   5.120)  (  0.799,   1.425,   5.120)  ( 0.01,  0.00,  0.00)
176:     electro ( -2.167,   1.634,   1.511)  ( -2.167,   1.634,   1.511)  ( 0.00,  0.00,  0.00)
176: 10       ( -0.041,  -0.122,   0.031)  ( -0.038,  -0.116,   0.034)  ( 0.01,  0.07,  0.01)
176:     bond    ( -3.216, -14.697,   5.117)  ( -3.214, -14.692,   5.118)  ( 0.06,  0.04,  0.02)
176:     angle   ( -7.773,   6.823,  -8.945)  ( -7.771,   6.824,  -8.944)  ( 0.02,  0.01,  0.01)
176:     strbnd  (  6.282,   1.107,   3.899)  (  6.282,   1.107,   3.898)  ( 0.01,  0.00,  0.01)
176:     torsion (  0.055,  -0.068,   0.073)  (  0.055,  -0.068,   0.073)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.002,  -0.001,  -0.002)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.079,   0.861,   1.042)  (  2.079,   0.861,   1.042)  ( 0.00,  0.00,  0.00)
176:     electro (  2.530,   5.853,  -1.152)  (  2.530,   5.853,  -1.152)  ( 0.00,  0.00,  0.00)
176: 11       ( -0.148,   0.096,  -0.138)  ( -0.138,   0.102,  -0.133)  ( 0.15,  0.06,  0.07)
176:     bond    ( -2.324,  11.771,  -7.579)  ( -2.317,  11.777,  -7.575)  ( 0.31,  0.05,  0.07)
176:     angle   ( -3.241,  -6.144,   0.794)  ( -3.239,  -6.142,   0.795)  ( 0.06,  0.04,  0.10)
176:     strbnd  (  3.432,   4.890,  -0.026)  (  3.432,   4.889,  -0.026)  ( 0.02,  0.02,  0.00)
176:     torsion ( -0.002,   0.001,   0.002)  ( -0.002,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.006,   0.004,   0.007)  ( -0.005,   0.003,   0.007)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.330,  -2.187,   2.045)  (  1.330,  -2.187,   2.045)  ( 0.00,  0.01,  0.00)
176:     electro (  0.662,  -8.239,   4.619)  (  0.662,  -8.239,   4.619)  ( 0.00,  0.00,  0.00)
176: 12       (  0.104,  -0.045,   0.088)  (  0.109,  -0.043,   0.092)  ( 0.05,  0.01,  0.04)
176:     bond    (  2.062,  -0.697,   1.813)  (  2.066,  -0.696,   1.817)  ( 0.24,  0.04,  0.21)
176:     angle   (  4.094,   8.524,  -1.388)  (  4.094,   8.525,  -1.388)  ( 0.00,  0.01,  0.00)
176:     strbnd  ( -2.194,   1.376,  -2.250)  ( -2.194,   1.376,  -2.250)  ( 0.00,  0.01,  0.00)
176:     torsion (  0.001,  -0.001,  -0.001)  (  0.001,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.002,  -0.002,  -0.003)  (  0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.811,   4.186,  -5.523)  ( -4.811,   4.186,  -5.523)  ( 0.00,  0.01,  0.00)
176:     electro (  0.951, -13.432,   7.439)  (  0.951, -13.432,   7.439)  ( 0.00,  0.00,  0.00)
176: 13       (  0.019,  -0.062,   0.035)  (  0.022,  -0.057,   0.038)  ( 0.01,  0.03,  0.01)
176:     bond    ( -0.415,   6.996,  -3.819)  ( -0.413,   7.000,  -3.818)  ( 0.10,  0.06,  0.03)
176:     angle   (  8.099,   0.357,   5.569)  (  8.100,   0.358,   5.570)  ( 0.01,  0.02,  0.02)
176:     strbnd  ( -1.445,  -0.164,  -0.943)  ( -1.445,  -0.164,  -0.943)  ( 0.01,  0.00,  0.00)
176:     torsion (  0.096,   0.027,   0.051)  (  0.096,   0.027,   0.051)  ( 0.00,  0.00,  0.00)
176:     oop     (  0.002,  -0.001,  -0.003)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -1.982,  -2.198,  -0.300)  ( -1.982,  -2.198,  -0.300)  ( 0.00,  0.00,  0.00)
176:     electro ( -4.335,  -5.079,  -0.519)  ( -4.335,  -5.079,  -0.519)  ( 0.00,  0.00,  0.00)
176: 14       (  0.006,   0.040,  -0.035)  (  0.012,   0.045,  -0.029)  ( 0.00,  0.02,  0.02)
176:     bond    (  2.536,  -3.983,   3.794)  (  2.540,  -3.979,   3.799)  ( 0.17,  0.11,  0.12)
176:     angle   ( -4.065,   3.789,  -4.804)  ( -4.063,   3.791,  -4.803)  ( 0.05,  0.05,  0.04)
176:     strbnd  ( -0.833,   0.598,  -0.890)  ( -0.834,   0.596,  -0.891)  ( 0.05,  0.09,  0.05)
176:     torsion ( -0.191,  -0.892,   0.315)  ( -0.191,  -0.892,   0.315)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  6.216,   6.029,   1.376)  (  6.216,   6.029,   1.376)  ( 0.00,  0.00,  0.00)
176:     electro ( -3.657,  -5.500,   0.174)  ( -3.657,  -5.500,   0.174)  ( 0.00,  0.00,  0.00)
176: 15       ( -0.047,  -0.022,   0.038)  ( -0.042,  -0.016,   0.044)  ( 0.03,  0.01,  0.02)
176:     bond    ( -2.867,  -2.743,  -0.596)  ( -2.863,  -2.738,  -0.591)  ( 0.15,  0.16,  0.26)
176:     angle   (  3.517,  -2.080,   3.550)  (  3.519,  -2.078,   3.552)  ( 0.05,  0.09,  0.05)
176:     strbnd  (  0.684,   0.667,   0.147)  (  0.683,   0.666,   0.146)  ( 0.06,  0.04,  0.01)
176:     torsion ( -1.441,   4.053,  -3.064)  ( -1.441,   4.053,  -3.064)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.060,   0.081,   0.002)  (  0.060,   0.081,   0.002)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 16       ( -0.011,  -0.078,   0.040)  ( -0.010,  -0.073,   0.042)  ( 0.00,  0.05,  0.01)
176:     bond    ( -0.642,   8.502,  -4.741)  ( -0.642,   8.508,  -4.739)  ( 0.00,  0.07,  0.04)
176:     angle   ( -2.615,  -0.955,  -1.361)  ( -2.614,  -0.955,  -1.360)  ( 0.03,  0.02,  0.04)
176:     strbnd  (  0.050,  -9.018,   4.574)  (  0.050,  -9.018,   4.574)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.486,  -1.486,   1.804)  (  1.486,  -1.486,   1.804)  ( 0.00,  0.00,  0.00)
176:     electro (  1.710,   2.879,  -0.236)  (  1.710,   2.879,  -0.236)  ( 0.00,  0.00,  0.00)
176: 17       ( -0.005,   0.002,  -0.011)  ( -0.004,   0.003,  -0.007)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.079,   0.242,   1.908)  ( -0.079,   0.242,   1.911)  ( 0.00,  0.00,  0.17)
176:     angle   ( -1.927,  -2.302,   0.212)  ( -1.927,  -2.301,   0.212)  ( 0.03,  0.03,  0.00)
176:     strbnd  (  0.174,  -0.470,   0.195)  (  0.174,  -0.470,   0.195)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.269,  -0.028,   0.015)  (  0.269,  -0.028,   0.015)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.559,   2.559,  -2.340)  (  1.559,   2.559,  -2.340)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 18       ( -0.013,   0.008,  -0.002)  ( -0.010,   0.010,  -0.001)  ( 0.00,  0.00,  0.00)
176:     bond    (  1.600,  -0.952,  -0.465)  (  1.603,  -0.952,  -0.465)  ( 0.15,  0.08,  0.01)
176:     angle   ( -1.585,  -2.541,  -0.266)  ( -1.585,  -2.540,  -0.265)  ( 0.01,  0.02,  0.01)
176:     strbnd  (  0.041,  -0.375,   0.383)  (  0.041,  -0.375,   0.383)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.115,   0.081,   0.231)  (  0.115,   0.081,   0.231)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.184,   3.795,   0.115)  ( -0.184,   3.795,   0.115)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 19       ( -0.003,   0.007,  -0.003)  ( -0.003,   0.010,  -0.002)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.011,  -0.341,   0.161)  ( -0.011,  -0.338,   0.162)  ( 0.00,  0.09,  0.01)
176:     angle   ( -0.425,  -0.104,  -0.247)  ( -0.425,  -0.104,  -0.246)  ( 0.02,  0.00,  0.01)
176:     strbnd  ( -0.183,  -0.109,  -0.074)  ( -0.183,  -0.109,  -0.074)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.617,   0.560,   0.156)  (  0.617,   0.560,   0.156)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 20       (  0.031,  -0.017,  -0.014)  (  0.033,  -0.015,  -0.014)  ( 0.01,  0.00,  0.00)
176:     bond    ( -1.142,   0.665,   0.296)  ( -1.140,   0.665,   0.296)  ( 0.21,  0.05,  0.00)
176:     angle   ( -0.598,   0.006,  -2.313)  ( -0.598,   0.007,  -2.313)  ( 0.01,  0.00,  0.02)
176:     strbnd  (  0.341,  -0.436,  -0.190)  (  0.341,  -0.436,  -0.190)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.100,  -1.141,   2.178)  ( -0.100,  -1.141,   2.178)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.529,   0.890,   0.014)  (  1.529,   0.890,   0.014)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 21       (  0.003,   0.010,  -0.024)  (  0.003,   0.010,  -0.020)  ( 0.00,  0.00,  0.01)
176:     bond    (  0.025,  -0.167,  -1.404)  (  0.025,  -0.167,  -1.400)  ( 0.00,  0.00,  0.24)
176:     angle   ( -2.115,   1.092,  -0.168)  ( -2.114,   1.093,  -0.168)  ( 0.03,  0.04,  0.00)
176:     strbnd  ( -0.186,  -0.062,   0.552)  ( -0.186,  -0.062,   0.552)  ( 0.00,  0.00,  0.00)
176:     torsion (  1.253,  -2.101,   0.273)  (  1.253,  -2.101,   0.273)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.026,   1.247,   0.724)  (  1.026,   1.247,   0.724)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: ok 8 # gradients 
176: ok 9 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : semdix.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
176:  1       ( -0.039,  -0.073,   0.047)  ( -0.036,  -0.064,   0.051)  ( 0.01,  0.06,  0.02)
176:     bond    ( -7.512,   1.783,  -2.223)  ( -7.509,   1.791,  -2.220)  ( 0.04,  0.44,  0.14)
176:     angle   (  9.520,   8.593,   6.171)  (  9.521,   8.594,   6.173)  ( 0.01,  0.01,  0.03)
176:     strbnd  (-12.566,   3.932,  -2.829)  (-12.567,   3.932,  -2.830)  ( 0.00,  0.01,  0.02)
176:     torsion (  0.272,   0.999,  -0.774)  (  0.272,   0.999,  -0.774)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  8.163, -13.337,  -0.869)  (  8.163, -13.337,  -0.869)  ( 0.00,  0.00,  0.00)
176:     electro (  2.084,  -2.043,   0.571)  (  2.084,  -2.043,   0.571)  ( 0.00,  0.00,  0.00)
176:  2       ( -0.001,  -0.011,   0.004)  (  0.000,  -0.009,   0.007)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.455,   0.358,  -0.667)  (  0.457,   0.359,  -0.665)  ( 0.05,  0.03,  0.16)
176:     angle   (  4.611,  -3.755,   1.139)  (  4.612,  -3.754,   1.139)  ( 0.01,  0.02,  0.02)
176:     strbnd  ( -0.238,   1.721,   0.675)  ( -0.238,   1.720,   0.675)  ( 0.00,  0.00,  0.01)
176:     torsion (  0.420,  -0.286,   0.134)  (  0.420,  -0.286,   0.134)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  3.879,  -9.651,   0.860)  (  3.879,  -9.651,   0.860)  ( 0.00,  0.00,  0.00)
176:     electro ( -9.129,  11.602,  -2.137)  ( -9.129,  11.602,  -2.137)  ( 0.00,  0.00,  0.00)
176:  3       (  0.003,  -0.013,   0.006)  (  0.004,  -0.007,   0.006)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.045,  -0.386,  -0.051)  (  0.045,  -0.380,  -0.051)  ( 0.00,  0.23,  0.00)
176:     angle   ( -3.619,  -0.541,   0.864)  ( -3.619,  -0.541,   0.864)  ( 0.02,  0.00,  0.03)
176:     strbnd  ( -0.660,   0.252,  -0.120)  ( -0.660,   0.252,  -0.120)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.212,  -0.151,   0.948)  ( -0.212,  -0.151,   0.948)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.344,  -0.504,   0.445)  (  1.344,  -0.504,   0.445)  ( 0.00,  0.00,  0.00)
176:     electro (  3.105,   1.317,  -2.081)  (  3.105,   1.317,  -2.081)  ( 0.00,  0.00,  0.00)
176:  4       (  0.044,   0.056,  -0.067)  (  0.045,   0.058,  -0.063)  ( 0.01,  0.01,  0.02)
176:     bond    ( -0.400,  -0.524,   0.650)  ( -0.398,  -0.522,   0.653)  ( 0.04,  0.10,  0.20)
176:     angle   ( -5.854,   2.869,  -1.277)  ( -5.853,   2.870,  -1.277)  ( 0.01,  0.01,  0.01)
176:     strbnd  ( -1.135,  -0.538,   0.610)  ( -1.135,  -0.538,   0.610)  ( 0.01,  0.01,  0.01)
176:     torsion (  0.032,  -0.698,  -0.538)  (  0.032,  -0.698,  -0.538)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( 10.552,  -8.215,   3.363)  ( 10.552,  -8.215,   3.363)  ( 0.00,  0.00,  0.00)
176:     electro ( -3.151,   7.161,  -2.875)  ( -3.151,   7.161,  -2.875)  ( 0.00,  0.00,  0.00)
176:  5       ( -0.016,  -0.032,  -0.036)  ( -0.011,  -0.028,  -0.031)  ( 0.01,  0.02,  0.02)
176:     bond    (  8.665,  -5.869,  -2.407)  (  8.668,  -5.866,  -2.405)  ( 0.03,  0.04,  0.11)
176:     angle   ( 14.891, -11.135,  -0.108)  ( 14.893, -11.133,  -0.105)  ( 0.02,  0.02,  0.03)
176:     strbnd  ( -4.622,   7.292,  -0.077)  ( -4.623,   7.291,  -0.078)  ( 0.02,  0.01,  0.01)
176:     torsion (  0.115,  -0.478,   0.649)  (  0.115,  -0.478,   0.649)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.615,  -0.366,   0.687)  (  0.615,  -0.366,   0.687)  ( 0.00,  0.00,  0.00)
176:     electro (-19.678,  10.524,   1.221)  (-19.678,  10.524,   1.221)  ( 0.00,  0.00,  0.00)
176:  6       ( -0.030,   0.012,   0.002)  ( -0.026,   0.016,   0.008)  ( 0.01,  0.01,  0.00)
176:     bond    ( -5.107,  28.856,  -3.817)  ( -5.104,  28.859,  -3.812)  ( 0.06,  0.01,  0.13)
176:     angle   (-16.294, -14.070,  -0.576)  (-16.291, -14.068,  -0.574)  ( 0.02,  0.02,  0.12)
176:     strbnd  ( 14.404,  -7.085,   3.027)  ( 14.402,  -7.086,   3.026)  ( 0.01,  0.01,  0.02)
176:     torsion (  0.382,  -0.345,   0.073)  (  0.382,  -0.345,   0.073)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  6.585,  -7.344,   1.295)  (  6.585,  -7.344,   1.295)  ( 0.00,  0.00,  0.01)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:  7       ( -0.008,   0.056,   0.024)  ( -0.002,   0.062,   0.028)  ( 0.00,  0.03,  0.01)
176:     bond    (-17.495,  -2.527,  22.456)  (-17.491,  -2.523,  22.459)  ( 0.02,  0.17,  0.01)
176:     angle   (  6.906,   4.793, -20.315)  (  6.908,   4.795, -20.313)  ( 0.03,  0.05,  0.01)
176:     strbnd  ( -0.312,   0.860,  -1.629)  ( -0.313,   0.860,  -1.630)  ( 0.02,  0.06,  0.07)
176:     torsion (  0.078,   0.540,   0.603)  (  0.078,   0.540,   0.603)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.365,   6.410,  -7.993)  (  0.365,   6.411,  -7.993)  ( 0.01,  0.00,  0.00)
176:     electro ( 10.449, -10.021,   6.902)  ( 10.449, -10.021,   6.902)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.016,   0.021,   0.017)  ( -0.011,   0.026,   0.023)  ( 0.01,  0.01,  0.01)
176:     bond    (  5.818,  -7.958,   2.136)  (  5.822,  -7.954,   2.140)  ( 0.08,  0.05,  0.20)
176:     angle   ( -9.508,   5.167,   2.401)  ( -9.507,   5.169,   2.402)  ( 0.02,  0.04,  0.07)
176:     strbnd  ( -1.075,  -2.063,   3.999)  ( -1.075,  -2.064,   3.999)  ( 0.05,  0.04,  0.01)
176:     torsion (  1.216,   0.373,  -0.759)  (  1.216,   0.373,  -0.759)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  3.533,   4.502,  -7.760)  (  3.533,   4.502,  -7.760)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:  9       ( -0.034,   0.039,   0.014)  ( -0.028,   0.044,   0.018)  ( 0.02,  0.02,  0.01)
176:     bond    (-10.691, -17.476, -11.199)  (-10.687, -17.472, -11.195)  ( 0.04,  0.02,  0.03)
176:     angle   (  6.844,  25.523,   4.420)  (  6.847,  25.525,   4.423)  ( 0.03,  0.01,  0.05)
176:     strbnd  ( -0.703,  -2.771,   2.914)  ( -0.704,  -2.772,   2.913)  ( 0.03,  0.03,  0.04)
176:     torsion ( -1.271,   0.298,  -0.007)  ( -1.271,   0.298,  -0.007)  ( 0.01,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.611,   6.133,   7.845)  ( -0.611,   6.133,   7.845)  ( 0.01,  0.00,  0.00)
176:     electro (  6.398, -11.668,  -3.961)  (  6.398, -11.668,  -3.961)  ( 0.00,  0.00,  0.00)
176: 10       ( -0.043,   0.023,  -0.058)  ( -0.037,   0.029,  -0.053)  ( 0.03,  0.01,  0.03)
176:     bond    (  2.273,   4.210,  -7.157)  (  2.278,   4.215,  -7.153)  ( 0.20,  0.11,  0.06)
176:     angle   ( -4.782,  -9.381,   5.110)  ( -4.780,  -9.380,   5.112)  ( 0.04,  0.02,  0.04)
176:     strbnd  ( -0.590,  -1.767,  -5.703)  ( -0.590,  -1.768,  -5.704)  ( 0.03,  0.02,  0.02)
176:     torsion (  0.624,   0.972,   0.410)  (  0.624,   0.972,   0.410)  ( 0.00,  0.01,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.432,   5.989,   7.283)  (  2.432,   5.989,   7.283)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 11       (  0.006,  -0.014,   0.008)  (  0.010,  -0.008,   0.014)  ( 0.00,  0.01,  0.00)
176:     bond    ( 18.679,  -2.807,  -6.521)  ( 18.682,  -2.803,  -6.517)  ( 0.02,  0.16,  0.07)
176:     angle   (-21.205,  14.183,   9.289)  (-21.203,  14.185,   9.291)  ( 0.01,  0.01,  0.02)
176:     strbnd  (  1.878,  -2.321,  -3.338)  (  1.877,  -2.322,  -3.338)  ( 0.08,  0.02,  0.02)
176:     torsion (  0.229,  -0.649,  -0.324)  (  0.229,  -0.649,  -0.324)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -9.496,  -1.546,  -1.456)  ( -9.496,  -1.546,  -1.456)  ( 0.00,  0.01,  0.01)
176:     electro (  9.922,  -6.874,   2.359)  (  9.922,  -6.874,   2.359)  ( 0.00,  0.00,  0.00)
176: 12       ( -0.001,   0.032,   0.005)  (  0.005,   0.038,   0.010)  ( 0.00,  0.02,  0.00)
176:     bond    (  1.992,   4.956,   6.984)  (  1.996,   4.961,   6.989)  ( 0.21,  0.09,  0.06)
176:     angle   (  3.962,  -6.006,  -8.362)  (  3.964,  -6.004,  -8.360)  ( 0.04,  0.03,  0.02)
176:     strbnd  (  4.498,   2.135,   1.871)  (  4.497,   2.135,   1.870)  ( 0.01,  0.03,  0.04)
176:     torsion ( -1.062,   0.377,   0.291)  ( -1.062,   0.377,   0.291)  ( 0.01,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -9.391,  -1.430,  -0.779)  ( -9.391,  -1.430,  -0.779)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 13       (  0.009,   0.002,   0.000)  (  0.010,   0.004,   0.003)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.237,   0.694,   1.067)  (  0.237,   0.695,   1.069)  ( 0.00,  0.07,  0.22)
176:     angle   ( -2.166,   2.271,  -0.996)  ( -2.166,   2.271,  -0.996)  ( 0.03,  0.02,  0.02)
176:     strbnd  ( -0.528,   2.326,  -1.506)  ( -0.528,   2.326,  -1.506)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.333,   0.625,  -0.333)  ( -0.333,   0.625,  -0.333)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.799,  -5.914,   1.768)  (  2.799,  -5.914,   1.768)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 14       (  0.001,  -0.041,  -0.025)  (  0.002,  -0.038,  -0.023)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.121,   0.978,   0.855)  (  0.121,   0.980,   0.856)  ( 0.00,  0.19,  0.12)
176:     angle   ( -0.835,  -2.814,   3.339)  ( -0.835,  -2.814,   3.339)  ( 0.04,  0.01,  0.01)
176:     strbnd  ( -1.501,  -1.444,   1.827)  ( -1.501,  -1.444,   1.827)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.525,   0.316,  -0.288)  ( -0.525,   0.316,  -0.288)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.741,   2.922,  -5.758)  (  2.741,   2.922,  -5.758)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 15       ( -0.009,  -0.007,  -0.008)  ( -0.006,  -0.006,  -0.008)  ( 0.00,  0.00,  0.00)
176:     bond    (  2.025,   0.488,   0.203)  (  2.028,   0.489,   0.203)  ( 0.16,  0.01,  0.00)
176:     angle   (  0.918,  -6.276,   5.935)  (  0.918,  -6.276,   5.935)  ( 0.00,  0.01,  0.01)
176:     strbnd  (  0.315,  -0.157,   2.848)  (  0.315,  -0.157,   2.848)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.156,  -0.632,  -0.038)  (  0.156,  -0.632,  -0.038)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -3.424,   6.571,  -8.956)  ( -3.423,   6.571,  -8.956)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 16       (  0.004,  -0.019,  -0.010)  (  0.005,  -0.017,  -0.009)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.003,  -0.033,  -0.027)  ( -0.003,  -0.031,  -0.026)  ( 0.00,  0.01,  0.00)
176:     angle   (  0.672,  -2.508,   2.974)  (  0.672,  -2.507,   2.974)  ( 0.03,  0.01,  0.01)
176:     strbnd  (  0.326,  -0.072,   0.486)  (  0.326,  -0.072,   0.486)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.349,  -0.122,   0.183)  ( -0.349,  -0.122,   0.183)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.641,   2.715,  -3.627)  ( -0.641,   2.716,  -3.627)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 17       ( -0.002,  -0.006,  -0.010)  ( -0.001,  -0.005,  -0.007)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.770,  -0.513,   1.530)  ( -0.769,  -0.513,   1.533)  ( 0.05,  0.01,  0.16)
176:     angle   (  0.484,  -0.101,   0.210)  (  0.485,  -0.100,   0.210)  ( 0.02,  0.00,  0.00)
176:     strbnd  (  0.903,  -0.019,  -1.089)  (  0.903,  -0.019,  -1.089)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.167,  -0.152,  -0.135)  ( -0.167,  -0.152,  -0.135)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.453,   0.779,  -0.526)  ( -0.453,   0.779,  -0.526)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 18       (  0.009,  -0.007,  -0.006)  (  0.013,  -0.006,  -0.005)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.186,  -0.031,  -0.038)  ( -0.183,  -0.031,  -0.038)  ( 0.06,  0.00,  0.00)
176:     angle   ( -0.001,  -3.690,   3.012)  ( -0.001,  -3.689,   3.012)  ( 0.00,  0.01,  0.01)
176:     strbnd  ( -0.238,  -0.555,   0.057)  ( -0.238,  -0.555,   0.057)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.181,   0.195,   0.704)  ( -0.181,   0.195,   0.704)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.615,   4.074,  -3.740)  (  0.615,   4.074,  -3.740)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 19       (  0.019,  -0.041,   0.008)  (  0.020,  -0.038,   0.009)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.677,  -1.445,   0.292)  (  0.678,  -1.442,   0.292)  ( 0.04,  0.19,  0.00)
176:     angle   ( -1.005,  -1.216,  -3.671)  ( -1.005,  -1.216,  -3.670)  ( 0.04,  0.01,  0.02)
176:     strbnd  ( -1.742,  -0.148,  -1.789)  ( -1.742,  -0.148,  -1.789)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.210,   0.090,  -0.042)  (  0.210,   0.090,  -0.042)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.877,   2.677,   5.218)  (  1.877,   2.677,   5.218)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 20       ( -0.005,  -0.001,   0.002)  ( -0.002,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.952,  -0.106,   0.112)  ( -0.948,  -0.106,   0.112)  ( 0.32,  0.00,  0.00)
176:     angle   (  0.138,  -5.030,  -3.586)  (  0.138,  -5.030,  -3.585)  ( 0.00,  0.01,  0.02)
176:     strbnd  (  0.526,  -1.605,  -1.670)  (  0.526,  -1.605,  -1.670)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.072,  -0.421,   0.214)  (  0.072,  -0.421,   0.214)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.210,   7.161,   4.932)  (  0.210,   7.161,   4.932)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 21       (  0.018,  -0.034,   0.016)  (  0.019,  -0.031,   0.017)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.310,  -0.673,   0.202)  (  0.310,  -0.671,   0.202)  ( 0.02,  0.18,  0.00)
176:     angle   (  0.167,  -1.396,  -4.895)  (  0.167,  -1.396,  -4.895)  ( 0.01,  0.01,  0.01)
176:     strbnd  (  0.282,  -0.193,  -0.326)  (  0.282,  -0.193,  -0.326)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.415,  -0.240,  -0.161)  ( -0.415,  -0.240,  -0.161)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.326,   2.469,   5.196)  ( -0.326,   2.469,   5.196)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 22       (  0.021,   0.013,   0.021)  (  0.022,   0.015,   0.022)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.705,  -1.304,  -1.176)  ( -0.704,  -1.303,  -1.174)  ( 0.03,  0.12,  0.11)
176:     angle   (  0.266,   0.180,  -0.359)  (  0.266,   0.180,  -0.359)  ( 0.01,  0.00,  0.01)
176:     strbnd  (  0.688,   1.241,   0.578)  (  0.688,   1.241,   0.578)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.120,   0.072,  -0.007)  ( -0.120,   0.072,  -0.007)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.109,  -0.174,   0.986)  ( -0.109,  -0.174,   0.986)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 23       ( -0.000,  -0.006,  -0.006)  (  0.003,  -0.006,  -0.006)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.046,  -0.002,   0.007)  ( -0.043,  -0.002,   0.007)  ( 0.02,  0.00,  0.00)
176:     angle   ( -0.685,  -1.089,  -4.223)  ( -0.685,  -1.089,  -4.222)  ( 0.00,  0.04,  0.01)
176:     strbnd  ( -0.401,   0.150,  -0.337)  ( -0.401,   0.150,  -0.337)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.006,  -0.562,  -0.156)  ( -0.006,  -0.562,  -0.156)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.137,   1.497,   4.703)  (  1.137,   1.497,   4.703)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 24       (  0.001,   0.001,  -0.010)  (  0.002,   0.002,  -0.007)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.241,   0.312,  -0.823)  (  0.241,   0.312,  -0.820)  ( 0.01,  0.01,  0.23)
176:     angle   (  6.530,  -0.021,   1.914)  (  6.530,  -0.020,   1.914)  ( 0.01,  0.00,  0.01)
176:     strbnd  (  1.607,  -0.705,   1.140)  (  1.607,  -0.705,   1.140)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.241,   0.199,   0.005)  ( -0.241,   0.199,   0.005)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -8.135,   0.216,  -2.247)  ( -8.135,   0.216,  -2.246)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 25       (  0.001,  -0.003,  -0.006)  (  0.002,  -0.000,  -0.005)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.584,  -1.508,   0.127)  (  0.584,  -1.505,   0.127)  ( 0.03,  0.19,  0.00)
176:     angle   (  3.179,   1.068,  -1.976)  (  3.180,   1.068,  -1.975)  ( 0.02,  0.01,  0.03)
176:     strbnd  (  1.545,   1.128,  -0.502)  (  1.545,   1.128,  -0.502)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.227,   0.048,  -0.478)  (  0.227,   0.048,  -0.478)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -5.534,  -0.739,   2.823)  ( -5.534,  -0.739,   2.823)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 26       (  0.000,  -0.022,  -0.005)  (  0.001,  -0.019,  -0.005)  ( 0.00,  0.01,  0.00)
176:     bond    ( -0.113,   0.424,  -0.059)  ( -0.112,   0.427,  -0.059)  ( 0.00,  0.13,  0.00)
176:     angle   (  3.229,   1.089,   1.750)  (  3.230,   1.089,   1.750)  ( 0.01,  0.00,  0.03)
176:     strbnd  (  0.321,  -0.323,   0.447)  (  0.321,  -0.323,   0.447)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.630,   0.104,  -0.450)  (  0.630,   0.104,  -0.450)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.068,  -1.316,  -1.694)  ( -4.067,  -1.316,  -1.694)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 27       (  0.003,  -0.007,  -0.005)  (  0.004,  -0.006,  -0.002)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.111,   0.117,  -0.410)  (  0.111,   0.118,  -0.407)  ( 0.00,  0.00,  0.12)
176:     angle   (  3.583,   2.700,   1.758)  (  3.583,   2.701,   1.758)  ( 0.01,  0.02,  0.00)
176:     strbnd  (  0.267,   0.398,   0.009)  (  0.267,   0.398,   0.009)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.217,  -0.162,   0.012)  (  0.217,  -0.162,   0.012)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.174,  -3.061,  -1.375)  ( -4.174,  -3.061,  -1.375)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 28       ( -0.011,  -0.006,   0.002)  ( -0.007,  -0.005,   0.002)  ( 0.00,  0.00,  0.00)
176:     bond    (  1.690,  -0.082,  -0.103)  (  1.693,  -0.082,  -0.103)  ( 0.20,  0.00,  0.00)
176:     angle   (  0.030,   0.569,   0.034)  (  0.030,   0.569,   0.035)  ( 0.00,  0.03,  0.00)
176:     strbnd  ( -1.242,   0.339,   0.433)  ( -1.242,   0.339,   0.433)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.001,  -0.311,   0.262)  (  0.001,  -0.311,   0.262)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.489,  -0.521,  -0.624)  ( -0.489,  -0.521,  -0.624)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: ok 10 # gradients 
176: ok 11 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : surdox02.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
176:  1       (  0.013,  -0.116,  -0.042)  (  0.127,  -0.099,  -0.306)  ( 0.15,  0.20,  1.11)
176:     bond    (  2.996,  -0.181,   5.906)  (  3.000,  -0.170,   5.908)  ( 0.14,  0.21,  0.03)
176:     angle   ( -0.615,   0.021,  -2.208)  ( -0.614,   0.022,  -2.207)  ( 0.09,  0.00,  0.06)
176:     strbnd  ( 31.994,  -0.001,  12.086)  ( 31.994,  -0.002,  12.085)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.329,   0.014,  -0.811)  (  0.329,   0.014,  -0.811)  ( 0.00,  0.00,  0.01)
176:     oop     ( -0.655,  -0.027,   1.614)  ( -0.546,  -0.023,   1.348)  ( 7.08,  0.01, 16.52)
176:     vdw     ( -1.367,   0.002,  -0.677)  ( -1.367,   0.002,  -0.677)  ( 0.00,  0.00,  0.00)
176:     electro (-32.669,   0.057, -15.952)  (-32.669,   0.057, -15.952)  ( 0.00,  0.00,  0.00)
176:  2       ( -0.031,  -0.005,  -0.000)  ( -0.036,   0.000,   0.210)  ( 0.02,  0.00,  0.01)
176:     bond    (-24.654,  -0.013,  -8.873)  (-24.650,  -0.006,  -8.872)  ( 0.02,  0.01,  0.01)
176:     angle   ( 26.151,  -0.059,  14.095)  ( 26.154,  -0.057,  14.095)  ( 0.01,  0.01,  0.00)
176:     strbnd  ( -2.586,   0.026,  -2.810)  ( -2.588,   0.025,  -2.810)  ( 0.08,  0.00,  0.00)
176:     torsion (  0.950,   0.026,  -1.404)  (  0.950,   0.026,  -1.404)  ( 0.01,  0.00,  0.03)
176:     oop     (  0.109,   0.015,  -1.009)  (  0.099,   0.012,  -0.800)  ( 0.10,  0.00, 20.76)
176:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:  3       (  0.030,  -0.079,  -0.004)  ( -0.460,  -0.155,   0.812)  ( 1.47,  0.60,  0.36)
176:     bond    (  3.669,  20.808,   1.591)  (  3.675,  20.815,   1.593)  ( 0.15,  0.03,  0.11)
176:     angle   (-16.152,   8.087,  -6.190)  (-16.150,   8.089,  -6.189)  ( 0.01,  0.02,  0.01)
176:     strbnd  (-15.060, -18.986,  -5.342)  (-15.060, -18.986,  -5.342)  ( 0.00,  0.00,  0.00)
176:     torsion ( -4.285,   0.335,   9.829)  ( -4.285,   0.335,   9.829)  ( 0.00,  0.00,  0.00)
176:     oop     (  3.601,   1.017,  -6.100)  (  3.104,   0.933,  -5.286)  (13.80,  8.25, 13.34)
176:     vdw     (  4.304,  -0.146,   0.652)  (  4.304,  -0.146,   0.652)  ( 0.00,  0.00,  0.00)
176:     electro ( 23.952, -11.196,   5.555)  ( 23.952, -11.196,   5.555)  ( 0.00,  0.00,  0.00)
176:  4       (  0.007,   0.012,  -0.004)  (  0.009,   0.018,  -0.003)  ( 0.00,  0.01,  0.00)
176:     bond    (  1.917,   4.448,  -1.522)  (  1.918,   4.454,  -1.521)  ( 0.06,  0.13,  0.05)
176:     angle   (  0.657,  -0.203,   0.234)  (  0.657,  -0.203,   0.234)  ( 0.04,  0.00,  0.01)
176:     strbnd  (  0.365,   0.126,   0.367)  (  0.365,   0.126,   0.367)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.311,  -0.150,  -0.658)  ( -4.311,  -0.150,  -0.658)  ( 0.00,  0.00,  0.00)
176:     electro (  1.379,  -4.208,   1.576)  (  1.379,  -4.208,   1.576)  ( 0.00,  0.00,  0.00)
176:  5       (  0.011,   0.000,   0.007)  (  0.314,   0.017,  -0.395)  ( 0.34,  0.00,  0.28)
176:     bond    (  2.147,   0.095,   1.594)  (  2.150,   0.095,   1.596)  ( 0.15,  0.00,  0.11)
176:     angle   (  0.148,  -1.267,  -0.124)  (  0.148,  -1.266,  -0.124)  ( 0.00,  0.05,  0.00)
176:     strbnd  (  0.091,   0.467,  -0.005)  (  0.091,   0.467,  -0.005)  ( 0.00,  0.00,  0.00)
176:     torsion (  2.685,  -0.730,  -3.574)  (  2.685,  -0.730,  -3.574)  ( 0.00,  0.00,  0.00)
176:     oop     ( -2.057,  -0.336,   2.792)  ( -1.758,  -0.320,   2.387)  (14.55,  0.54, 14.48)
176:     vdw     ( -0.057,   0.074,  -0.025)  ( -0.057,   0.074,  -0.025)  ( 0.00,  0.00,  0.00)
176:     electro ( -2.946,   1.696,  -0.650)  ( -2.946,   1.696,  -0.650)  ( 0.00,  0.00,  0.00)
176:  6       ( -0.032,   0.038,  -0.003)  (  0.117,   0.131,  -0.383)  ( 0.49,  0.35,  0.12)
176:     bond    (  2.991,  -4.569,   0.099)  (  2.993,  -4.566,   0.099)  ( 0.05,  0.07,  0.00)
176:     angle   (  2.530,   1.664,   0.255)  (  2.530,   1.664,   0.256)  ( 0.02,  0.01,  0.00)
176:     strbnd  ( -0.003,   0.684,   0.085)  ( -0.003,   0.684,   0.085)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.960,   0.517,  -5.145)  (  0.960,   0.517,  -5.145)  ( 0.00,  0.00,  0.00)
176:     oop     ( -1.271,  -0.767,   3.004)  ( -1.123,  -0.679,   2.624)  (11.64,  6.80, 12.66)
176:     vdw     (  0.745,   0.835,   0.378)  (  0.745,   0.835,   0.378)  ( 0.00,  0.00,  0.00)
176:     electro ( -5.985,   1.676,   1.320)  ( -5.985,   1.676,   1.320)  ( 0.00,  0.00,  0.00)
176:  7       ( -0.036,   0.074,   0.033)  ( -0.035,   0.080,   0.034)  ( 0.01,  0.04,  0.00)
176:     bond    (  1.920,  -4.294,  -1.614)  (  1.922,  -4.288,  -1.613)  ( 0.06,  0.13,  0.05)
176:     angle   (  0.658,   0.204,   0.241)  (  0.659,   0.204,   0.242)  ( 0.04,  0.00,  0.01)
176:     strbnd  (  0.365,  -0.134,   0.362)  (  0.365,  -0.134,   0.361)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.313,   0.123,  -0.654)  ( -4.313,   0.123,  -0.654)  ( 0.00,  0.00,  0.00)
176:     electro (  1.333,   4.175,   1.698)  (  1.333,   4.175,   1.698)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.030,   0.041,  -0.031)  ( -0.521,   0.105,   0.787)  ( 1.48,  0.26,  2.57)
176:     bond    (  3.840, -20.844,   0.957)  (  3.846, -20.837,   0.959)  ( 0.14,  0.03,  0.17)
176:     angle   (-16.070,  -8.077,  -6.428)  (-16.068,  -8.075,  -6.428)  ( 0.01,  0.02,  0.01)
176:     strbnd  (-15.264,  18.971,  -4.788)  (-15.265,  18.971,  -4.788)  ( 0.00,  0.00,  0.00)
176:     torsion ( -4.280,  -0.668,   9.814)  ( -4.280,  -0.668,   9.814)  ( 0.00,  0.00,  0.00)
176:     oop     (  3.611,  -0.800,  -6.126)  (  3.114,  -0.745,  -5.311)  (13.78,  4.38, 13.32)
176:     vdw     (  4.302,   0.173,   0.657)  (  4.302,   0.173,   0.657)  ( 0.00,  0.00,  0.00)
176:     electro ( 23.831,  11.286,   5.883)  ( 23.831,  11.286,   5.883)  ( 0.00,  0.00,  0.00)
176:  9       (  0.044,  -0.007,   0.032)  (  0.346,  -0.007,  -0.371)  ( 1.32,  0.00,  1.28)
176:     bond    (  2.181,  -0.120,   1.616)  (  2.185,  -0.120,   1.617)  ( 0.14,  0.00,  0.11)
176:     angle   (  0.134,   1.267,  -0.087)  (  0.134,   1.267,  -0.087)  ( 0.00,  0.05,  0.00)
176:     strbnd  (  0.096,  -0.466,  -0.019)  (  0.096,  -0.466,  -0.019)  ( 0.00,  0.00,  0.00)
176:     torsion (  2.677,   0.863,  -3.551)  (  2.677,   0.863,  -3.551)  ( 0.00,  0.00,  0.00)
176:     oop     ( -2.060,   0.232,   2.800)  ( -1.761,   0.231,   2.396)  (14.53,  0.03, 14.45)
176:     vdw     ( -0.056,  -0.074,  -0.027)  ( -0.056,  -0.074,  -0.027)  ( 0.00,  0.00,  0.00)
176:     electro ( -2.928,  -1.708,  -0.700)  ( -2.928,  -1.708,  -0.700)  ( 0.00,  0.00,  0.00)
176: 10       ( -0.012,  -0.017,  -0.002)  (  0.139,  -0.089,  -0.384)  ( 0.17,  0.12,  0.07)
176:     bond    (  2.961,   4.619,   0.235)  (  2.962,   4.623,   0.235)  ( 0.05,  0.07,  0.00)
176:     angle   (  2.550,  -1.645,   0.209)  (  2.551,  -1.645,   0.209)  ( 0.02,  0.01,  0.00)
176:     strbnd  (  0.004,  -0.685,   0.065)  (  0.004,  -0.685,   0.065)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.965,  -0.356,  -5.158)  (  0.965,  -0.356,  -5.158)  ( 0.00,  0.00,  0.00)
176:     oop     ( -1.278,   0.666,   3.025)  ( -1.130,   0.590,   2.642)  (11.64,  5.06, 12.65)
176:     vdw     (  0.753,  -0.837,   0.354)  (  0.753,  -0.837,   0.354)  ( 0.00,  0.00,  0.00)
176:     electro ( -5.967,  -1.778,   1.269)  ( -5.967,  -1.778,   1.269)  ( 0.00,  0.00,  0.00)
176: ok 12 # gradients 
176: ok 13 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : valwou.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
176:  1       ( -0.011,   0.008,  -0.002)  ( -0.007,   0.009,   0.001)  ( 0.00,  0.00,  0.00)
176:     bond    (-15.066,   0.590,  13.579)  (-15.064,   0.590,  13.581)  ( 0.02,  0.02,  0.01)
176:     angle   (  8.215,  21.265,  -1.187)  (  8.215,  21.265,  -1.186)  ( 0.01,  0.00,  0.09)
176:     strbnd  ( 13.283,   1.537, -11.705)  ( 13.283,   1.537, -11.705)  ( 0.00,  0.01,  0.00)
176:     torsion (  0.469,  -0.818,  -0.491)  (  0.469,  -0.818,  -0.491)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (-16.349, -14.076,  -9.889)  (-16.349, -14.076,  -9.889)  ( 0.00,  0.00,  0.00)
176:     electro (  9.439,  -8.489,   9.691)  (  9.439,  -8.489,   9.691)  ( 0.00,  0.00,  0.00)
176:  2       (  0.049,  -0.041,  -0.050)  (  0.056,  -0.038,  -0.044)  ( 0.03,  0.01,  0.03)
176:     bond    ( -1.989,  -5.973,   5.396)  ( -1.982,  -5.971,   5.401)  ( 0.31,  0.05,  0.09)
176:     angle   ( 12.171,  18.575,  -1.290)  ( 12.172,  18.576,  -1.289)  ( 0.01,  0.01,  0.12)
176:     strbnd  ( -6.382, -16.381,   1.658)  ( -6.383, -16.382,   1.658)  ( 0.01,  0.00,  0.03)
176:     torsion (  1.307,  -0.613,  -0.923)  (  1.307,  -0.613,  -0.923)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.101,   3.444,  -3.337)  ( -4.101,   3.444,  -3.336)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.957,   0.907,  -1.554)  ( -0.957,   0.907,  -1.554)  ( 0.00,  0.00,  0.00)
176:  3       ( -0.003,   0.017,   0.026)  ( -0.002,   0.019,   0.030)  ( 0.00,  0.00,  0.01)
176:     bond    (  0.886,  -2.327,  -4.505)  (  0.886,  -2.325,  -4.501)  ( 0.02,  0.05,  0.10)
176:     angle   ( -9.163,  -7.934,   2.295)  ( -9.162,  -7.934,   2.295)  ( 0.01,  0.00,  0.00)
176:     strbnd  (  0.035,  -1.201,  -0.650)  (  0.035,  -1.201,  -0.650)  ( 0.00,  0.01,  0.01)
176:     torsion ( -1.075,   0.327,  -0.381)  ( -1.075,   0.327,  -0.381)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -2.954,   9.054,  -3.466)  ( -2.954,   9.054,  -3.466)  ( 0.00,  0.00,  0.00)
176:     electro ( 12.267,   2.097,   6.733)  ( 12.267,   2.097,   6.733)  ( 0.00,  0.00,  0.00)
176:  4       ( -0.066,   0.014,   0.013)  ( -0.060,   0.015,   0.014)  ( 0.04,  0.00,  0.00)
176:     bond    ( -1.807,   0.231,   0.350)  ( -1.802,   0.231,   0.350)  ( 0.32,  0.00,  0.01)
176:     angle   ( -2.264, -11.394,  -4.125)  ( -2.264, -11.394,  -4.124)  ( 0.00,  0.01,  0.01)
176:     strbnd  ( -1.121,  -0.534,   0.432)  ( -1.121,  -0.534,   0.432)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.219,   0.087,   1.070)  (  0.219,   0.087,   1.070)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -5.300,   9.953, -11.232)  ( -5.300,   9.953, -11.232)  ( 0.00,  0.00,  0.00)
176:     electro ( 10.207,   1.672,  13.519)  ( 10.207,   1.672,  13.519)  ( 0.00,  0.00,  0.00)
176:  5       (  0.024,  -0.012,   0.001)  (  0.031,  -0.008,   0.006)  ( 0.02,  0.00,  0.00)
176:     bond    ( -2.431,  13.799,  -9.128)  ( -2.426,  13.802,  -9.124)  ( 0.21,  0.02,  0.05)
176:     angle   (-13.514, -12.442,   3.433)  (-13.512, -12.439,   3.435)  ( 0.02,  0.02,  0.07)
176:     strbnd  ( 10.215,   7.073,   7.282)  ( 10.214,   7.072,   7.280)  ( 0.01,  0.02,  0.02)
176:     torsion ( -0.178,  -0.134,  -0.164)  ( -0.178,  -0.134,  -0.164)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -3.406,   1.106,   0.053)  ( -3.406,   1.106,   0.053)  ( 0.00,  0.00,  0.00)
176:     electro (  9.338,  -9.414,  -1.474)  (  9.338,  -9.414,  -1.474)  ( 0.00,  0.00,  0.00)
176:  6       ( -0.012,   0.002,   0.003)  ( -0.008,   0.003,   0.004)  ( 0.01,  0.00,  0.00)
176:     bond    (  1.492,  -0.032,   0.115)  (  1.496,  -0.032,   0.116)  ( 0.29,  0.00,  0.00)
176:     angle   (  0.143,   3.198,  -0.968)  (  0.143,   3.199,  -0.968)  ( 0.00,  0.02,  0.08)
176:     strbnd  (  0.299,   1.855,  -1.309)  (  0.299,   1.855,  -1.309)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.068,   0.501,   1.024)  ( -0.068,   0.501,   1.024)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.080,  -0.124,  -0.022)  (  0.080,  -0.124,  -0.022)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.958,  -5.395,   1.163)  ( -1.958,  -5.395,   1.163)  ( 0.00,  0.00,  0.00)
176:  7       ( -0.003,   0.001,  -0.011)  ( -0.002,   0.003,  -0.008)  ( 0.00,  0.00,  0.00)
176:     bond    (  1.037,  -1.995,  -2.372)  (  1.037,  -1.994,  -2.370)  ( 0.04,  0.08,  0.10)
176:     angle   (  7.753,   4.193,  -0.134)  (  7.753,   4.193,  -0.134)  ( 0.01,  0.01,  0.00)
176:     strbnd  ( -1.461,   4.844,   2.139)  ( -1.461,   4.844,   2.139)  ( 0.01,  0.00,  0.00)
176:     torsion ( -0.878,  -0.004,  -0.381)  ( -0.878,  -0.004,  -0.381)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.671,  -0.499,  -3.122)  ( -4.671,  -0.499,  -3.122)  ( 0.00,  0.00,  0.00)
176:     electro ( -1.784,  -6.538,   3.859)  ( -1.784,  -6.538,   3.859)  ( 0.00,  0.00,  0.00)
176:  8       ( -0.032,  -0.009,  -0.062)  ( -0.026,  -0.003,  -0.056)  ( 0.02,  0.01,  0.04)
176:     bond    ( 28.388,  -6.583,  25.817)  ( 28.392,  -6.579,  25.822)  ( 0.01,  0.07,  0.02)
176:     angle   ( 20.852, -42.145,   9.628)  ( 20.855, -42.143,   9.631)  ( 0.01,  0.01,  0.03)
176:     strbnd  (-22.777,  13.988,  -5.015)  (-22.779,  13.987,  -5.016)  ( 0.01,  0.01,  0.03)
176:     torsion (  0.321,   0.437,   0.397)  (  0.321,   0.437,   0.397)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -4.001,  -4.773,  -0.834)  ( -4.001,  -4.773,  -0.833)  ( 0.00,  0.00,  0.01)
176:     electro (-22.814,  39.068, -30.055)  (-22.814,  39.068, -30.055)  ( 0.00,  0.00,  0.00)
176:  9       ( -0.012,  -0.016,   0.015)  ( -0.010,  -0.015,   0.019)  ( 0.00,  0.00,  0.01)
176:     bond    (  4.898,   2.108, -13.219)  (  4.899,   2.108, -13.215)  ( 0.01,  0.00,  0.03)
176:     angle   (-15.468,  14.840,  -3.366)  (-15.467,  14.841,  -3.366)  ( 0.00,  0.01,  0.00)
176:     strbnd  (  2.100,  -0.558,   3.958)  (  2.100,  -0.557,   3.957)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.237,   0.413,  -0.022)  ( -0.237,   0.413,  -0.022)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.287,  -9.907,  -2.057)  (  2.287,  -9.907,  -2.057)  ( 0.01,  0.00,  0.00)
176:     electro (  6.408,  -6.914,  14.722)  (  6.408,  -6.914,  14.722)  ( 0.00,  0.00,  0.00)
176: 10       (  0.005,   0.002,  -0.008)  (  0.006,   0.006,  -0.007)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.622,   8.610,  -1.046)  ( -0.621,   8.614,  -1.046)  ( 0.00,  0.05,  0.01)
176:     angle   ( -2.836,  -0.584,  -3.128)  ( -2.836,  -0.584,  -3.128)  ( 0.03,  0.00,  0.03)
176:     strbnd  (  3.566,  -9.587,   2.403)  (  3.565,  -9.587,   2.403)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.022,  -0.015,  -0.134)  (  0.022,  -0.015,  -0.134)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -6.627,  -4.176,  -5.962)  ( -6.626,  -4.176,  -5.962)  ( 0.00,  0.00,  0.00)
176:     electro (  6.502,   5.754,   7.859)  (  6.502,   5.754,   7.859)  ( 0.00,  0.00,  0.00)
176: 11       (  0.002,   0.013,   0.066)  (  0.007,   0.019,   0.072)  ( 0.00,  0.01,  0.04)
176:     bond    (  1.773,   2.387,  -5.000)  (  1.776,   2.390,  -4.997)  ( 0.16,  0.12,  0.06)
176:     angle   (  0.727,  15.938,  -2.297)  (  0.730,  15.941,  -2.294)  ( 0.20,  0.02,  0.12)
176:     strbnd  (  3.999,   0.582,   7.350)  (  3.998,   0.581,   7.349)  ( 0.02,  0.04,  0.01)
176:     torsion (  0.269,  -0.168,  -0.155)  (  0.269,  -0.168,  -0.155)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (-12.090,  -5.836, -10.984)  (-12.090,  -5.836, -10.983)  ( 0.00,  0.00,  0.00)
176:     electro (  5.324, -12.890,  11.152)  (  5.324, -12.890,  11.152)  ( 0.00,  0.00,  0.00)
176: 12       (  0.053,   0.047,   0.012)  (  0.059,   0.054,   0.016)  ( 0.03,  0.03,  0.00)
176:     bond    ( 12.471,   8.264,  -8.201)  ( 12.475,   8.269,  -8.198)  ( 0.03,  0.05,  0.04)
176:     angle   ( -4.431,  -3.492,  12.184)  ( -4.428,  -3.490,  12.186)  ( 0.05,  0.06,  0.02)
176:     strbnd  ( -0.524,  -0.135,  -1.592)  ( -0.525,  -0.135,  -1.593)  ( 0.04,  0.01,  0.09)
176:     torsion (  0.324,   0.205,  -0.795)  (  0.324,   0.205,  -0.795)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -2.153,  -5.825,  12.012)  ( -2.153,  -5.825,  12.012)  ( 0.01,  0.00,  0.00)
176:     electro ( -5.634,   1.031, -13.597)  ( -5.634,   1.031, -13.597)  ( 0.00,  0.00,  0.00)
176: 13       ( -0.033,   0.044,  -0.066)  ( -0.028,   0.050,  -0.060)  ( 0.02,  0.02,  0.04)
176:     bond    ( -1.022,   2.769, -11.636)  ( -1.018,   2.773, -11.632)  ( 0.38,  0.15,  0.04)
176:     angle   (  2.667,  -0.692,   3.803)  (  2.669,  -0.690,   3.805)  ( 0.08,  0.14,  0.05)
176:     strbnd  ( -0.724,  -0.340,  -1.109)  ( -0.725,  -0.341,  -1.109)  ( 0.06,  0.02,  0.06)
176:     torsion (  0.405,   1.098,  -1.920)  (  0.405,   1.098,  -1.920)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -1.359,  -2.790,  10.796)  ( -1.359,  -2.790,  10.796)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 14       (  0.007,  -0.025,   0.013)  (  0.013,  -0.021,   0.019)  ( 0.00,  0.01,  0.01)
176:     bond    ( 11.175, -20.171,  13.213)  ( 11.179, -20.168,  13.217)  ( 0.04,  0.02,  0.03)
176:     angle   (  2.571,   9.759,   3.518)  (  2.573,   9.761,   3.520)  ( 0.08,  0.02,  0.06)
176:     strbnd  ( -2.280,   2.701,  -3.055)  ( -2.280,   2.700,  -3.056)  ( 0.02,  0.05,  0.02)
176:     torsion ( -0.110,  -0.615,   0.673)  ( -0.110,  -0.615,   0.673)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.374,  10.869,  -0.069)  (  0.374,  10.869,  -0.069)  ( 0.01,  0.00,  0.00)
176:     electro (-11.723,  -2.568, -14.267)  (-11.723,  -2.568, -14.267)  ( 0.00,  0.00,  0.00)
176: 15       (  0.013,  -0.037,  -0.024)  (  0.019,  -0.032,  -0.019)  ( 0.01,  0.02,  0.01)
176:     bond    ( -3.351, -12.352,  -4.364)  ( -3.347, -12.347,  -4.360)  ( 0.12,  0.03,  0.09)
176:     angle   (  1.262,   4.111,   2.963)  (  1.264,   4.113,   2.965)  ( 0.16,  0.05,  0.07)
176:     strbnd  (  0.414,  -1.051,   0.669)  (  0.413,  -1.052,   0.669)  ( 0.03,  0.07,  0.04)
176:     torsion (  0.521,  -2.349,  -0.078)  (  0.521,  -2.349,  -0.078)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  1.168,  11.604,   0.785)  (  1.168,  11.604,   0.785)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 16       ( -0.001,   0.047,  -0.037)  (  0.003,   0.054,  -0.031)  ( 0.00,  0.03,  0.02)
176:     bond    (-10.254,  10.924,  12.441)  (-10.251,  10.929,  12.446)  ( 0.03,  0.04,  0.03)
176:     angle   ( 11.832,  -5.832,   1.537)  ( 11.834,  -5.830,   1.540)  ( 0.02,  0.04,  0.14)
176:     strbnd  (  3.079,  -1.593,  -1.792)  (  3.078,  -1.593,  -1.793)  ( 0.04,  0.03,  0.03)
176:     torsion ( -0.671,   0.413,   0.394)  ( -0.671,   0.413,   0.394)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( 10.629,  -5.544,  -4.869)  ( 10.629,  -5.544,  -4.869)  ( 0.00,  0.00,  0.00)
176:     electro (-14.616,   1.679,  -7.750)  (-14.616,   1.679,  -7.750)  ( 0.00,  0.00,  0.00)
176: 17       (  0.044,  -0.013,  -0.069)  (  0.050,  -0.007,  -0.064)  ( 0.02,  0.01,  0.04)
176:     bond    (-11.600,   1.517,   0.561)  (-11.596,   1.521,   0.565)  ( 0.04,  0.28,  0.22)
176:     angle   (  4.361,   1.078,   1.006)  (  4.363,   1.080,   1.008)  ( 0.05,  0.19,  0.21)
176:     strbnd  ( -1.688,  -0.141,  -0.612)  ( -1.689,  -0.142,  -0.613)  ( 0.04,  0.01,  0.05)
176:     torsion ( -1.913,   0.730,   0.873)  ( -1.913,   0.730,   0.873)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( 10.884,  -3.197,  -1.897)  ( 10.884,  -3.196,  -1.897)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 18       ( -0.052,   0.010,   0.016)  ( -0.046,   0.015,   0.022)  ( 0.03,  0.01,  0.01)
176:     bond    ( -8.989,  -3.786,  -7.821)  ( -8.985,  -3.782,  -7.817)  ( 0.04,  0.10,  0.05)
176:     angle   ( -7.201,  -4.293,  -6.623)  ( -7.199,  -4.291,  -6.620)  ( 0.03,  0.05,  0.03)
176:     strbnd  (  0.874,   0.570,   0.666)  (  0.873,   0.569,   0.665)  ( 0.06,  0.05,  0.05)
176:     torsion (  3.308,   1.707,   2.879)  (  3.308,   1.708,   2.879)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( 11.956,   5.812,  10.915)  ( 11.956,   5.812,  10.915)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 19       ( -0.010,  -0.054,  -0.000)  ( -0.010,  -0.051,   0.000)  ( 0.00,  0.02,  0.00)
176:     bond    (  0.153,   1.775,  -0.001)  (  0.153,   1.779,  -0.001)  ( 0.00,  0.19,  0.00)
176:     angle   (  0.670,  -0.060,  -4.842)  (  0.670,  -0.060,  -4.841)  ( 0.03,  0.00,  0.01)
176:     strbnd  (  0.815,   0.040,  -1.119)  (  0.815,   0.040,  -1.119)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.405,   0.035,   0.864)  ( -0.405,   0.035,   0.864)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -1.243,  -1.845,   5.098)  ( -1.243,  -1.845,   5.098)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 20       ( -0.030,   0.008,  -0.000)  ( -0.027,   0.009,   0.001)  ( 0.01,  0.00,  0.00)
176:     bond    (  1.090,  -0.510,  -0.354)  (  1.093,  -0.510,  -0.354)  ( 0.24,  0.03,  0.01)
176:     angle   ( -1.149,   1.385,  -5.542)  ( -1.148,   1.385,  -5.542)  ( 0.01,  0.03,  0.01)
176:     strbnd  (  0.136,   1.058,  -0.892)  (  0.136,   1.058,  -0.892)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.156,  -0.327,  -0.012)  ( -0.156,  -0.327,  -0.012)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.048,  -1.599,   6.800)  (  0.048,  -1.599,   6.800)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 21       (  0.026,  -0.047,   0.017)  (  0.027,  -0.045,   0.018)  ( 0.00,  0.01,  0.00)
176:     bond    ( -1.201,   2.098,  -1.005)  ( -1.200,   2.100,  -1.004)  ( 0.06,  0.10,  0.05)
176:     angle   (  1.262,  -0.296,  -2.127)  (  1.262,  -0.296,  -2.126)  ( 0.04,  0.01,  0.02)
176:     strbnd  (  0.580,  -0.948,  -0.176)  (  0.580,  -0.948,  -0.176)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.425,  -0.185,   0.120)  ( -0.425,  -0.185,   0.120)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     ( -0.190,  -0.716,   3.204)  ( -0.190,  -0.716,   3.204)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 22       ( -0.010,   0.005,   0.009)  ( -0.009,   0.007,   0.011)  ( 0.00,  0.00,  0.00)
176:     bond    (  1.021,  -1.244,  -1.972)  (  1.022,  -1.244,  -1.970)  ( 0.05,  0.07,  0.10)
176:     angle   (  0.097,   2.258,  -1.376)  (  0.097,   2.259,  -1.375)  ( 0.00,  0.02,  0.01)
176:     strbnd  ( -0.623,   0.860,   0.374)  ( -0.623,   0.860,   0.374)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.785,  -0.995,   0.221)  ( -0.785,  -0.995,   0.221)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.280,  -0.873,   2.761)  (  0.280,  -0.873,   2.761)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 23       ( -0.000,  -0.002,  -0.005)  (  0.003,  -0.001,  -0.004)  ( 0.00,  0.00,  0.00)
176:     bond    ( -2.170,   0.852,   0.493)  ( -2.167,   0.853,   0.494)  ( 0.13,  0.04,  0.01)
176:     angle   ( -2.709,  -4.551,  -4.037)  ( -2.709,  -4.550,  -4.036)  ( 0.00,  0.01,  0.01)
176:     strbnd  (  0.176,  -2.037,   0.838)  (  0.176,  -2.037,   0.838)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.238,   0.878,  -0.470)  (  0.238,   0.878,  -0.470)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  4.466,   4.856,   3.170)  (  4.466,   4.856,   3.170)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 24       ( -0.002,   0.009,  -0.015)  ( -0.001,   0.010,  -0.012)  ( 0.00,  0.00,  0.00)
176:     bond    (  0.707,   0.613,  -2.070)  (  0.707,   0.614,  -2.067)  ( 0.02,  0.02,  0.14)
176:     angle   ( -4.504,  -2.559,  -2.301)  ( -4.503,  -2.559,  -2.301)  ( 0.01,  0.02,  0.01)
176:     strbnd  (  0.695,  -2.064,   0.376)  (  0.695,  -2.064,   0.376)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.221,  -0.053,  -0.091)  ( -0.221,  -0.053,  -0.091)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  3.321,   4.072,   4.071)  (  3.321,   4.072,   4.071)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 25       ( -0.009,  -0.007,  -0.002)  ( -0.007,  -0.005,  -0.001)  ( 0.00,  0.00,  0.00)
176:     bond    ( -1.648,  -1.647,   1.112)  ( -1.647,  -1.646,   1.112)  ( 0.08,  0.08,  0.06)
176:     angle   (  1.712,  -2.113,  -0.592)  (  1.713,  -2.113,  -0.591)  ( 0.02,  0.01,  0.03)
176:     strbnd  (  0.745,   0.180,  -0.903)  (  0.745,   0.180,  -0.903)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.112,   0.821,  -0.431)  ( -1.112,   0.821,  -0.431)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.294,   2.752,   0.812)  (  0.294,   2.752,   0.812)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 26       ( -0.008,   0.000,   0.010)  ( -0.007,   0.001,   0.012)  ( 0.00,  0.00,  0.00)
176:     bond    (  1.332,  -1.438,  -1.930)  (  1.333,  -1.438,  -1.928)  ( 0.06,  0.06,  0.09)
176:     angle   ( -0.781,  -2.060,   0.995)  ( -0.781,  -2.059,   0.995)  ( 0.03,  0.02,  0.03)
176:     strbnd  ( -0.923,   0.023,   0.780)  ( -0.923,   0.023,   0.780)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.202,   0.234,  -0.314)  ( -0.202,   0.234,  -0.314)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.566,   3.241,   0.479)  (  0.566,   3.241,   0.479)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 27       (  0.005,  -0.016,   0.014)  (  0.006,  -0.015,   0.017)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.381,  -0.596,   1.972)  ( -0.381,  -0.596,   1.975)  ( 0.00,  0.02,  0.15)
176:     angle   ( -5.129,   2.087,  -0.360)  ( -5.128,   2.087,  -0.360)  ( 0.01,  0.02,  0.00)
176:     strbnd  ( -1.239,   1.214,   0.126)  ( -1.239,   1.214,   0.126)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.569,  -0.651,  -0.087)  (  0.569,  -0.651,  -0.087)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  6.185,  -2.069,  -1.637)  (  6.186,  -2.069,  -1.637)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 28       (  0.001,  -0.026,  -0.001)  (  0.001,  -0.023,   0.000)  ( 0.00,  0.01,  0.00)
176:     bond    (  0.029,   2.103,  -0.090)  (  0.029,   2.106,  -0.090)  ( 0.00,  0.16,  0.00)
176:     angle   ( -3.823,   0.096,   0.999)  ( -3.823,   0.096,   0.999)  ( 0.02,  0.00,  0.05)
176:     strbnd  ( -1.408,   0.111,   1.022)  ( -1.408,   0.111,   1.022)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.186,  -0.014,  -0.265)  (  0.186,  -0.014,  -0.265)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  5.016,  -2.322,  -1.666)  (  5.016,  -2.322,  -1.666)  ( 0.00,  0.00,  0.00)
175: 68       (  0.121,   0.190,   0.044)  (  0.122,   0.191,   0.047)  ( 0.01,  0.02,  0.01)
175:     bond    ( -0.946,   0.945,   2.916)  ( -0.946,   0.945,   2.919)  ( 0.03,  0.03,  0.09)
175:     angle   (  2.086,  -0.263,   0.761)  (  2.086,  -0.263,   0.761)  ( 0.03,  0.01,  0.01)
175:     strbnd  (  0.013,  -1.433,  -0.930)  (  0.013,  -1.433,  -0.930)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.192,  -1.114,   0.423)  (  0.192,  -1.114,   0.423)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.224,   2.055,  -3.126)  ( -1.224,   2.055,  -3.126)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 69       (  0.670,   0.306,   0.584)  (  0.671,   0.308,   0.587)  ( 0.08,  0.04,  0.14)
175:     bond    ( -0.089,   0.102,   0.156)  ( -0.088,   0.103,   0.158)  ( 0.01,  0.01,  0.03)
175:     angle   (  0.439,  -2.980,   2.180)  (  0.440,  -2.979,   2.180)  ( 0.02,  0.02,  0.01)
175:     strbnd  (  0.329,   0.312,   1.723)  (  0.329,   0.312,   1.723)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.972,  -0.601,   0.932)  (  0.972,  -0.601,   0.933)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.982,   3.473,  -4.407)  ( -0.982,   3.473,  -4.407)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 70       (  0.106,   0.582,   0.566)  (  0.107,   0.583,   0.568)  ( 0.02,  0.04,  0.13)
175:     bond    (  1.818,  -0.560,   2.482)  (  1.819,  -0.560,   2.484)  ( 0.06,  0.01,  0.08)
175:     angle   ( -0.401,  -1.568,  -0.060)  ( -0.400,  -1.567,  -0.060)  ( 0.01,  0.04,  0.00)
175:     strbnd  ( -0.251,  -0.339,  -2.165)  ( -0.251,  -0.339,  -2.165)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.175,   0.745,   1.028)  ( -1.175,   0.745,   1.028)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.115,   2.304,  -0.719)  (  0.115,   2.304,  -0.719)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 71       (  0.738,   0.197,   0.250)  (  0.741,   0.198,   0.251)  ( 0.20,  0.02,  0.02)
175:     bond    (  1.848,   0.749,  -0.682)  (  1.850,   0.749,  -0.682)  ( 0.14,  0.03,  0.02)
175:     angle   ( -0.676,  -2.968,  -5.094)  ( -0.676,  -2.967,  -5.094)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -1.187,  -1.166,  -0.503)  ( -1.187,  -1.166,  -0.503)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.213,  -0.324,   0.223)  (  0.213,  -0.324,   0.223)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.541,   3.906,   6.307)  (  0.541,   3.906,   6.307)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 72       (  0.699,   1.329,  -0.078)  (  0.701,   1.330,  -0.076)  ( 0.13,  0.05,  0.02)
175:     bond    ( -0.821,   0.235,  -0.916)  ( -0.820,   0.235,  -0.914)  ( 0.12,  0.00,  0.17)
175:     angle   (  3.757,  -0.301,  -3.447)  (  3.757,  -0.301,  -3.447)  ( 0.01,  0.01,  0.01)
175:     strbnd  (  1.187,  -0.802,  -0.115)  (  1.187,  -0.802,  -0.115)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.090,  -0.149,   0.042)  ( -0.090,  -0.149,   0.042)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.334,   2.346,   4.357)  ( -3.333,   2.346,   4.357)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 73       ( -0.259,   0.501,  -0.385)  ( -0.258,   0.505,  -0.385)  ( 0.01,  0.17,  0.02)
175:     bond    ( -0.024,   0.218,  -0.017)  ( -0.024,   0.221,  -0.017)  ( 0.00,  0.07,  0.00)
175:     angle   (  2.747,   0.023,  -3.607)  (  2.748,   0.023,  -3.606)  ( 0.02,  0.00,  0.02)
175:     strbnd  (  0.214,   0.580,  -1.173)  (  0.214,   0.580,  -1.173)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.122,  -0.015,  -0.032)  ( -0.122,  -0.015,  -0.032)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.075,  -0.304,   4.442)  ( -3.075,  -0.304,   4.443)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 74       (  0.198,   2.184,  -1.550)  (  0.200,   2.185,  -1.547)  ( 0.04,  0.04,  0.23)
175:     bond    ( -0.028,  -0.019,  -0.043)  ( -0.027,  -0.018,  -0.040)  ( 0.00,  0.00,  0.01)
175:     angle   (  2.217,   0.907,  -1.911)  (  2.217,   0.907,  -1.911)  ( 0.01,  0.00,  0.01)
175:     strbnd  (  0.644,   0.343,   0.113)  (  0.644,   0.343,   0.113)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.820,   1.602,  -0.191)  ( -0.820,   1.602,  -0.191)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.896,  -0.668,   0.650)  ( -1.896,  -0.668,   0.650)  ( 0.00,  0.00,  0.00)
175:     electro (  0.081,   0.018,  -0.168)  (  0.081,   0.018,  -0.168)  ( 0.00,  0.00,  0.00)
175: ok 22 # gradients 
175: ok 23 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( -0.188,  -0.096,  -0.051)  ( -0.199,  -0.052,  -0.005)  ( 0.20,  0.42,  0.24)
175:     bond    (  6.718,   6.276,  -0.511)  (  6.723,   6.283,  -0.510)  ( 0.07,  0.11,  0.05)
175:     angle   (  7.350,   2.161,   1.524)  (  7.352,   2.163,   1.524)  ( 0.02,  0.08,  0.00)
175:     strbnd  ( -5.562,  -3.003,  -0.620)  ( -5.562,  -3.004,  -0.620)  ( 0.00,  0.02,  0.00)
175:     torsion (  0.209,  -0.213,  -0.135)  (  0.209,  -0.213,  -0.134)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.102,  -0.210,  -0.295)  (  0.085,  -0.175,  -0.250)  ( 0.17,  0.74,  1.31)
175:     vdw     ( -9.274,  -5.085,  -0.061)  ( -9.274,  -5.085,  -0.061)  ( 0.00,  0.00,  0.00)
175:     electro (  0.268,  -0.021,   0.047)  (  0.268,  -0.021,   0.047)  ( 0.00,  0.00,  0.00)
175:  2       ( -0.091,  -0.060,  -0.056)  ( -0.090,  -0.044,  -0.030)  ( 0.01,  0.09,  0.14)
175:     bond    (  5.859,  -4.939,   3.180)  (  5.864,  -4.931,   3.182)  ( 0.09,  0.16,  0.04)
175:     angle   ( -5.582,   0.865,  -2.937)  ( -5.580,   0.867,  -2.937)  ( 0.03,  0.13,  0.01)
175:     strbnd  (  3.439,  -2.665,   1.582)  (  3.438,  -2.666,   1.582)  ( 0.02,  0.03,  0.00)
175:     torsion ( -0.645,   0.747,   3.059)  ( -0.645,   0.747,   3.060)  ( 0.01,  0.01,  0.04)
175:     oop     (  0.034,  -0.042,  -0.149)  (  0.029,  -0.036,  -0.126)  ( 0.02,  0.03,  0.35)
175:     vdw     ( -3.802,   4.778,  -4.508)  ( -3.801,   4.778,  -4.508)  ( 0.01,  0.00,  0.00)
175:     electro (  0.606,   1.196,  -0.282)  (  0.606,   1.196,  -0.282)  ( 0.00,  0.00,  0.00)
175:  3       (  0.200,  -0.018,  -0.182)  (  0.192,  -0.006,  -0.027)  ( 0.16,  0.02,  2.83)
175:     bond    (  8.537,   8.504,   0.695)  (  8.543,   8.515,   0.695)  ( 0.06,  0.14,  0.00)
175:     angle   (-28.587,  -3.313,  -5.216)  (-28.584,  -3.311,  -5.216)  ( 0.01,  0.05,  0.00)
175:     strbnd  ( 13.895,   1.569,   1.674)  ( 13.894,   1.567,   1.674)  ( 0.01,  0.12,  0.00)
175:     torsion ( -0.070,   0.291,  -0.883)  ( -0.070,   0.291,  -0.883)  ( 0.00,  0.00,  0.04)
175:     oop     (  0.085,  -0.003,  -0.855)  (  0.070,  -0.003,  -0.700)  ( 0.13,  0.00, 13.23)
175:     vdw     ( -3.152,  -1.167,  -0.567)  ( -3.152,  -1.167,  -0.567)  ( 0.00,  0.00,  0.00)
175:     electro (  9.492,  -5.898,   4.971)  (  9.492,  -5.898,   4.971)  ( 0.00,  0.00,  0.00)
175:  4       (  0.068,   0.192,   0.159)  (  0.107,   0.130,  -0.008)  ( 0.27,  1.19,  2.64)
175:     bond    (  5.784,   6.960,  -1.839)  (  5.788,   6.969,  -1.837)  ( 0.07,  0.13,  0.11)
175:     angle   (  0.982, -10.064,   4.762)  (  0.983, -10.062,   4.762)  ( 0.17,  0.02,  0.00)
175:     strbnd  (  2.113,   6.313,  -2.390)  (  2.113,   6.312,  -2.391)  ( 0.01,  0.02,  0.01)
175:     torsion (  0.211,  -0.053,  -0.431)  (  0.211,  -0.052,  -0.430)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.201,   0.426,   1.012)  ( -0.167,   0.355,   0.843)  ( 0.68,  3.05, 16.69)
175:     vdw     ( -0.575,  -5.329,   2.147)  ( -0.575,  -5.329,   2.147)  ( 0.00,  0.00,  0.00)
175:     electro ( -8.246,   1.938,  -3.102)  ( -8.246,   1.938,  -3.102)  ( 0.00,  0.00,  0.00)
175:  5       ( -0.011,  -0.146,  -0.052)  ( -0.021,  -0.112,   0.008)  ( 0.01,  0.49,  0.32)
175:     bond    (  0.169,   6.053,  -2.652)  (  0.169,   6.060,  -2.651)  ( 0.00,  0.13,  0.06)
175:     angle   ( -0.570,  -0.029,  -0.102)  ( -0.569,  -0.029,  -0.102)  ( 0.04,  0.00,  0.00)
175:     strbnd  ( -0.449,  -0.737,   0.244)  ( -0.449,  -0.737,   0.244)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.351,  -0.798,  -1.802)  (  0.351,  -0.798,  -1.802)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.063,  -0.144,  -0.325)  (  0.052,  -0.118,  -0.265)  ( 0.07,  0.38,  1.92)
175:     vdw     ( -5.042,  -4.784,   2.331)  ( -5.041,  -4.784,   2.331)  ( 0.00,  0.00,  0.00)
175:     electro (  5.466,   0.293,   2.253)  (  5.466,   0.293,   2.253)  ( 0.00,  0.00,  0.00)
175:  6       (  0.048,  -0.085,  -0.062)  (  0.044,  -0.054,   0.004)  ( 0.02,  0.27,  0.41)
175:     bond    ( -0.057,   4.697,  -1.723)  ( -0.052,   4.701,  -1.723)  ( 0.03,  0.10,  0.04)
175:     angle   (  6.722,   9.815,  -3.104)  (  6.724,   9.816,  -3.104)  ( 0.03,  0.02,  0.00)
175:     strbnd  ( -8.096,  -2.087,  -0.459)  ( -8.096,  -2.087,  -0.459)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.110,   0.259,   0.519)  ( -0.110,   0.259,   0.520)  ( 0.00,  0.00,  0.06)
175:     oop     (  0.071,  -0.161,  -0.404)  (  0.060,  -0.136,  -0.340)  ( 0.08,  0.40,  2.58)
175:     vdw     (  1.049, -12.118,   4.931)  (  1.049, -12.118,   4.931)  ( 0.03,  0.00,  0.00)
175:     electro (  0.469,  -0.490,   0.178)  (  0.469,  -0.490,   0.178)  ( 0.00,  0.00,  0.00)
175:  7       (  0.011,   0.004,  -0.004)  (  0.016,   0.016,   0.020)  ( 0.01,  0.00,  0.01)
175:     bond    (  3.349,  -0.633,   0.565)  (  3.354,  -0.629,   0.566)  ( 0.16,  0.29,  0.05)
175:     angle   ( -2.010,  -5.848,   0.374)  ( -2.008,  -5.846,   0.374)  ( 0.11,  0.04,  0.01)
175:     strbnd  ( -0.379,  -1.736,   0.181)  ( -0.380,  -1.737,   0.181)  ( 0.03,  0.03,  0.00)
175:     torsion ( -0.325,   0.273,   1.507)  ( -0.325,   0.273,   1.508)  ( 0.00,  0.00,  0.09)
175:     oop     (  0.017,  -0.034,  -0.134)  (  0.015,  -0.028,  -0.112)  ( 0.00,  0.02,  0.29)
175:     vdw     ( -0.926,   8.721,  -2.733)  ( -0.925,   8.721,  -2.733)  ( 0.03,  0.00,  0.00)
175:     electro (  0.284,  -0.738,   0.237)  (  0.284,  -0.738,   0.237)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.038,  -0.007,  -0.024)  ( -0.033,   0.006,  -0.005)  ( 0.02,  0.01,  0.05)
175:     bond    ( -2.335,  12.424,  -4.470)  ( -2.330,  12.429,  -4.470)  ( 0.23,  0.04,  0.02)
175:     angle   ( -1.627,  -0.904,   0.021)  ( -1.626,  -0.902,   0.021)  ( 0.10,  0.16,  0.00)
175:     strbnd  ( -5.052,  -1.205,  -0.263)  ( -5.052,  -1.206,  -0.263)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.060,   0.134,   0.425)  ( -0.060,   0.134,   0.426)  ( 0.00,  0.00,  0.05)
175:     oop     (  0.013,  -0.035,  -0.105)  (  0.011,  -0.030,  -0.088)  ( 0.00,  0.02,  0.18)
175:     vdw     (  6.553, -10.647,   4.170)  (  6.553, -10.647,   4.170)  ( 0.00,  0.00,  0.00)
175:     electro (  2.471,   0.227,   0.198)  (  2.471,   0.227,   0.198)  ( 0.00,  0.00,  0.00)
175:  9       (  0.068,   0.165,   0.082)  (  0.096,   0.132,  -0.033)  ( 0.19,  0.54,  0.94)
175:     bond    (  7.584,  -6.522,   1.280)  (  7.590,  -6.517,   1.281)  ( 0.08,  0.07,  0.06)
175:     angle   ( -6.868,  -3.074,   6.963)  ( -6.866,  -3.072,   6.964)  ( 0.03,  0.07,  0.01)
175:     strbnd  ( -1.384,   3.697,  -1.135)  ( -1.385,   3.696,  -1.136)  ( 0.05,  0.02,  0.01)
175:     torsion (  0.914,  -1.383,  -5.636)  (  0.914,  -1.383,  -5.635)  ( 0.00,  0.01,  0.01)
175:     oop     ( -0.133,   0.235,   0.708)  ( -0.112,   0.195,   0.591)  ( 0.28,  0.92,  8.29)
175:     vdw     ( -1.168,   4.392,  -3.048)  ( -1.168,   4.393,  -3.048)  ( 0.00,  0.00,  0.00)
175:     electro (  1.123,   2.820,   0.950)  (  1.123,   2.820,   0.950)  ( 0.00,  0.00,  0.00)
175: 10       ( -0.080,  -0.040,  -0.026)  ( -0.075,  -0.026,  -0.009)  ( 0.04,  0.06,  0.05)
175:     bond    (  2.250, -21.552,   7.812)  (  2.255, -21.547,   7.813)  ( 0.22,  0.02,  0.01)
175:     angle   (  0.157,  10.838,  -3.791)  (  0.158,  10.840,  -3.791)  ( 0.02,  0.02,  0.01)
175:     strbnd  ( -4.774,   3.240,  -1.394)  ( -4.774,   3.239,  -1.394)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.412,   1.059,   3.327)  ( -0.412,   1.059,   3.328)  ( 0.00,  0.02,  0.04)
175:     oop     (  0.001,  -0.020,  -0.019)  ( -0.000,  -0.013,  -0.004)  ( 0.00,  0.01,  0.03)
175:     vdw     (  1.632,   4.936,  -5.898)  (  1.632,   4.937,  -5.898)  ( 0.01,  0.01,  0.00)
175:     electro (  1.066,   1.459,  -0.063)  (  1.066,   1.459,  -0.063)  ( 0.00,  0.00,  0.00)
175: 11       (  0.070,  -0.162,  -0.073)  (  0.027,  -0.066,   0.009)  ( 0.31,  1.57,  0.61)
175:     bond    (-16.382,  -5.258,  -0.908)  (-16.377,  -5.253,  -0.907)  ( 0.03,  0.09,  0.07)
175:     angle   (-11.115,   1.090,   2.569)  (-11.112,   1.092,   2.569)  ( 0.02,  0.19,  0.01)
175:     strbnd  ( 22.133,   1.950,   2.757)  ( 22.132,   1.949,   2.757)  ( 0.00,  0.03,  0.00)
175:     torsion ( -0.093,   0.026,  -1.627)  ( -0.093,   0.026,  -1.626)  ( 0.00,  0.00,  0.06)
175:     oop     (  0.396,  -0.643,  -0.208)  (  0.346,  -0.553,  -0.127)  ( 2.00,  5.78,  1.67)
175:     vdw     (  4.671,   2.284,  -2.768)  (  4.672,   2.284,  -2.768)  ( 0.00,  0.00,  0.00)
175:     electro (  0.459,   0.390,   0.111)  (  0.459,   0.390,   0.111)  ( 0.00,  0.00,  0.00)
175: 12       ( -0.002,   0.033,   0.022)  (  0.002,   0.028,  -0.000)  ( 0.00,  0.02,  0.05)
175:     bond    ( -0.083,  -1.551,   0.585)  ( -0.083,  -1.548,   0.586)  ( 0.00,  0.21,  0.03)
175:     angle   ( -2.409,   0.039,  -0.237)  ( -2.408,   0.039,  -0.237)  ( 0.03,  0.00,  0.00)
175:     strbnd  (  0.317,   2.635,  -1.018)  (  0.317,   2.635,  -1.018)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.335,   0.971,   2.518)  ( -0.335,   0.971,   2.518)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.020,   0.060,   0.155)  ( -0.017,   0.051,   0.132)  ( 0.01,  0.05,  0.36)
175:     vdw     (  1.947,  -0.339,  -2.146)  (  1.947,  -0.339,  -2.146)  ( 0.01,  0.00,  0.00)
175:     electro (  0.582,  -1.781,   0.164)  (  0.582,  -1.781,   0.164)  ( 0.00,  0.00,  0.00)
175: 13       ( -0.131,   0.117,   0.103)  ( -0.105,   0.076,  -0.037)  ( 0.34,  0.47,  1.45)
175:     bond    (-10.578,  16.134,  -6.570)  (-10.572,  16.139,  -6.569)  ( 0.06,  0.03,  0.01)
175:     angle   (  3.774,  -9.877,   3.575)  (  3.776,  -9.875,   3.575)  ( 0.06,  0.02,  0.00)
175:     strbnd  (  6.607,   8.014,  -1.786)  (  6.607,   8.014,  -1.786)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.139,  -0.606,  -1.888)  (  0.139,  -0.606,  -1.887)  ( 0.00,  0.01,  0.06)
175:     oop     ( -0.104,   0.267,   0.810)  ( -0.086,   0.220,   0.668)  ( 0.18,  1.25, 11.54)
175:     vdw     (  2.473, -10.532,   5.124)  (  2.473, -10.532,   5.124)  ( 0.01,  0.00,  0.00)
175:     electro ( -2.443,  -3.284,   0.838)  ( -2.443,  -3.284,   0.838)  ( 0.00,  0.00,  0.00)
175: 14       ( -0.003,   0.005,   0.001)  ( -0.002,   0.008,  -0.001)  ( 0.00,  0.00,  0.00)
175:     bond    (  0.027,   1.931,  -0.640)  (  0.027,   1.934,  -0.640)  ( 0.00,  0.18,  0.02)
175:     angle   ( -2.454,  -0.061,  -0.290)  ( -2.454,  -0.061,  -0.290)  ( 0.03,  0.00,  0.00)
175:     strbnd  ( -0.157,  -0.599,   0.177)  ( -0.157,  -0.599,   0.177)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.008,  -0.021,  -0.062)  (  0.008,  -0.021,  -0.062)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.002,   0.005,   0.014)  ( -0.001,   0.004,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.894,  -1.054,   0.744)  (  3.894,  -1.054,   0.744)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.319,  -0.195,   0.058)  ( -1.319,  -0.195,   0.058)  ( 0.00,  0.00,  0.00)
175: 15       (  0.084,  -0.049,   0.001)  (  0.085,  -0.040,   0.023)  ( 0.00,  0.04,  0.00)
175:     bond    (  0.221,  -0.141,   0.077)  (  0.224,  -0.139,   0.077)  ( 0.07,  0.02,  0.00)
175:     angle   (  4.781,   6.809,  -1.605)  (  4.781,   6.810,  -1.605)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -0.896,   1.110,  -0.480)  ( -0.896,   1.110,  -0.480)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.065,  -0.159,  -0.479)  (  0.065,  -0.159,  -0.479)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.019,  -0.046,  -0.139)  (  0.016,  -0.039,  -0.117)  ( 0.01,  0.03,  0.30)
175:     vdw     ( -4.637,  -7.161,   2.713)  ( -4.637,  -7.161,   2.713)  ( 0.00,  0.00,  0.00)
175:     electro (  0.531,  -0.461,  -0.087)  (  0.531,  -0.461,  -0.087)  ( 0.00,  0.00,  0.00)
175: 16       ( -0.036,   0.120,  -0.185)  (  0.001,   0.011,   0.028)  ( 0.13,  1.30,  3.96)
175:     bond    ( 11.932,   3.001,  15.852)  ( 11.937,   3.005,  15.854)  ( 0.04,  0.13,  0.01)
175:     angle   ( 23.478,  14.321,  -5.626)  ( 23.480,  14.322,  -5.625)  ( 0.01,  0.01,  0.02)
175:     strbnd  (-17.338, -10.628,  -0.306)  (-17.339, -10.629,  -0.306)  ( 0.01,  0.01,  0.01)
175:     torsion (  2.457,  -3.717,  -2.036)  (  2.457,  -3.717,  -2.036)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.175,   1.180,  -2.156)  ( -0.144,   1.066,  -1.945)  ( 0.54,  9.63,  9.80)
175:     vdw     ( -3.584,  -3.576,   0.274)  ( -3.584,  -3.576,   0.274)  ( 0.00,  0.00,  0.00)
175:     electro (-16.806,  -0.461,  -6.188)  (-16.806,  -0.461,  -6.188)  ( 0.00,  0.00,  0.00)
175: 17       ( -0.042,  -0.053,   0.059)  ( -0.045,  -0.033,   0.101)  ( 0.01,  0.11,  0.25)
175:     bond    ( -1.611,  -0.017,   3.957)  ( -1.609,  -0.012,   3.962)  ( 0.12,  0.01,  0.12)
175:     angle   (  6.180,   1.067,  -5.100)  (  6.182,   1.069,  -5.098)  ( 0.03,  0.17,  0.04)
175:     strbnd  (  0.100,  -7.392,   3.328)  (  0.099,  -7.392,   3.327)  ( 0.00,  0.01,  0.03)
175:     torsion (  0.098,  -0.377,   0.788)  (  0.098,  -0.377,   0.788)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.041,  -0.083,  -0.211)  (  0.034,  -0.069,  -0.175)  ( 0.03,  0.12,  0.75)
175:     vdw     ( -4.964,   6.311,  -2.568)  ( -4.963,   6.311,  -2.568)  ( 0.00,  0.00,  0.00)
175:     electro (  0.114,   0.437,  -0.136)  (  0.114,   0.437,  -0.136)  ( 0.00,  0.00,  0.00)
175: 18       (  0.022,  -0.013,   0.018)  (  0.025,  -0.012,   0.017)  ( 0.01,  0.00,  0.00)
175:     bond    (  2.427,  -1.578,   1.180)  (  2.429,  -1.577,   1.181)  ( 0.09,  0.06,  0.04)
175:     angle   (  0.938,   1.300,  -0.193)  (  0.938,   1.300,  -0.193)  ( 0.02,  0.03,  0.00)
175:     strbnd  (  0.253,   0.443,  -0.086)  (  0.253,   0.443,  -0.086)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.194,   0.249,   0.730)  ( -0.194,   0.249,   0.731)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.004,   0.005,   0.016)  ( -0.004,   0.005,   0.014)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.726,   0.545,  -1.869)  ( -0.726,   0.545,  -1.869)  ( 0.01,  0.01,  0.00)
175:     electro ( -2.672,  -0.977,   0.240)  ( -2.672,  -0.977,   0.240)  ( 0.00,  0.00,  0.00)
175: 19       (  0.012,  -0.001,   0.074)  (  0.011,   0.052,   0.016)  ( 0.00,  0.01,  0.42)
175:     bond    ( 14.557,  -7.075, -16.796)  ( 14.561,  -7.071, -16.792)  ( 0.03,  0.06,  0.03)
175:     angle   ( -6.287,   1.336,   9.984)  ( -6.284,   1.338,   9.986)  ( 0.04,  0.15,  0.02)
175:     strbnd  ( -1.105,  -2.672,   1.853)  ( -1.106,  -2.672,   1.852)  ( 0.07,  0.04,  0.04)
175:     torsion ( -2.492,   2.882,  -3.676)  ( -2.492,   2.882,  -3.676)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.033,  -0.539,   0.714)  (  0.027,  -0.492,   0.651)  ( 0.02,  2.58,  4.51)
175:     vdw     ( -0.883,   6.505,   5.249)  ( -0.883,   6.505,   5.250)  ( 0.01,  0.00,  0.00)
175:     electro ( -3.811,  -0.439,   2.744)  ( -3.811,  -0.439,   2.744)  ( 0.00,  0.00,  0.00)
175: 20       ( -0.013,  -0.015,   0.097)  (  0.002,   0.007,  -0.001)  ( 0.02,  0.03,  0.95)
175:     bond    ( -3.175,  21.247,  -4.289)  ( -3.171,  21.251,  -4.285)  ( 0.12,  0.02,  0.11)
175:     angle   ( -1.211, -12.477,   2.194)  ( -1.209, -12.475,   2.196)  ( 0.17,  0.02,  0.08)
175:     strbnd  ( -3.415,  -1.229,   2.715)  ( -3.416,  -1.230,   2.715)  ( 0.04,  0.07,  0.01)
175:     torsion ( -0.125,   0.194,   3.424)  ( -0.125,   0.195,   3.424)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.155,  -0.246,   0.892)  ( -0.144,  -0.229,   0.787)  ( 0.17,  0.40,  9.32)
175:     vdw     (  9.608,  -0.387,  -5.167)  (  9.608,  -0.387,  -5.167)  ( 0.00,  0.01,  0.00)
175:     electro ( -1.539,  -7.118,   0.328)  ( -1.539,  -7.118,   0.328)  ( 0.00,  0.00,  0.00)
175: 21       ( -0.002,  -0.008,  -0.022)  (  0.000,  -0.007,  -0.021)  ( 0.00,  0.00,  0.00)
175:     bond    (  1.613,  -1.085,   0.142)  (  1.615,  -1.084,   0.142)  ( 0.14,  0.10,  0.00)
175:     angle   ( -3.259,  -5.157,  -2.297)  ( -3.259,  -5.157,  -2.296)  ( 0.01,  0.01,  0.02)
175:     strbnd  ( -0.614,   0.250,  -1.435)  ( -0.614,   0.250,  -1.435)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.085,   0.141,   0.107)  (  0.085,   0.141,   0.107)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.173,   5.843,   3.461)  (  2.173,   5.843,   3.461)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       (  0.001,   0.003,  -0.029)  (  0.002,   0.004,  -0.025)  ( 0.00,  0.00,  0.01)
175:     bond    ( -0.285,   1.036,  -3.315)  ( -0.285,   1.036,  -3.312)  ( 0.00,  0.03,  0.09)
175:     angle   (  0.181,  -1.068,  -0.350)  (  0.182,  -1.067,  -0.350)  ( 0.01,  0.05,  0.00)
175:     strbnd  (  0.973,  -1.118,   0.103)  (  0.973,  -1.118,   0.103)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.351,  -0.744,  -0.263)  (  0.351,  -0.744,  -0.263)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.220,   1.896,   3.796)  ( -1.220,   1.896,   3.796)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       (  0.003,  -0.104,  -0.010)  (  0.007,  -0.098,  -0.004)  ( 0.00,  0.06,  0.01)
175:     bond    ( -3.127, -17.812,   3.460)  ( -3.123, -17.808,   3.465)  ( 0.13,  0.02,  0.13)
175:     angle   (  0.202,   7.188,  -7.171)  (  0.204,   7.190,  -7.169)  ( 0.04,  0.03,  0.02)
175:     strbnd  (  3.369,  -1.380,  -2.585)  (  3.367,  -1.380,  -2.585)  ( 0.04,  0.05,  0.01)
175:     torsion ( -0.244,   1.380,   2.916)  ( -0.244,   1.381,   2.917)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.952,   7.510,   2.573)  ( -0.952,   7.510,   2.573)  ( 0.00,  0.00,  0.00)
175:     electro (  0.755,   3.009,   0.796)  (  0.755,   3.009,   0.796)  ( 0.00,  0.00,  0.00)
175: 24       (  0.007,  -0.018,  -0.003)  (  0.008,  -0.016,  -0.001)  ( 0.00,  0.00,  0.00)
175:     bond    (  0.060,   1.792,   1.597)  (  0.060,   1.794,   1.599)  ( 0.00,  0.10,  0.09)
175:     angle   ( -3.575,  -1.364,   1.663)  ( -3.575,  -1.363,   1.664)  ( 0.02,  0.02,  0.02)
175:     strbnd  ( -0.521,   0.527,  -1.117)  ( -0.521,   0.527,  -1.117)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.187,  -0.049,   0.048)  (  0.187,  -0.049,   0.048)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.856,  -0.925,  -2.194)  (  3.857,  -0.925,  -2.194)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       (  0.066,  -0.058,  -0.075)  (  0.072,  -0.052,  -0.069)  ( 0.04,  0.03,  0.04)
175:     bond    (-13.633,   0.941,  12.416)  (-13.629,   0.945,  12.421)  ( 0.03,  0.39,  0.04)
175:     angle   (  2.350,   2.416,  -9.408)  (  2.353,   2.418,  -9.406)  ( 0.09,  0.08,  0.02)
175:     strbnd  (  0.055,   4.163,  -0.501)  (  0.054,   4.162,  -0.502)  ( 0.00,  0.03,  0.04)
175:     torsion (  2.065,  -2.248,   1.183)  (  2.065,  -2.248,   1.183)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.223,  -3.991,  -2.667)  (  6.223,  -3.991,  -2.667)  ( 0.00,  0.00,  0.00)
175:     electro (  3.006,  -1.338,  -1.097)  (  3.006,  -1.338,  -1.097)  ( 0.00,  0.00,  0.00)
175: 26       ( -0.004,  -0.009,   0.017)  ( -0.004,  -0.008,   0.020)  ( 0.00,  0.00,  0.01)
175:     bond    ( -0.508,   1.114,  -2.671)  ( -0.508,   1.115,  -2.668)  ( 0.01,  0.04,  0.10)
175:     angle   ( -3.386,  -1.138,   0.169)  ( -3.386,  -1.138,   0.170)  ( 0.02,  0.04,  0.00)
175:     strbnd  ( -0.285,   1.027,   0.757)  ( -0.285,   1.027,   0.757)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.469,   0.506,   0.301)  ( -0.469,   0.506,   0.301)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.645,  -1.519,   1.461)  (  4.645,  -1.518,   1.461)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 27       ( -0.053,   0.087,   0.044)  ( -0.047,   0.093,   0.047)  ( 0.03,  0.05,  0.01)
175:     bond    (-15.148,  -5.941, -10.039)  (-15.143,  -5.937, -10.037)  ( 0.03,  0.08,  0.02)
175:     angle   ( -5.200,  -8.059,   8.744)  ( -5.198,  -8.058,   8.745)  ( 0.03,  0.02,  0.02)
175:     strbnd  ( -1.543,  -1.202,   1.549)  ( -1.544,  -1.203,   1.548)  ( 0.04,  0.04,  0.03)
175:     torsion ( -0.831,   0.963,  -3.227)  ( -0.831,   0.963,  -3.226)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.577,   4.313,  -0.037)  (  6.577,   4.313,  -0.037)  ( 0.00,  0.00,  0.00)
175:     electro ( 16.093,  10.014,   3.054)  ( 16.093,  10.014,   3.054)  ( 0.00,  0.00,  0.00)
175: 28       (  0.001,   0.014,  -0.042)  (  0.002,   0.015,  -0.039)  ( 0.00,  0.00,  0.01)
175:     bond    (  0.463,  -1.202,   2.694)  (  0.464,  -1.202,   2.697)  ( 0.00,  0.05,  0.10)
175:     angle   (  0.035,  -0.321,  -0.149)  (  0.036,  -0.320,  -0.149)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -0.222,  -0.567,  -1.132)  ( -0.222,  -0.567,  -1.132)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.438,  -1.586,  -0.782)  (  0.438,  -1.586,  -0.782)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.714,   3.690,  -0.674)  ( -0.714,   3.690,  -0.674)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 29       (  0.008,   0.030,   0.008)  (  0.008,   0.032,   0.009)  ( 0.00,  0.01,  0.00)
175:     bond    ( -0.087,  -1.217,  -1.051)  ( -0.087,  -1.215,  -1.050)  ( 0.00,  0.16,  0.14)
175:     angle   ( -0.252,   0.112,  -0.110)  ( -0.251,   0.113,  -0.110)  ( 0.02,  0.00,  0.00)
175:     strbnd  (  0.115,   0.045,   1.331)  (  0.115,   0.045,   1.331)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.210,   0.236,  -0.255)  ( -0.210,   0.236,  -0.255)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.441,   0.855,   0.093)  (  0.441,   0.855,   0.093)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       ( -0.057,   0.017,   0.002)  ( -0.054,   0.018,   0.002)  ( 0.02,  0.00,  0.00)
175:     bond    ( -1.435,   0.851,  -0.093)  ( -1.433,   0.852,  -0.093)  ( 0.17,  0.08,  0.00)
175:     angle   ( -0.122,  -0.244,  -0.343)  ( -0.122,  -0.243,  -0.342)  ( 0.00,  0.01,  0.02)
175:     strbnd  (  0.598,  -0.582,   1.034)  (  0.598,  -0.582,   1.034)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.027,  -0.078,  -0.298)  ( -0.027,  -0.078,  -0.297)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.930,   0.070,  -0.299)  (  0.930,   0.070,  -0.299)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 31       (  0.005,  -0.020,   0.028)  (  0.006,  -0.019,   0.031)  ( 0.00,  0.00,  0.01)
175:     bond    (  0.312,  -0.902,   2.849)  (  0.312,  -0.902,   2.852)  ( 0.00,  0.03,  0.11)
175:     angle   ( -0.502,   0.107,   0.089)  ( -0.501,   0.107,   0.089)  ( 0.03,  0.01,  0.00)
175:     strbnd  ( -0.940,   0.677,  -0.469)  ( -0.940,   0.677,  -0.469)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.235,   1.160,   0.502)  ( -1.235,   1.160,   0.502)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.370,  -1.062,  -2.942)  (  2.370,  -1.062,  -2.942)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 32       (  0.003,  -0.016,  -0.010)  (  0.005,  -0.014,  -0.009)  ( 0.00,  0.00,  0.00)
175:     bond    ( -0.021,  -0.018,   0.009)  ( -0.019,  -0.016,   0.009)  ( 0.00,  0.00,  0.00)
175:     angle   ( -0.160,   0.222,   0.062)  ( -0.160,   0.222,   0.062)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -0.521,   0.030,  -0.937)  ( -0.521,   0.030,  -0.938)  ( 0.00,  0.00,  0.01)
175:     torsion (  0.592,  -0.069,   1.057)  (  0.592,  -0.069,   1.057)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.902,   0.369,   0.423)  (  0.902,   0.369,   0.423)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.789,  -0.550,  -0.623)  ( -0.789,  -0.550,  -0.623)  ( 0.00,  0.00,  0.00)
175: 33       ( -0.030,  -0.053,   0.105)  ( -0.019,  -0.047,   0.022)  ( 0.03,  0.03,  0.87)
175:     bond    ( -1.616,  -9.765,   0.189)  ( -1.616,  -9.756,   0.189)  ( 0.01,  0.10,  0.00)
175:     angle   ( 20.636,  -3.367,   2.623)  ( 20.637,  -3.367,   2.623)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  0.680,   2.049,   0.006)  (  0.680,   2.049,   0.006)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.339,   0.113,   2.931)  ( -0.339,   0.113,   2.931)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.045,   0.015,   0.377)  ( -0.035,   0.012,   0.294)  ( 0.04,  0.00,  3.13)
175:     vdw     ( -3.314,  -1.163,  -1.055)  ( -3.314,  -1.163,  -1.055)  ( 0.00,  0.00,  0.00)
175:     electro (-16.031,  12.066,  -4.968)  (-16.031,  12.066,  -4.968)  ( 0.00,  0.00,  0.00)
175: 34       (  0.021,   0.161,   0.031)  (  0.031,   0.164,  -0.005)  ( 0.02,  0.05,  0.11)
175:     bond    ( -3.927,   2.786,  -0.594)  ( -3.921,   2.789,  -0.594)  ( 0.15,  0.13,  0.00)
175:     angle   ( 16.132,  -2.853,   2.371)  ( 16.132,  -2.852,   2.372)  ( 0.00,  0.05,  0.01)
175:     strbnd  ( -0.845,   3.072,  -0.258)  ( -0.845,   3.072,  -0.258)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.144,  -0.049,  -1.174)  (  0.144,  -0.049,  -1.173)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.036,   0.013,   0.294)  ( -0.031,   0.011,   0.258)  ( 0.02,  0.00,  1.06)
175:     vdw     (-11.558,  -6.965,   1.339)  (-11.558,  -6.965,   1.339)  ( 0.00,  0.00,  0.00)
175:     electro (  0.110,   4.158,  -1.948)  (  0.110,   4.158,  -1.948)  ( 0.00,  0.00,  0.00)
175: 35       ( -0.101,  -0.084,  -0.013)  ( -0.097,  -0.081,  -0.013)  ( 0.04,  0.02,  0.00)
175:     bond    (  0.234,   0.187,   0.015)  (  0.238,   0.189,   0.015)  ( 0.08,  0.04,  0.00)
175:     angle   ( -9.135,  11.640,  -1.684)  ( -9.135,  11.640,  -1.684)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -1.252,  -0.773,  -0.092)  ( -1.252,  -0.773,  -0.092)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.050,  -0.027,  -0.452)  (  0.050,  -0.027,  -0.452)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.204,   0.155,  -0.034)  ( -0.204,   0.155,  -0.034)  ( 0.00,  0.00,  0.00)
175:     electro ( 10.207, -11.265,   2.235)  ( 10.207, -11.265,   2.235)  ( 0.00,  0.00,  0.00)
175: 36       (  0.023,  -0.029,  -0.012)  (  0.030,  -0.025,  -0.007)  ( 0.01,  0.01,  0.01)
175:     bond    (  1.340,  -4.011,  -2.272)  (  1.346,  -4.008,  -2.268)  ( 0.45,  0.07,  0.18)
175:     angle   ( -1.289,   0.664,   1.982)  ( -1.288,   0.666,   1.984)  ( 0.08,  0.10,  0.10)
175:     strbnd  (  0.232,  -0.792,   0.487)  (  0.231,  -0.793,   0.486)  ( 0.02,  0.03,  0.03)
175:     torsion ( -1.155,   0.195,  -0.282)  ( -1.155,   0.195,  -0.282)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.717,   5.471,   0.093)  (  0.717,   5.471,   0.093)  ( 0.00,  0.00,  0.00)
175:     electro (  0.179,  -1.556,  -0.020)  (  0.179,  -1.556,  -0.020)  ( 0.00,  0.00,  0.00)
175: 37       (  0.029,   0.043,  -0.047)  (  0.034,   0.047,  -0.041)  ( 0.01,  0.02,  0.03)
175:     bond    (  1.435,  -3.700,  -1.718)  (  1.438,  -3.696,  -1.713)  ( 0.27,  0.10,  0.31)
175:     angle   (  0.328,   0.545,   0.556)  (  0.329,   0.546,   0.558)  ( 0.03,  0.08,  0.12)
175:     strbnd  ( -0.069,  -0.300,   0.440)  ( -0.069,  -0.301,   0.439)  ( 0.00,  0.01,  0.04)
175:     torsion (  0.956,   0.601,   0.479)  (  0.956,   0.601,   0.479)  ( 0.01,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.832,   4.136,   0.355)  ( -2.832,   4.136,   0.355)  ( 0.00,  0.00,  0.00)
175:     electro (  0.210,  -1.238,  -0.159)  (  0.210,  -1.238,  -0.159)  ( 0.00,  0.00,  0.00)
175: 38       ( -0.013,   0.017,  -0.005)  ( -0.012,   0.019,  -0.003)  ( 0.00,  0.00,  0.00)
175:     bond    (  0.435,  -0.767,   0.899)  (  0.435,  -0.766,   0.901)  ( 0.02,  0.11,  0.17)
175:     angle   (  0.496,   0.229,  -0.045)  (  0.496,   0.229,  -0.045)  ( 0.03,  0.00,  0.00)
175:     strbnd  ( -0.157,   0.213,  -0.446)  ( -0.157,   0.213,  -0.446)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.563,  -0.012,  -0.282)  (  0.563,  -0.012,  -0.283)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.724,   0.200,   0.015)  ( -0.724,   0.200,   0.015)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.625,   0.154,  -0.145)  ( -0.625,   0.154,  -0.145)  ( 0.00,  0.00,  0.00)
175: 39       ( -0.005,  -0.008,   0.012)  ( -0.003,  -0.007,   0.014)  ( 0.00,  0.00,  0.00)
175:     bond    (  0.863,   0.325,  -0.866)  (  0.864,   0.325,  -0.865)  ( 0.15,  0.01,  0.15)
175:     angle   (  0.432,  -1.789,  -0.241)  (  0.433,  -1.789,  -0.241)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -0.148,  -0.179,   0.111)  ( -0.148,  -0.179,   0.111)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.500,  -0.248,   0.406)  (  0.500,  -0.248,   0.406)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.310,   2.013,   0.436)  ( -1.310,   2.013,   0.436)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.342,  -0.130,   0.167)  ( -0.342,  -0.130,   0.167)  ( 0.00,  0.00,  0.00)
175: 40       ( -0.029,  -0.039,   0.034)  ( -0.028,  -0.036,   0.035)  ( 0.00,  0.01,  0.00)
175:     bond    ( -0.592,  -0.813,   0.455)  ( -0.591,  -0.811,   0.456)  ( 0.06,  0.16,  0.03)
175:     angle   ( -0.349,   0.064,  -0.339)  ( -0.348,   0.064,  -0.339)  ( 0.01,  0.00,  0.02)
175:     strbnd  (  0.254,   0.177,  -0.194)  (  0.254,   0.177,  -0.194)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.231,  -0.135,  -0.540)  ( -0.231,  -0.135,  -0.540)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.504,   0.376,   0.413)  (  0.504,   0.376,   0.413)  ( 0.00,  0.00,  0.00)
175:     electro (  0.385,   0.292,   0.238)  (  0.385,   0.292,   0.238)  ( 0.00,  0.00,  0.00)
175: 41       (  0.005,  -0.012,   0.021)  (  0.005,  -0.011,   0.024)  ( 0.00,  0.00,  0.01)
175:     bond    ( -0.265,   0.213,  -1.387)  ( -0.265,   0.213,  -1.384)  ( 0.00,  0.00,  0.25)
175:     angle   ( -0.002,  -0.794,  -0.122)  ( -0.001,  -0.793,  -0.122)  ( 0.00,  0.04,  0.00)
175:     strbnd  (  0.104,  -0.149,   0.254)  (  0.104,  -0.149,   0.254)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.534,  -0.473,   0.029)  ( -0.534,  -0.473,   0.029)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.465,   1.537,   0.914)  (  0.465,   1.537,   0.914)  ( 0.00,  0.00,  0.00)
175:     electro (  0.237,  -0.346,   0.332)  (  0.237,  -0.346,   0.332)  ( 0.00,  0.00,  0.00)
175: 42       (  0.013,   0.008,  -0.041)  (  0.014,   0.009,  -0.038)  ( 0.00,  0.00,  0.01)
175:     bond    ( -1.424,  -0.121,   4.422)  ( -1.424,  -0.120,   4.425)  ( 0.03,  0.00,  0.07)
175:     angle   (  0.750,  -1.072,   0.212)  (  0.750,  -1.071,   0.212)  ( 0.02,  0.08,  0.00)
175:     strbnd  (  0.500,  -0.190,  -1.471)  (  0.500,  -0.190,  -1.471)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.246,   0.662,  -0.061)  ( -0.246,   0.662,  -0.061)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.074,   0.895,  -1.822)  ( -0.074,   0.895,  -1.822)  ( 0.00,  0.00,  0.00)
175:     electro (  0.507,  -0.167,  -1.321)  (  0.507,  -0.167,  -1.321)  ( 0.00,  0.00,  0.00)
175: ok 24 # gradients 
175: ok 25 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       (  0.094,  -0.054,   0.252)  (  0.101,  -0.049,   0.257)  ( 0.07,  0.03,  0.12)
175:     bond    (  0.405,   3.441,   0.242)  (  0.412,   3.445,   0.242)  ( 0.28,  0.13,  0.00)
175:     angle   ( -0.409,   0.650,  -0.195)  ( -0.408,   0.652,  -0.195)  ( 0.06,  0.11,  0.00)
175:     strbnd  ( -0.322,  -4.041,  -0.254)  ( -0.322,  -4.042,  -0.254)  ( 0.01,  0.03,  0.00)
175:     torsion ( -0.032,  -0.018,   0.320)  ( -0.032,  -0.018,   0.321)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.002,   0.001,  -0.014)  (  0.001,   0.001,  -0.011)  ( 0.00,  0.00,  0.01)
175:     vdw     ( -0.047,  -0.020,  -0.019)  ( -0.047,  -0.020,  -0.019)  ( 0.00,  0.00,  0.00)
175:     electro (  0.497,  -0.068,   0.172)  (  0.497,  -0.068,   0.172)  ( 0.00,  0.00,  0.00)
175:  2       ( -0.202,  -0.384,   0.053)  ( -0.198,  -0.377,   0.070)  ( 0.09,  0.28,  0.09)
175:     bond    (  3.541,  -2.137,   0.264)  (  3.546,  -2.131,   0.265)  ( 0.15,  0.30,  0.00)
175:     angle   (  1.746,   1.275,   0.298)  (  1.748,   1.277,   0.298)  ( 0.10,  0.14,  0.00)
175:     strbnd  ( -2.090,   1.285,  -0.146)  ( -2.091,   1.285,  -0.146)  ( 0.05,  0.01,  0.00)
175:     torsion (  0.033,   0.016,  -0.297)  (  0.034,   0.016,  -0.296)  ( 0.00,  0.00,  0.04)
175:     oop     (  0.010,   0.005,  -0.088)  (  0.009,   0.004,  -0.072)  ( 0.00,  0.00,  0.14)
175:     vdw     ( -3.041,  -0.539,  -0.132)  ( -3.041,  -0.539,  -0.132)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.403,  -0.288,   0.154)  ( -0.403,  -0.288,   0.154)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.110,   0.062,   0.058)  ( -0.093,   0.078,  -0.064)  ( 0.18,  0.10,  0.70)
175:     bond    ( 10.808,   8.532,   1.851)  ( 10.812,   8.538,   1.851)  ( 0.04,  0.07,  0.01)
175:     angle   ( -1.280, -12.576,  -1.628)  ( -1.278, -12.574,  -1.628)  ( 0.16,  0.02,  0.03)
175:     strbnd  ( -2.662,  -2.231,  -0.989)  ( -2.662,  -2.232,  -0.989)  ( 0.02,  0.03,  0.01)
175:     torsion ( -0.153,   0.061,   1.120)  ( -0.153,   0.061,   1.121)  ( 0.00,  0.00,  0.09)
175:     oop     ( -0.073,  -0.051,   0.782)  ( -0.062,  -0.043,   0.659)  ( 0.08,  0.04,  9.60)
175:     vdw     ( -8.513,   7.070,  -1.049)  ( -8.513,   7.070,  -1.049)  ( 0.00,  0.00,  0.00)
175:     electro (  1.764,  -0.743,  -0.030)  (  1.764,  -0.743,  -0.030)  ( 0.00,  0.00,  0.00)
175:  4       ( -0.088,  -0.102,  -0.382)  ( -0.110,  -0.122,  -0.055)  ( 0.20,  0.20, 12.48)
175:     bond    ( 20.270,  -4.350,   1.475)  ( 20.275,  -4.343,   1.476)  ( 0.02,  0.15,  0.01)
175:     angle   ( 12.458,  12.739,   3.115)  ( 12.460,  12.741,   3.115)  ( 0.02,  0.01,  0.01)
175:     strbnd  (-17.883,  -3.513,  -1.809)  (-17.884,  -3.514,  -1.809)  ( 0.01,  0.03,  0.00)
175:     torsion (  0.036,   0.065,  -1.684)  (  0.036,   0.065,  -1.683)  ( 0.00,  0.00,  0.04)
175:     oop     (  0.171,   0.149,  -1.871)  (  0.143,   0.122,  -1.545)  ( 0.48,  0.40, 17.39)
175:     vdw     (-12.241,  -4.949,   0.142)  (-12.241,  -4.949,   0.142)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.899,  -0.244,   0.249)  ( -2.899,  -0.244,   0.249)  ( 0.00,  0.00,  0.00)
175:  5       ( -0.068,  -0.017,  -0.125)  ( -0.065,  -0.011,  -0.110)  ( 0.02,  0.01,  0.19)
175:     bond    (  1.518, -21.327,  -9.249)  (  1.522, -21.323,  -9.244)  ( 0.25,  0.02,  0.05)
175:     angle   ( -8.489,  14.472,   7.087)  ( -8.487,  14.475,   7.088)  ( 0.02,  0.02,  0.02)
175:     strbnd  ( 11.557,   1.653,   2.302)  ( 11.556,   1.652,   2.302)  ( 0.01,  0.05,  0.02)
175:     torsion ( -0.182,   0.061,  -1.411)  ( -0.182,   0.061,  -1.410)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.005,   0.003,  -0.040)  (  0.004,   0.002,  -0.031)  ( 0.00,  0.00,  0.04)
175:     vdw     ( -7.969,   3.574,   1.404)  ( -7.968,   3.574,   1.404)  ( 0.00,  0.00,  0.00)
175:     electro (  3.491,   1.548,  -0.219)  (  3.491,   1.548,  -0.219)  ( 0.00,  0.00,  0.00)
175:  6       (  0.024,  -0.167,   0.098)  (  0.036,  -0.156,   0.018)  ( 0.03,  0.18,  0.79)
175:     bond    ( -9.999,  -4.566,  -1.383)  ( -9.996,  -4.563,  -1.383)  ( 0.03,  0.06,  0.00)
175:     angle   (  0.723,  -4.226,  -0.076)  (  0.723,  -4.225,  -0.077)  ( 0.04,  0.03,  0.00)
175:     strbnd  ( 12.551,   6.889,   1.807)  ( 12.551,   6.889,   1.807)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.080,   0.020,  -0.668)  (  0.080,   0.020,  -0.667)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.057,  -0.045,   0.532)  ( -0.048,  -0.038,   0.452)  ( 0.05,  0.03,  4.28)
175:     vdw     ( -3.283,   1.455,  -0.244)  ( -3.283,   1.455,  -0.244)  ( 0.00,  0.00,  0.00)
175:     electro (  0.009,   0.307,   0.130)  (  0.009,   0.307,   0.130)  ( 0.00,  0.00,  0.00)
175:  7       ( -0.002,   0.041,  -0.083)  (  0.003,   0.047,  -0.081)  ( 0.00,  0.02,  0.02)
175:     bond    ( 10.203,   5.616,  25.277)  ( 10.207,   5.620,  25.278)  ( 0.04,  0.07,  0.00)
175:     angle   (-14.427,   4.571, -29.699)  (-14.425,   4.572, -29.697)  ( 0.01,  0.03,  0.01)
175:     strbnd  (  1.147,  -1.228,  -0.703)  (  1.146,  -1.229,  -0.703)  ( 0.05,  0.04,  0.03)
175:     torsion (  1.193,  -0.605,  -0.282)  (  1.193,  -0.605,  -0.282)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.912,   0.367,   4.636)  (  5.912,   0.367,   4.636)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.030,  -8.679,   0.687)  ( -4.030,  -8.679,   0.687)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.124,  -0.019,  -0.296)  ( -0.123,  -0.017,  -0.295)  ( 0.01,  0.01,  0.03)
175:     bond    ( -0.019,  -0.836,   0.410)  ( -0.019,  -0.833,   0.411)  ( 0.00,  0.23,  0.03)
175:     angle   (  4.770,  -0.609,  -1.012)  (  4.771,  -0.609,  -1.012)  ( 0.01,  0.01,  0.04)
175:     strbnd  (  0.249,   0.128,  -1.740)  (  0.249,   0.128,  -1.740)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.173,  -0.083,  -0.176)  ( -0.173,  -0.083,  -0.176)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.951,   1.380,   2.222)  ( -4.951,   1.380,   2.222)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       ( -0.069,   0.131,  -0.224)  ( -0.068,   0.132,  -0.221)  ( 0.01,  0.01,  0.07)
175:     bond    ( -0.548,  -0.489,  -3.470)  ( -0.548,  -0.489,  -3.467)  ( 0.01,  0.00,  0.09)
175:     angle   (  2.634,  -1.083,  -0.264)  (  2.635,  -1.082,  -0.264)  ( 0.02,  0.05,  0.00)
175:     strbnd  (  0.419,  -1.396,   0.765)  (  0.419,  -1.396,   0.765)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.167,  -0.223,   0.058)  ( -0.167,  -0.223,   0.058)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.406,   3.323,   2.687)  ( -2.406,   3.323,   2.687)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 10       ( -0.074,  -0.055,  -0.182)  ( -0.069,  -0.050,  -0.177)  ( 0.04,  0.03,  0.10)
175:     bond    (-15.381,  12.089, -12.058)  (-15.377,  12.093, -12.053)  ( 0.02,  0.04,  0.04)
175:     angle   (  8.484, -11.406,  11.903)  (  8.487, -11.404,  11.904)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  4.060,   9.673,   0.443)  (  4.059,   9.672,   0.443)  ( 0.02,  0.01,  0.02)
175:     torsion (  1.330,  -0.770,  -1.490)  (  1.330,  -0.769,  -1.490)  ( 0.01,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.699, -11.336,   1.328)  (  1.699, -11.336,   1.328)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.266,   1.694,  -0.308)  ( -0.266,   1.694,  -0.308)  ( 0.00,  0.00,  0.00)
175: 11       (  0.037,  -0.007,  -0.105)  (  0.053,   0.011,  -0.240)  ( 0.06,  0.01,  1.41)
175:     bond    (  9.639,  15.878,   4.037)  (  9.642,  15.883,   4.041)  ( 0.04,  0.03,  0.11)
175:     angle   ( -9.172,  -2.161,  -6.458)  ( -9.170,  -2.158,  -6.456)  ( 0.02,  0.11,  0.02)
175:     strbnd  (  1.149,  -6.264,  -0.982)  (  1.147,  -6.265,  -0.982)  ( 0.10,  0.02,  0.04)
175:     torsion ( -0.350,  -0.442,   3.225)  ( -0.350,  -0.442,   3.225)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.054,  -0.059,   0.659)  ( -0.042,  -0.046,   0.518)  ( 0.06,  0.07,  9.28)
175:     vdw     ( -0.242,  -4.058,  -0.450)  ( -0.242,  -4.058,  -0.450)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.932,  -2.902,  -0.135)  ( -0.932,  -2.902,  -0.135)  ( 0.00,  0.00,  0.00)
175: 12       (  0.007,   0.058,  -0.013)  (  0.009,   0.059,  -0.013)  ( 0.00,  0.01,  0.00)
175:     bond    ( -1.070,   0.929,   0.454)  ( -1.069,   0.931,   0.454)  ( 0.16,  0.12,  0.01)
175:     angle   (  4.468,   5.608,  -0.977)  (  4.468,   5.608,  -0.977)  ( 0.01,  0.01,  0.05)
175:     strbnd  (  0.788,  -0.295,  -1.704)  (  0.788,  -0.295,  -1.704)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.551,  -1.028,   0.811)  ( -0.551,  -1.028,   0.811)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.628,  -5.157,   1.404)  ( -3.628,  -5.157,   1.404)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       ( -0.120,   0.039,  -0.037)  ( -0.119,   0.040,  -0.033)  ( 0.01,  0.00,  0.01)
175:     bond    ( -0.328,  -0.292,  -3.901)  ( -0.328,  -0.292,  -3.897)  ( 0.00,  0.00,  0.08)
175:     angle   ( -0.446,   1.585,  -0.081)  ( -0.446,   1.585,  -0.081)  ( 0.02,  0.04,  0.00)
175:     strbnd  ( -0.722,   1.212,   0.784)  ( -0.722,   1.212,   0.784)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.435,   1.492,  -0.075)  ( -0.435,   1.492,  -0.075)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.812,  -3.957,   3.236)  (  1.812,  -3.957,   3.236)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 14       (  0.067,   0.147,  -0.288)  (  0.068,   0.148,  -0.285)  ( 0.00,  0.01,  0.08)
175:     bond    ( -0.175,   1.062,   2.357)  ( -0.175,   1.063,   2.360)  ( 0.00,  0.05,  0.12)
175:     angle   ( -0.080,  -0.961,   0.427)  ( -0.080,  -0.961,   0.427)  ( 0.00,  0.04,  0.00)
175:     strbnd  (  0.554,   0.475,  -1.094)  (  0.554,   0.475,  -1.094)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.550,   1.444,  -0.691)  ( -0.550,   1.444,  -0.691)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.318,  -1.873,  -1.287)  (  0.318,  -1.873,  -1.287)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 15       (  0.046,  -0.135,  -0.333)  (  0.047,  -0.133,  -0.331)  ( 0.00,  0.03,  0.06)
175:     bond    (  0.373,   1.480,  -1.330)  (  0.373,   1.482,  -1.328)  ( 0.00,  0.12,  0.11)
175:     angle   ( -2.004,   0.579,   0.084)  ( -2.004,   0.580,   0.085)  ( 0.03,  0.01,  0.00)
175:     strbnd  (  0.258,   0.339,   0.948)  (  0.258,   0.339,   0.948)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.462,  -0.620,  -0.562)  (  0.462,  -0.620,  -0.562)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.958,  -1.914,   0.528)  (  0.958,  -1.914,   0.528)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 16       ( -0.222,  -0.176,   0.346)  ( -0.217,  -0.175,   0.343)  ( 0.09,  0.02,  0.10)
175:     bond    (  0.758,  -0.200,   0.086)  (  0.762,  -0.200,   0.086)  ( 0.28,  0.01,  0.00)
175:     angle   (  0.078,   0.315,   0.044)  (  0.078,   0.315,   0.044)  ( 0.00,  0.02,  0.00)
175:     strbnd  ( -0.224,   0.410,  -0.006)  ( -0.224,   0.410,  -0.006)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.053,  -0.023,   0.416)  ( -0.053,  -0.023,   0.416)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.002,  -0.001,   0.014)  ( -0.001,  -0.001,   0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.370,  -0.087,  -0.051)  ( -0.370,  -0.087,  -0.051)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.409,  -0.590,  -0.156)  ( -0.409,  -0.590,  -0.156)  ( 0.00,  0.00,  0.00)
175: 17       ( -0.172,  -0.001,   0.210)  ( -0.170,   0.003,   0.205)  ( 0.02,  0.00,  0.11)
175:     bond    (  0.202,  -2.402,  -0.106)  (  0.202,  -2.398,  -0.106)  ( 0.00,  0.16,  0.00)
175:     angle   (  0.155,   0.010,   0.062)  (  0.156,   0.010,   0.062)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  0.312,   1.242,   0.101)  (  0.312,   1.242,   0.101)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.037,  -0.018,   0.329)  ( -0.037,  -0.018,   0.329)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.003,  -0.001,   0.025)  ( -0.002,  -0.001,   0.019)  ( 0.00,  0.00,  0.01)
175:     vdw     ( -0.532,   0.720,  -0.009)  ( -0.532,   0.720,  -0.009)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.269,   0.447,  -0.192)  ( -0.269,   0.447,  -0.192)  ( 0.00,  0.00,  0.00)
175: 18       ( -0.081,  -0.033,  -0.057)  ( -0.060,  -0.053,  -0.067)  ( 0.17,  0.07,  0.06)
175:     bond    ( -6.379,   0.928, -24.889)  ( -6.375,   0.931, -24.885)  ( 0.06,  0.30,  0.02)
175:     angle   (  9.056,   0.616,  23.534)  (  9.058,   0.619,  23.536)  ( 0.02,  0.14,  0.01)
175:     strbnd  ( -5.196,  -2.586,  -0.461)  ( -5.197,  -2.587,  -0.462)  ( 0.03,  0.04,  0.02)
175:     torsion (  1.569,  -1.208,   0.648)  (  1.569,  -1.208,   0.648)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.120,   0.144,   0.106)  ( -0.104,   0.120,   0.090)  ( 0.19,  0.35,  0.17)
175:     vdw     (  1.409,   4.724,  -3.655)  (  1.409,   4.724,  -3.655)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.420,  -2.651,   4.661)  ( -0.420,  -2.651,   4.661)  ( 0.00,  0.00,  0.00)
175: 19       ( -0.058,   0.004,   0.349)  ( -0.047,   0.015,   0.354)  ( 0.06,  0.00,  0.19)
175:     bond    ( -2.284,   1.490,  -1.564)  ( -2.281,   1.492,  -1.560)  ( 0.13,  0.13,  0.31)
175:     angle   ( -1.097,  -5.742,  -2.880)  ( -1.096,  -5.741,  -2.878)  ( 0.12,  0.02,  0.06)
175:     strbnd  (  3.814,  -3.033,   2.137)  (  3.814,  -3.033,   2.137)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.420,   0.671,  -0.162)  (  0.420,   0.672,  -0.162)  ( 0.02,  0.04,  0.00)
175:     oop     ( -0.056,  -0.065,   0.006)  ( -0.050,  -0.058,   0.005)  ( 0.04,  0.05,  0.00)
175:     vdw     ( -0.306,   9.504,   2.421)  ( -0.306,   9.504,   2.421)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.549,  -2.822,   0.391)  ( -0.549,  -2.822,   0.391)  ( 0.00,  0.00,  0.00)
175: 20       (  0.614,   0.560,   0.386)  (  0.502,   0.609,   0.460)  ( 6.89,  2.73,  2.86)
175:     bond    ( -2.231, -20.883,   8.347)  ( -2.227, -20.877,   8.352)  ( 0.15,  0.03,  0.06)
175:     angle   ( -4.426,  15.205,  -3.475)  ( -4.426,  15.207,  -3.473)  ( 0.02,  0.01,  0.05)
175:     strbnd  ( -4.771,  -2.312,  -7.995)  ( -4.772,  -2.313,  -7.996)  ( 0.01,  0.04,  0.02)
175:     torsion ( -2.925,   0.824,   1.217)  ( -2.924,   0.824,   1.217)  ( 0.01,  0.00,  0.00)
175:     oop     (  0.652,  -0.226,  -0.380)  (  0.536,  -0.185,  -0.311)  ( 7.57,  0.92,  2.60)
175:     vdw     (  7.151,   3.310,   3.612)  (  7.151,   3.310,   3.612)  ( 0.00,  0.00,  0.00)
175:     electro (  7.163,   4.641,  -0.940)  (  7.163,   4.641,  -0.940)  ( 0.00,  0.00,  0.00)
175: 21       ( -0.124,  -0.034,   0.051)  ( -0.123,  -0.033,   0.055)  ( 0.01,  0.00,  0.02)
175:     bond    ( -0.235,  -0.308,  -2.219)  ( -0.235,  -0.308,  -2.216)  ( 0.00,  0.00,  0.15)
175:     angle   (  4.698,  -5.851,   0.315)  (  4.699,  -5.850,   0.315)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -0.581,  -0.336,   1.443)  ( -0.581,  -0.336,   1.443)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.301,   0.144,   0.118)  ( -1.301,   0.144,   0.118)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.704,   6.318,   0.395)  ( -2.704,   6.318,   0.395)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       ( -0.190,  -0.210,  -0.397)  ( -0.195,  -0.220,  -0.390)  ( 0.10,  0.21,  0.27)
175:     bond    (  7.110,  -5.000,  16.974)  (  7.113,  -4.998,  16.979)  ( 0.05,  0.04,  0.03)
175:     angle   ( -2.542,   1.862,  -6.168)  ( -2.541,   1.862,  -6.166)  ( 0.04,  0.04,  0.03)
175:     strbnd  ( -2.998,   2.586,   2.923)  ( -2.998,   2.586,   2.923)  ( 0.00,  0.00,  0.01)
175:     torsion (  0.187,   0.206,   0.004)  (  0.187,   0.207,   0.004)  ( 0.01,  0.02,  0.00)
175:     oop     (  0.071,   0.090,  -0.001)  (  0.060,   0.076,  -0.000)  ( 0.07,  0.12,  0.00)
175:     vdw     ( -3.409,   1.113, -13.213)  ( -3.409,   1.113, -13.213)  ( 0.00,  0.01,  0.00)
175:     electro (  1.392,  -1.067,  -0.917)  (  1.392,  -1.067,  -0.917)  ( 0.00,  0.00,  0.00)
175: 23       ( -0.334,  -0.228,   0.485)  ( -0.328,  -0.223,   0.493)  ( 0.22,  0.13,  0.36)
175:     bond    ( -4.764,   3.427,  11.494)  ( -4.760,   3.429,  11.499)  ( 0.07,  0.06,  0.05)
175:     angle   (  1.122,  -0.757,   2.811)  (  1.123,  -0.756,   2.813)  ( 0.09,  0.04,  0.06)
175:     strbnd  (  2.035,  -1.610,  -1.356)  (  2.035,  -1.610,  -1.356)  ( 0.01,  0.01,  0.01)
175:     torsion ( -0.226,  -0.307,   0.011)  ( -0.225,  -0.307,   0.011)  ( 0.01,  0.03,  0.00)
175:     oop     ( -0.009,  -0.013,  -0.000)  ( -0.008,  -0.010,  -0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.387,  -0.990, -13.718)  (  1.387,  -0.990, -13.718)  ( 0.00,  0.00,  0.00)
175:     electro (  0.120,   0.021,   1.244)  (  0.120,   0.021,   1.244)  ( 0.00,  0.00,  0.00)
175: 24       (  0.020,  -0.128,  -0.527)  (  0.034,  -0.112,  -0.520)  ( 0.03,  0.20,  0.37)
175:     bond    ( -7.605,   5.610,   5.554)  ( -7.601,   5.612,   5.560)  ( 0.05,  0.04,  0.10)
175:     angle   ( -1.737,   1.343,   0.082)  ( -1.736,   1.343,   0.083)  ( 0.06,  0.05,  0.01)
175:     strbnd  (  0.340,  -0.282,  -1.073)  (  0.340,  -0.282,  -1.073)  ( 0.00,  0.00,  0.02)
175:     torsion (  0.141,   0.176,   0.004)  (  0.142,   0.177,   0.004)  ( 0.01,  0.01,  0.00)
175:     oop     ( -0.055,  -0.073,  -0.001)  ( -0.046,  -0.061,  -0.001)  ( 0.05,  0.09,  0.00)
175:     vdw     (  9.119,  -7.021,  -4.701)  (  9.119,  -7.021,  -4.701)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.183,   0.118,  -0.392)  ( -0.183,   0.118,  -0.392)  ( 0.00,  0.00,  0.00)
175: 25       (  0.159,   0.213,   0.583)  (  0.143,   0.190,   0.589)  ( 0.26,  0.50,  0.38)
175:     bond    (-11.078,   8.736,  -4.694)  (-11.074,   8.738,  -4.688)  ( 0.03,  0.02,  0.12)
175:     angle   (  1.300,  -0.887,  -3.803)  (  1.301,  -0.886,  -3.801)  ( 0.08,  0.06,  0.05)
175:     strbnd  (  1.316,  -0.991,   0.244)  (  1.316,  -0.991,   0.244)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.076,  -0.091,   0.002)  ( -0.076,  -0.090,   0.002)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.140,   0.179,   0.005)  (  0.119,   0.152,   0.004)  ( 0.30,  0.49,  0.00)
175:     vdw     (  8.950,  -6.944,   9.005)  (  8.950,  -6.943,   9.005)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.393,   0.211,  -0.176)  ( -0.393,   0.211,  -0.176)  ( 0.00,  0.00,  0.00)
175: 26       (  0.084,   0.183,  -0.225)  (  0.142,   0.255,  -0.217)  ( 0.48,  1.32,  0.18)
175:     bond    ( -0.944,   0.846, -18.247)  ( -0.940,   0.848, -18.243)  ( 0.30,  0.17,  0.02)
175:     angle   (  7.126,  -5.296,   3.718)  (  7.127,  -5.296,   3.720)  ( 0.01,  0.01,  0.05)
175:     strbnd  ( -7.430,   5.904,   0.945)  ( -7.430,   5.904,   0.944)  ( 0.00,  0.00,  0.05)
175:     torsion ( -0.866,  -1.152,  -0.063)  ( -0.866,  -1.152,  -0.063)  ( 0.03,  0.06,  0.00)
175:     oop     ( -0.313,  -0.407,  -0.015)  ( -0.261,  -0.338,  -0.012)  ( 1.66,  2.81,  0.00)
175:     vdw     (  3.069,  -0.873,  13.253)  (  3.069,  -0.873,  13.253)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.557,   1.161,   0.184)  ( -0.557,   1.161,   0.184)  ( 0.00,  0.00,  0.00)
175: 27       ( -0.315,  -0.428,   0.139)  ( -0.314,  -0.427,   0.141)  ( 0.05,  0.03,  0.03)
175:     bond    (  2.446,  -1.770,   2.501)  (  2.447,  -1.769,   2.503)  ( 0.06,  0.04,  0.06)
175:     angle   ( -1.543,   1.181,   2.343)  ( -1.543,   1.181,   2.344)  ( 0.01,  0.01,  0.02)
175:     strbnd  ( -1.339,   0.977,  -0.789)  ( -1.339,   0.977,  -0.789)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.988,   1.336,  -0.022)  (  0.988,   1.336,  -0.022)  ( 0.01,  0.02,  0.00)
175:     oop     (  0.002,   0.003,  -0.000)  (  0.002,   0.002,  -0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.259,  -2.708,  -3.410)  (  1.260,  -2.708,  -3.410)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.129,   0.554,  -0.484)  ( -2.129,   0.554,  -0.484)  ( 0.00,  0.00,  0.00)
175: 28       (  0.161,   0.473,  -0.074)  (  0.162,   0.473,  -0.072)  ( 0.01,  0.00,  0.01)
175:     bond    ( -1.791,   1.438,  -1.751)  ( -1.790,   1.439,  -1.750)  ( 0.08,  0.07,  0.08)
175:     angle   ( -0.694,   0.523,   1.139)  ( -0.694,   0.523,   1.139)  ( 0.01,  0.00,  0.04)
175:     strbnd  (  0.572,  -0.470,   0.906)  (  0.572,  -0.470,   0.906)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.222,   0.282,   0.005)  (  0.222,   0.283,   0.005)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.006,   0.008,   0.000)  (  0.005,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.510,  -1.901,  -1.427)  (  2.510,  -1.901,  -1.427)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.665,   0.593,   1.054)  ( -0.665,   0.593,   1.054)  ( 0.00,  0.00,  0.00)
175: 29       (  0.385,   0.558,   0.067)  (  0.367,   0.535,   0.068)  ( 0.68,  1.30,  0.01)
175:     bond    (  0.302,  -0.086,  -3.852)  (  0.302,  -0.086,  -3.850)  ( 0.00,  0.00,  0.06)
175:     angle   ( -6.191,   4.765,  -0.593)  ( -6.191,   4.765,  -0.593)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  0.076,   0.015,  -2.804)  (  0.076,   0.015,  -2.804)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.648,   0.848,   0.032)  (  0.648,   0.848,   0.032)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.111,   0.143,   0.005)  (  0.093,   0.120,   0.005)  ( 0.20,  0.34,  0.00)
175:     vdw     (  5.741,  -5.031,   8.170)  (  5.741,  -5.031,   8.171)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.302,  -0.096,  -0.891)  ( -0.302,  -0.096,  -0.891)  ( 0.00,  0.00,  0.00)
175: 30       ( -0.388,  -0.464,  -0.137)  ( -0.390,  -0.467,  -0.134)  ( 0.06,  0.11,  0.05)
175:     bond    ( -0.285,   0.192,   2.526)  ( -0.284,   0.192,   2.529)  ( 0.00,  0.00,  0.15)
175:     angle   (  0.191,  -0.141,   0.032)  (  0.191,  -0.141,   0.032)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.092,   0.073,  -0.831)  ( -0.092,   0.073,  -0.831)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.351,  -0.466,  -0.004)  ( -0.351,  -0.466,  -0.004)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.013,   0.017,   0.000)  (  0.011,   0.014,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.124,  -0.078,  -0.755)  (  0.124,  -0.078,  -0.755)  ( 0.00,  0.00,  0.00)
175:     electro (  0.011,  -0.061,  -1.105)  (  0.011,  -0.061,  -1.105)  ( 0.00,  0.00,  0.00)
175: 31       ( -0.193,   0.021,   0.101)  ( -0.196,   0.016,   0.102)  ( 0.05,  0.01,  0.01)
175:     bond    ( -1.807,   1.366,   0.917)  ( -1.805,   1.368,   0.917)  ( 0.11,  0.09,  0.05)
175:     angle   (  0.005,   0.002,   0.007)  (  0.005,   0.002,   0.008)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  0.452,  -0.351,  -0.140)  (  0.452,  -0.351,  -0.140)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.111,  -0.144,  -0.004)  ( -0.110,  -0.143,  -0.004)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.028,   0.036,   0.000)  (  0.023,   0.030,   0.000)  ( 0.01,  0.02,  0.00)
175:     vdw     (  0.558,  -0.417,  -0.304)  (  0.558,  -0.417,  -0.304)  ( 0.00,  0.00,  0.00)
175:     electro (  0.682,  -0.472,  -0.376)  (  0.682,  -0.472,  -0.376)  ( 0.00,  0.00,  0.00)
175: 32       ( -0.425,  -0.505,  -0.048)  ( -0.365,  -0.520,  -0.079)  ( 2.55,  0.73,  0.15)
175:     bond    ( -5.280,  -7.572,  -4.556)  ( -5.277,  -7.567,  -4.554)  ( 0.05,  0.06,  0.04)
175:     angle   ( -0.110,   0.279,  -0.337)  ( -0.110,   0.279,  -0.337)  ( 0.00,  0.01,  0.02)
175:     strbnd  (  1.293,   1.229,   1.466)  (  1.293,   1.229,   1.466)  ( 0.00,  0.01,  0.01)
175:     torsion (  1.739,  -0.595,  -1.027)  (  1.739,  -0.595,  -1.027)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.260,   0.090,   0.151)  ( -0.202,   0.070,   0.118)  ( 1.49,  0.18,  0.50)
175:     vdw     (  4.932,   0.142,   8.178)  (  4.933,   0.142,   8.178)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.741,   5.922,  -3.924)  ( -2.741,   5.922,  -3.924)  ( 0.00,  0.00,  0.00)
175: 33       (  0.059,   0.082,  -0.083)  (  0.093,   0.076,  -0.098)  ( 0.20,  0.05,  0.12)
175:     bond    (  4.715,   4.557,   6.062)  (  4.716,   4.560,   6.065)  ( 0.02,  0.07,  0.06)
175:     angle   ( -7.689, -18.240,  -5.025)  ( -7.688, -18.238,  -5.024)  ( 0.01,  0.01,  0.01)
175:     strbnd  (  3.295,  -2.419,   7.181)  (  3.295,  -2.419,   7.181)  ( 0.00,  0.01,  0.00)
175:     torsion ( -1.716,   0.412,   0.834)  ( -1.716,   0.412,   0.834)  ( 0.01,  0.00,  0.00)
175:     oop     ( -0.210,   0.072,   0.121)  ( -0.178,   0.061,   0.103)  ( 0.68,  0.08,  0.23)
175:     vdw     (  1.937,  10.751,  -6.247)  (  1.938,  10.752,  -6.247)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.274,   4.948,  -3.009)  ( -0.274,   4.948,  -3.009)  ( 0.00,  0.00,  0.00)
175: 34       (  0.389,   0.093,   0.080)  (  0.395,   0.098,   0.086)  ( 0.24,  0.05,  0.05)
175:     bond    ( -0.334,  -4.761,   2.356)  ( -0.329,  -4.757,   2.361)  ( 0.15,  0.10,  0.19)
175:     angle   (  0.189,   3.946,   0.226)  (  0.190,   3.948,   0.228)  ( 0.03,  0.05,  0.04)
175:     strbnd  (  0.552,   0.973,   0.402)  (  0.551,   0.972,   0.402)  ( 0.02,  0.16,  0.02)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 29       ( -0.010,   0.009,   0.006)  ( -0.009,   0.011,   0.007)  ( 0.00,  0.00,  0.00)
176:     bond    ( -1.360,   1.906,  -0.984)  ( -1.359,   1.908,  -0.983)  ( 0.07,  0.10,  0.05)
176:     angle   ( -1.796,  -0.247,   2.003)  ( -1.796,  -0.247,   2.004)  ( 0.02,  0.01,  0.02)
176:     strbnd  (  0.022,  -0.940,   0.574)  (  0.022,  -0.940,   0.574)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.230,  -0.392,  -1.079)  (  0.230,  -0.392,  -1.079)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  2.893,  -0.319,  -0.508)  (  2.893,  -0.319,  -0.508)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 30       ( -0.034,  -0.020,   0.025)  ( -0.032,  -0.019,   0.027)  ( 0.01,  0.00,  0.00)
176:     bond    ( -1.739,  -1.521,   1.401)  ( -1.737,  -1.520,   1.402)  ( 0.08,  0.07,  0.07)
176:     angle   ( -1.608,   1.824,  -0.015)  ( -1.608,   1.824,  -0.015)  ( 0.02,  0.02,  0.00)
176:     strbnd  (  0.184,   0.874,  -0.682)  (  0.184,   0.874,  -0.682)  ( 0.00,  0.00,  0.00)
176:     torsion (  0.081,  -0.467,  -0.406)  (  0.081,  -0.467,  -0.406)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  3.048,  -0.731,  -0.273)  (  3.048,  -0.731,  -0.273)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: 31       (  0.009,  -0.001,   0.008)  (  0.010,   0.000,   0.009)  ( 0.00,  0.00,  0.00)
176:     bond    ( -0.898,  -0.437,  -0.824)  ( -0.896,  -0.436,  -0.823)  ( 0.15,  0.02,  0.11)
176:     angle   (  0.051,   0.059,  -0.088)  (  0.051,   0.060,  -0.088)  ( 0.00,  0.00,  0.00)
176:     strbnd  ( -0.056,   0.008,  -0.026)  ( -0.056,   0.008,  -0.026)  ( 0.00,  0.00,  0.00)
176:     torsion ( -0.032,  -0.088,   0.081)  ( -0.032,  -0.087,   0.081)  ( 0.00,  0.00,  0.00)
176:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176:     vdw     (  0.943,   0.456,   0.865)  (  0.943,   0.456,   0.865)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
176: ok 14 # gradients 
176: ok 15 # energy 
176: ----------------------------------------------------------------------------------------
176:                                                                                         
176:   VALIDATE GRADIENTS : vuwxug.xyz
176:                                                                                         
176:                                                                                         
176: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
176: ----------------------------------------------------------------------------------------
176:  1       (  0.017,  -0.032,  -0.004)  (  0.360,   0.161,  -0.046)  ( 0.59,  0.62,  0.02)
176:     bond    (  4.935,  -9.109,  -1.104)  (  4.935,  -9.107,  -1.104)  ( 0.02,  0.03,  0.01)
176:     angle   ( -2.548,  -2.956,  12.992)  ( -2.548,  -2.956,  12.993)  ( 0.00,  0.00,  0.01)
176:     strbnd  (  3.655,  -7.443,   0.124)  (  3.655,  -7.443,   0.124)  ( 0.00,  0.00,  0.00)
176:     torsion (  4.665,   2.461,   0.552)  (  4.665,   2.461,   0.552)  ( 0.00,  0.00,  0.00)
176:     oop     ( -2.201,  -1.235,   0.352)  ( -1.859,  -1.045,   0.309)  (15.54, 15.42,  1.50)
176:     vdw     ( -2.138,   3.876,  -4.785)  ( -2.138,   3.876,  -4.785)  ( 0.00,  0.00,  0.00)
176:     electro ( -6.351,  14.374,  -8.135)  ( -6.351,  14.374,  -8.135)  ( 0.00,  0.00,  0.00)
176:  2       (  0.013,  -0.006,  -0.016)  (  0.100,   0.046,   0.007)  ( 0.12,  0.03,  0.04)
176:     bond    (  6.117, -25.834, -17.177)  (  6.117, -25.831, -17.166)  ( 0.01,  0.01,  0.06)
176:     angle   ( -9.069,  20.562,  11.811)  ( -9.068,  20.564,  11.813)  ( 0.00,  0.01,  0.02)
176:     strbnd  ( -0.570,   2.942,  11.231)  ( -0.570,   2.942,  11.229)  ( 0.00,  0.01,  0.02)
176:     torsion (  5.151,   1.716,  -0.095)  (  5.151,   1.716,  -0.095)  ( 0.01,  0.00,  0.00)
176:     oop     ( -0.825,  -0.292,  -0.005)  ( -0.739,  -0.246,   0.007)  ( 7.08,  1.34,  0.01)
176:     vdw     ( -0.760,   1.774,  -1.397)  ( -0.760,   1.774,  -1.397)  ( 0.00,  0.00,  0.00)
176:     electro ( -0.031,  -0.874,  -4.384)  ( -0.031,  -0.874,  -4.384)  ( 0.00,  0.00,  0.00)
176:  3       ( -0.030,   0.042,  -0.002)  ( -1.051,  -0.373,   0.176)  ( 3.08,  1.73,  0.04)
176:     bond    ( -0.092,  -4.505,  20.203)  ( -0.091,  -4.501,  20.209)  ( 0.01,  0.11,  0.03)
176:     angle   ( 15.243, -23.754, -22.274)  ( 15.243, -23.753, -22.272)  ( 0.00,  0.01,  0.01)
176:     strbnd  ( -1.022,   1.368,   2.985)  ( -1.022,   1.367,   2.985)  ( 0.02,  0.04,  0.02)
176:     torsion (-13.562,  -4.422,   0.317)  (-13.562,  -4.422,   0.317)  ( 0.00,  0.00,  0.00)
176:     oop     (  7.262,   2.827,  -1.384)  (  6.240,   2.406,  -1.213)  (14.07, 14.88, 12.33)
176:     vdw     ( -1.549,   6.037,   1.007)  ( -1.549,   6.037,   1.007)  ( 0.00,  0.00,  0.00)
176:     electro ( -6.310,  22.492,  -0.857)  ( -6.310,  22.492,  -0.857)  ( 0.00,  0.00,  0.00)
176:  4       ( -0.008,   0.003,  -0.019)  (  0.107,   0.035,  -0.019)  ( 0.09,  0.01,  0.00)
176:     bond    (  0.074,  -3.835, -13.494)  (  0.074,  -3.834, -13.485)  ( 0.00,  0.02,  0.06)
176:     angle   (  0.976,  -3.230,   0.924)  (  0.976,  -3.229,   0.924)  ( 0.00,  0.02,  0.01)
176:     strbnd  ( -0.552,   0.029,  -7.860)  ( -0.552,   0.029,  -7.860)  ( 0.00,  0.00,  0.00)
176:     torsion ( -1.574,  -0.412,   0.108)  ( -1.574,  -0.412,   0.108)  ( 0.01,  0.00,  0.00)
176:     oop     ( -0.503,  -0.135,   0.036)  ( -0.388,  -0.104,   0.028)  ( 5.79,  0.41,  0.03)
176:     vdw     (  0.515,   2.328,   5.755)  (  0.515,   2.328,   5.755)  ( 0.00,  0.01,  0.00)
176:     electro (  1.057,   5.257,  14.512)  (  1.057,   5.257,  14.512)  ( 0.00,  0.00,  0.00)
176:  5       (  0.003,  -0.006,   0.005)  (  0.404,   0.128,  -0.118)  ( 0.12,  0.08,  0.06)
176:     bond    (  0.018,   0.073,   0.129)  (  0.018,   0.074,   0.133)  ( 0.00,  0.01,  0.05)
176:     angle   ( -4.844,   9.643,  -4.711)  ( -4.844,   9.644,  -4.711)  ( 0.00,  0.01,  0.00)
176:     strbnd  ( -0.264,   0.055,   0.251)  ( -0.264,   0.055,   0.251)  ( 0.00,  0.00,  0.00)
176:     torsion (  4.454,   0.421,  -0.829)  (  4.455,   0.421,  -0.829)  ( 0.00,  0.00,  0.00)
176:     oop     ( -3.071,  -0.983,   0.957)  ( -2.670,  -0.852,   0.830)  (13.05, 12.95, 12.12)
176:     vdw     ( -0.672,   1.547,  -1.346)  ( -0.672,   1.547,  -1.346)  ( 0.00,  0.00,  0.00)
176:     electro (  4.382, -10.762,   5.553)  (  4.382, -10.762,   5.553)  ( 0.00,  0.00,  0.00)
176:  6       ( -0.018,  -0.005,  -0.006)  ( -0.100,  -0.046,  -0.007)  ( 0.15,  0.02,  0.00)
176:     bond    ( -6.118,  25.827,  17.156)  ( -6.117,  25.831,  17.166)  ( 0.01,  0.01,  0.06)
176:     angle   (  9.068, -20.566, -11.815)  (  9.068, -20.564, -11.813)  ( 0.00,  0.01,  0.02)
176:     strbnd  (  0.570,  -2.941, -11.227)  (  0.570,  -2.942, -11.229)  ( 0.00,  0.01,  0.02)
176:     torsion ( -5.151,  -1.716,   0.095)  ( -5.151,  -1.716,   0.095)  ( 0.01,  0.00,  0.00)
176:     oop     (  0.822,   0.291,   0.005)  (  0.739,   0.246,  -0.007)  ( 6.84,  1.33,  0.01)
176:     vdw     (  0.760,  -1.774,   1.397)  (  0.760,  -1.774,   1.397)  ( 0.00,  0.00,  0.00)
176:     electro (  0.031,   0.874,   4.384)  (  0.031,   0.874,   4.384)  ( 0.00,  0.00,  0.00)
176:  7       (  0.027,  -0.054,  -0.013)  (  1.051,   0.373,  -0.176)  ( 2.79,  2.29,  0.21)
176:     bond    (  0.090,   4.496, -20.215)  (  0.091,   4.501, -20.209)  ( 0.01,  0.11,  0.03)
176:     angle   (-15.244,  23.751,  22.270)  (-15.243,  23.753,  22.272)  ( 0.00,  0.01,  0.01)
176:     strbnd  (  1.022,  -1.367,  -2.985)  (  1.022,  -1.367,  -2.985)  ( 0.02,  0.04,  0.02)
176:     torsion ( 13.561,   4.422,  -0.317)  ( 13.562,   4.422,  -0.317)  ( 0.00,  0.00,  0.00)
176:     oop     ( -7.262,  -2.827,   1.384)  ( -6.240,  -2.406,   1.213)  (14.07, 14.88, 12.33)
176:     vdw     (  1.549,  -6.037,  -1.007)  (  1.549,  -6.037,  -1.007)  ( 0.00,  0.00,  0.00)
176:     electro (  6.310, -22.492,   0.857)  (  6.310, -22.492,   0.857)  ( 0.00,  0.00,  0.00)
176:  8       (  0.007,  -0.006,   0.002)  ( -0.107,  -0.035,   0.019)  ( 0.08,  0.02,  0.00)
176:     bond    ( -0.074,   3.834,  13.477)  ( -0.074,   3.834,  13.485)  ( 0.00,  0.02,  0.06)
176:     angle   ( -0.976,   3.229,  -0.924)  ( -0.976,   3.229,  -0.924)  ( 0.00,  0.02,  0.01)
176:     strbnd  (  0.552,  -0.030,   7.860)  (  0.552,  -0.029,   7.860)  ( 0.00,  0.00,  0.00)
176:     torsion (  1.574,   0.412,  -0.108)  (  1.574,   0.412,  -0.108)  ( 0.01,  0.00,  0.00)
176:     oop     (  0.503,   0.135,  -0.036)  (  0.388,   0.104,  -0.028)  ( 5.76,  0.41,  0.03)
176:     vdw     ( -0.515,  -2.328,  -5.755)  ( -0.515,  -2.328,  -5.755)  ( 0.00,  0.01,  0.00)
176:     electro ( -1.057,  -5.257, -14.512)  ( -1.057,  -5.257, -14.512)  ( 0.00,  0.00,  0.00)
176:  9       ( -0.019,   0.027,   0.003)  ( -0.360,  -0.161,   0.046)  ( 0.63,  0.51,  0.01)
176:     bond    ( -4.936,   9.104,   1.104)  ( -4.935,   9.107,   1.104)  ( 0.02,  0.03,  0.01)
176:     angle   (  2.548,   2.956, -12.993)  (  2.548,   2.956, -12.993)  ( 0.00,  0.00,  0.01)
176:     strbnd  ( -3.655,   7.442,  -0.124)  ( -3.655,   7.443,  -0.124)  ( 0.00,  0.00,  0.00)
176:     torsion ( -4.666,  -2.462,  -0.552)  ( -4.665,  -2.461,  -0.552)  ( 0.00,  0.00,  0.00)
176:     oop     (  2.201,   1.235,  -0.352)  (  1.859,   1.045,  -0.309)  (15.54, 15.42,  1.50)
176:     vdw     (  2.138,  -3.876,   4.785)  (  2.138,  -3.876,   4.785)  ( 0.00,  0.00,  0.00)
176:     electro (  6.351, -14.374,   8.135)  (  6.351, -14.374,   8.135)  ( 0.00,  0.00,  0.00)
176: 10       ( -0.004,   0.002,  -0.012)  ( -0.404,  -0.128,   0.118)  ( 0.15,  0.03,  0.16)
176:     bond    ( -0.018,  -0.075,  -0.136)  ( -0.018,  -0.074,  -0.133)  ( 0.00,  0.01,  0.05)
176:     angle   (  4.844,  -9.644,   4.710)  (  4.844,  -9.644,   4.711)  ( 0.00,  0.01,  0.00)
176:     strbnd  (  0.264,  -0.055,  -0.251)  (  0.264,  -0.055,  -0.251)  ( 0.00,  0.00,  0.00)
176:     torsion ( -4.455,  -0.421,   0.829)  ( -4.455,  -0.421,   0.829)  ( 0.00,  0.00,  0.00)
176:     oop     (  3.071,   0.983,  -0.957)  (  2.670,   0.852,  -0.830)  (13.05, 12.95, 12.12)
176:     vdw     (  0.672,  -1.547,   1.346)  (  0.672,  -1.547,   1.346)  ( 0.00,  0.00,  0.00)
176:     electro ( -4.382,  10.762,  -5.553)  ( -4.382,  10.762,  -5.553)  ( 0.00,  0.00,  0.00)
176: ok 16 # gradients 
175:     torsion (  1.469,  -0.111,  -0.152)  (  1.469,  -0.111,  -0.152)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.779,   1.527,  -7.078)  ( -3.779,   1.527,  -7.078)  ( 0.00,  0.00,  0.00)
175:     electro (  2.292,  -1.482,   4.326)  (  2.292,  -1.482,   4.326)  ( 0.00,  0.00,  0.00)
175: 35       (  0.303,   0.212,   0.053)  (  0.304,   0.213,   0.055)  ( 0.04,  0.01,  0.01)
175:     bond    (  0.249,   0.013,   0.448)  (  0.250,   0.013,   0.451)  ( 0.02,  0.00,  0.12)
175:     angle   (  0.291,   0.661,  -0.181)  (  0.291,   0.662,  -0.181)  ( 0.01,  0.04,  0.00)
175:     strbnd  ( -0.215,  -0.451,  -0.159)  ( -0.215,  -0.451,  -0.159)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.017,  -0.004,  -0.009)  (  0.017,  -0.004,  -0.009)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.039,  -0.007,  -0.046)  ( -0.039,  -0.007,  -0.046)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 36       (  0.432,   0.172,   0.118)  (  0.434,   0.174,   0.120)  ( 0.05,  0.03,  0.02)
175:     bond    (  0.425,  -0.592,  -0.547)  (  0.425,  -0.590,  -0.545)  ( 0.03,  0.08,  0.07)
175:     angle   (  1.840,  -0.935,   2.446)  (  1.841,  -0.935,   2.446)  ( 0.02,  0.03,  0.01)
175:     strbnd  (  0.155,  -0.679,  -0.026)  (  0.155,  -0.679,  -0.026)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.272,  -0.056,  -0.151)  ( -0.272,  -0.056,  -0.151)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.715,   2.434,  -1.604)  ( -1.715,   2.434,  -1.604)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 37       (  0.355,  -0.026,   0.062)  (  0.358,  -0.025,   0.062)  ( 0.11,  0.00,  0.00)
175:     bond    ( -0.517,  -0.155,   0.092)  ( -0.514,  -0.155,   0.092)  ( 0.16,  0.00,  0.00)
175:     angle   (  0.968,  -1.352,   3.151)  (  0.969,  -1.351,   3.152)  ( 0.01,  0.04,  0.01)
175:     strbnd  ( -0.412,  -0.566,   0.270)  ( -0.412,  -0.566,   0.270)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.011,  -0.098,  -0.229)  ( -0.011,  -0.098,  -0.229)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.326,   2.145,  -3.222)  (  0.326,   2.145,  -3.222)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 26 # gradients 
175: ok 27 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
175:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
175:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
175:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
175:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
175:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
175:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
175:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
175:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
175:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
175:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
175:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
175:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
175:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
175:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
175:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
175:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
175:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
175:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
175:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
175:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
175:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
175:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
175:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
175:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
175:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
175:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
175:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
175:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
175:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
175:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
175:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
175:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
175:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
175:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
175:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
175:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
175:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
175:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
175:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
175:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
175:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
175:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
175:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
175:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
175:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
175:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
175:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
175:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
175:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
175:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
175:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
175:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
175:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
175:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
175:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
175: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
175:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
175:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
175:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
175:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
175:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
175: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
175:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
175:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
175:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
175:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
175:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
175:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
175: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
175:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
175:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
175:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
175:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
175:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
175:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
175: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
175:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
175:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
175:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
175:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
175: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
175:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
175:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
175:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
175:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
175: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
175:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
175:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
175:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
175:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
175:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
175: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
175:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
175:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
175:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
175:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
175:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
175: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
175:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
175:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
175:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
175:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
175:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
175: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
175:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
175:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
175:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
175:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
175:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
175: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
175:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
175:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
175:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
175: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
175:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
175:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
175:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
175:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
175:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
175:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
175: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
175:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
175:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
175:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
175:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
175:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
175: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
175:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
175:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
175:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
175:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
175: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
175:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
175:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
175:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
175:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
175: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
175:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
175:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
175:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
175:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
175:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
175:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
175:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
175:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
175:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
175:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
175:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
175:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
175:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
175:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
175:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
175:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
175:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
175:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
175:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
175:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
175:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
175:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
175:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
175:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
175:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
175:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
175:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
175:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
175:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
175:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
175:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
175:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
175:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
175:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
175:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
175: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
175:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
175:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
175:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
175:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
175: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
175:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
175:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
175:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
175: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
175:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
175:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
175:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
175: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
175:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
175:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
175:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
175:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
175: ok 28 # gradients 
175: ok 29 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       (-37.071, -81.376,  -8.715)  (-37.065, -81.370,  -8.711)  ( 0.01,  0.01,  0.06)
175:     bond    ( -6.927,  -6.224,   0.204)  ( -6.923,  -6.219,   0.208)  ( 0.06,  0.08,  0.07)
175:     angle   (-43.402, -92.594,  -5.039)  (-43.401, -92.592,  -5.037)  ( 0.00,  0.00,  0.03)
175:     strbnd  ( 17.017,  19.808,  -1.013)  ( 17.017,  19.807,  -1.014)  ( 0.00,  0.00,  0.03)
175:     torsion ( -0.140,   0.089,  -0.286)  ( -0.140,   0.089,  -0.286)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.619,  -2.454,  -2.581)  ( -3.619,  -2.454,  -2.581)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  2       (-39.440,   2.545,  50.699)  (-39.434,   2.550,  50.705)  ( 0.01,  0.18,  0.01)
175:     bond    (  2.221,   0.743,  -4.295)  (  2.225,   0.746,  -4.291)  ( 0.19,  0.23,  0.10)
175:     angle   (-30.186,   6.101,  43.460)  (-30.184,   6.103,  43.462)  ( 0.01,  0.03,  0.00)
175:     strbnd  ( -8.549,  -6.318,  14.014)  ( -8.550,  -6.318,  14.014)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.634,  -0.131,  -0.999)  ( -0.634,  -0.131,  -0.999)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.292,   2.150,  -1.482)  ( -2.292,   2.150,  -1.482)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  3       ( -1.587,  40.280, -47.662)  ( -1.722,  39.405, -48.005)  ( 8.54,  2.17,  0.72)
175:     bond    ( -0.509,   0.513,  -6.367)  ( -0.504,   0.517,  -6.364)  ( 0.25,  0.20,  0.05)
175:     angle   ( 13.510,  14.854, -42.989)  ( 13.512,  14.856, -42.987)  ( 0.01,  0.01,  0.00)
175:     strbnd  (-14.490,   2.857,  -6.469)  (-14.491,   2.857,  -6.469)  ( 0.01,  0.01,  0.01)
175:     torsion (  0.820,  13.476,   6.086)  (  0.820,  13.476,   6.086)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.965,   7.596,   5.726)  ( -1.106,   6.716,   5.379)  (13.62, 11.59,  6.06)
175:     vdw     (  0.470,   0.645,  -3.276)  (  0.471,   0.645,  -3.276)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.424,   0.339,  -0.373)  ( -0.424,   0.339,  -0.373)  ( 0.00,  0.00,  0.00)
175:  4       ( -3.751,  47.995,  62.741)  ( -3.746,  48.001,  62.747)  ( 0.14,  0.01,  0.01)
175:     bond    ( -1.086,   2.486,   9.511)  ( -1.082,   2.490,   9.516)  ( 0.33,  0.17,  0.05)
175:     angle   ( -4.863,  51.765,  70.840)  ( -4.861,  51.767,  70.842)  ( 0.04,  0.00,  0.00)
175:     strbnd  (  4.026, -10.734, -19.678)  (  4.025, -10.735, -19.679)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.144,   0.700,  -0.367)  (  0.144,   0.700,  -0.367)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.972,   3.779,   2.435)  ( -1.972,   3.779,   2.435)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       (-38.271, -131.602, -55.190)  (-37.474, -129.364, -53.224)  ( 2.08,  1.70,  3.56)
175:     bond    (  8.677, -20.361, -12.122)  (  8.681, -20.358, -12.120)  ( 0.05,  0.02,  0.02)
175:     angle   (-36.816, -71.485,  11.280)  (-36.815, -71.484,  11.281)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( 12.873,  -5.181,   7.752)  ( 12.873,  -5.181,   7.752)  ( 0.00,  0.00,  0.01)
175:     torsion (-12.225, -29.725, -36.119)  (-12.225, -29.725, -36.119)  ( 0.00,  0.00,  0.00)
175:     oop     ( -5.173, -18.341, -24.805)  ( -4.382, -16.108, -22.842)  (15.29, 12.17,  7.91)
175:     vdw     ( -5.982,  13.988,  -1.401)  ( -5.982,  13.988,  -1.401)  ( 0.00,  0.00,  0.00)
175:     electro (  0.375,  -0.497,   0.224)  (  0.375,  -0.497,   0.224)  ( 0.00,  0.00,  0.00)
175:  6       ( 59.513,  60.458,  25.145)  ( 58.727,  59.176,  24.316)  ( 1.32,  2.12,  3.30)
175:     bond    ( -6.489, -13.464,  18.197)  ( -6.484, -13.459,  18.199)  ( 0.07,  0.03,  0.01)
175:     angle   ( 37.474,  50.266, -17.881)  ( 37.475,  50.267, -17.880)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -3.586,  -8.839,   8.084)  ( -3.586,  -8.840,   8.084)  ( 0.01,  0.00,  0.00)
175:     torsion ( 14.651,  15.387,  15.614)  ( 14.652,  15.387,  15.614)  ( 0.00,  0.00,  0.00)
175:     oop     (  6.902,   8.223,   9.114)  (  6.110,   6.936,   8.282)  (11.47, 15.66,  9.13)
175:     vdw     ( 10.851,   9.567,  -8.214)  ( 10.851,   9.567,  -8.214)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.290,  -0.682,   0.230)  ( -0.290,  -0.682,   0.230)  ( 0.00,  0.00,  0.00)
175:  7       (-98.956, -30.139,   2.983)  (-97.624, -30.391,   3.584)  ( 1.35,  0.84, 20.16)
175:     bond    (-36.725,  -4.863,   0.794)  (-36.719,  -4.859,   0.795)  ( 0.01,  0.08,  0.10)
175:     angle   (-40.863, -11.120,  -0.055)  (-40.862, -11.119,  -0.054)  ( 0.00,  0.01,  0.00)
175:     strbnd  (-15.761, -19.921,  -0.231)  (-15.761, -19.921,  -0.231)  ( 0.00,  0.00,  0.00)
175:     torsion (-16.151,  -0.989,   6.996)  (-16.151,  -0.989,   6.996)  ( 0.00,  0.00,  0.01)
175:     oop     ( -6.016,   1.821,   0.042)  ( -4.691,   1.564,   0.642)  (22.03, 14.13,  2.51)
175:     vdw     ( 17.210,   4.832,  -4.353)  ( 17.210,   4.832,  -4.353)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.650,   0.102,  -0.210)  ( -0.650,   0.102,  -0.210)  ( 0.00,  0.00,  0.00)
175:  8       ( 42.185, -29.144,  98.083)  ( 40.890, -28.721,  95.733)  ( 3.07,  1.45,  2.40)
175:     bond    (  0.216,  13.908,  14.316)  (  0.219,  13.913,  14.318)  ( 0.06,  0.04,  0.01)
175:     angle   ( 11.911, -57.274,  71.476)  ( 11.912, -57.273,  71.477)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 12.084,  27.937,   5.019)  ( 12.083,  27.936,   5.019)  ( 0.00,  0.00,  0.00)
175:     torsion (  3.830,   0.035,  -3.860)  (  3.830,   0.035,  -3.861)  ( 0.00,  0.00,  0.00)
175:     oop     (  8.502,  -2.885,  10.470)  (  7.204,  -2.469,   8.117)  (15.27, 14.44, 22.47)
175:     vdw     (  7.198, -12.680,   2.190)  (  7.198, -12.679,   2.190)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.556,   1.815,  -1.528)  ( -1.556,   1.815,  -1.528)  ( 0.00,  0.00,  0.00)
175:  9       ( 32.579,  54.117, -119.425)  ( 31.952,  53.028, -118.703)  ( 1.92,  2.01,  0.60)
175:     bond    ( 10.817,   9.746, -28.895)  ( 10.820,   9.748, -28.889)  ( 0.03,  0.02,  0.02)
175:     angle   ( 35.048,  51.699, -72.855)  ( 35.049,  51.701, -72.854)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  0.568,  -4.532,  -8.148)  (  0.567,  -4.532,  -8.148)  ( 0.01,  0.00,  0.00)
175:     torsion ( -4.728,  -6.617, -17.279)  ( -4.728,  -6.618, -17.279)  ( 0.00,  0.01,  0.00)
175:     oop     (  1.204,   5.714,  -4.530)  (  0.573,   4.622,  -3.815)  (52.37, 19.12, 15.77)
175:     vdw     (-10.056,  -2.512,  13.221)  (-10.056,  -2.512,  13.222)  ( 0.00,  0.01,  0.00)
175:     electro ( -0.274,   0.620,  -0.940)  ( -0.274,   0.620,  -0.940)  ( 0.00,  0.00,  0.00)
175: 10       ( -2.422, -19.944, 132.061)  ( -2.392, -20.229, 130.455)  ( 1.24,  1.43,  1.22)
175:     bond    ( 18.269,   6.335,   0.967)  ( 18.273,   6.339,   0.970)  ( 0.02,  0.07,  0.23)
175:     angle   (-27.608, -36.500,  84.948)  (-27.607, -36.499,  84.949)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( 12.909,   2.314,  -3.833)  ( 12.909,   2.313,  -3.833)  ( 0.00,  0.02,  0.00)
175:     torsion (  5.991,   6.815,  25.602)  (  5.992,   6.815,  25.602)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.582,   4.956,  14.815)  (  0.605,   4.666,  13.205)  ( 1.37,  5.85, 10.86)
175:     vdw     (-13.143,  -3.558,   9.953)  (-13.143,  -3.558,   9.953)  ( 0.00,  0.00,  0.00)
175:     electro (  0.579,  -0.306,  -0.390)  (  0.579,  -0.306,  -0.390)  ( 0.00,  0.00,  0.00)
175: 11       ( 47.658, -22.934, -63.453)  ( 37.369, -23.638, -54.855)  (21.59,  3.07, 13.55)
175:     bond    (-11.073,   2.546,  -4.952)  (-11.069,   2.550,  -4.949)  ( 0.04,  0.18,  0.08)
175:     angle   ( 14.987, -10.150, -58.721)  ( 14.989, -10.148, -58.720)  ( 0.01,  0.02,  0.00)
175:     strbnd  ( 17.268, -10.877,  11.808)  ( 17.267, -10.878,  11.807)  ( 0.00,  0.01,  0.01)
175:     torsion (  6.129,   3.198,  15.790)  (  6.129,   3.198,  15.790)  ( 0.00,  0.00,  0.00)
175:     oop     ( 18.909,  -6.132, -23.821)  (  8.614,  -6.841, -15.228)  (54.44, 11.57, 36.07)
175:     vdw     (  1.389,  -2.494,  -1.281)  (  1.389,  -2.494,  -1.281)  ( 0.00,  0.00,  0.00)
175:     electro (  0.050,   0.975,  -2.276)  (  0.050,   0.975,  -2.276)  ( 0.00,  0.00,  0.00)
175: 12       ( 31.693, -14.126, -65.659)  ( 31.699, -14.121, -65.654)  ( 0.02,  0.04,  0.01)
175:     bond    (  4.025,  -3.189,  -9.311)  (  4.029,  -3.185,  -9.307)  ( 0.10,  0.12,  0.05)
175:     angle   ( 35.137, -10.001, -64.710)  ( 35.139, -10.000, -64.708)  ( 0.01,  0.02,  0.00)
175:     strbnd  ( -5.006,   4.101,  11.332)  ( -5.006,   4.101,  11.331)  ( 0.01,  0.01,  0.01)
175:     torsion ( -2.865,  -1.801,  -0.962)  ( -2.865,  -1.801,  -0.962)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.401,  -3.237,  -2.009)  (  0.401,  -3.237,  -2.009)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       (-44.560, -77.865, 136.018)  (-23.829, -75.824, 121.163)  (46.52,  2.62, 10.92)
175:     bond    ( -2.460,   4.359,  -8.933)  ( -2.456,   4.363,  -8.924)  ( 0.18,  0.08,  0.10)
175:     angle   ( 29.524, -109.944, 134.355)  ( 29.525, -109.943, 134.355)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-14.951,  10.444, -24.236)  (-14.952,  10.444, -24.237)  ( 0.01,  0.01,  0.01)
175:     torsion (  1.176,  -3.022,  -8.395)  (  1.176,  -3.022,  -8.396)  ( 0.06,  0.00,  0.01)
175:     oop     (-59.918,  23.973,  41.115)  (-39.191,  26.010,  26.252)  (34.59,  8.49, 36.15)
175:     vdw     (  2.638,  -3.488,   3.777)  (  2.638,  -3.488,   3.777)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.568,  -0.188,  -1.665)  ( -0.568,  -0.188,  -1.665)  ( 0.00,  0.00,  0.00)
175: 14       (-73.793,  -5.351, -43.764)  (-74.002,  -4.993, -43.416)  ( 0.28,  6.69,  0.79)
175:     bond    (  2.608,   8.877,  -3.192)  (  2.609,   8.883,  -3.190)  ( 0.05,  0.08,  0.06)
175:     angle   (-96.717,  12.033, -55.420)  (-96.718,  12.033, -55.421)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -4.852, -11.840,   5.276)  ( -4.852, -11.840,   5.276)  ( 0.00,  0.00,  0.00)
175:     torsion ( 10.732,   0.866,  11.025)  ( 10.727,   0.866,  11.022)  ( 0.04,  0.00,  0.03)
175:     oop     ( 12.415, -11.706,  -6.666)  ( 12.210, -11.356,  -6.316)  ( 1.65,  3.00,  5.26)
175:     vdw     (  1.533,  -1.793,   3.152)  (  1.533,  -1.793,   3.152)  ( 0.00,  0.00,  0.00)
175:     electro (  0.489,  -1.787,   2.061)  (  0.489,  -1.787,   2.061)  ( 0.00,  0.00,  0.00)
175: 15       ( 69.217, 103.058, -57.300)  ( 59.276, 101.483, -50.491)  (14.36,  1.53, 11.88)
175:     bond    (  2.268,   0.918,   3.526)  (  2.270,   0.919,   3.532)  ( 0.12,  0.04,  0.18)
175:     angle   ( 44.112, 114.284, -58.082)  ( 44.112, 114.285, -58.082)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  4.938,   2.167,   7.080)  (  4.938,   2.167,   7.080)  ( 0.01,  0.01,  0.00)
175:     torsion ( -3.970,   1.783,   2.088)  ( -3.970,   1.783,   2.088)  ( 0.00,  0.00,  0.00)
175:     oop     ( 25.969,  -6.898, -14.899)  ( 16.024,  -8.474,  -8.097)  (38.29, 22.85, 45.66)
175:     vdw     (  0.595,  -0.501,   0.672)  (  0.595,  -0.501,   0.672)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.694,  -8.696,   2.316)  ( -4.694,  -8.696,   2.316)  ( 0.00,  0.00,  0.00)
175: 16       ( 10.862,  32.599,  -5.193)  ( 10.865,  32.600,  -5.193)  ( 0.03,  0.00,  0.01)
175:     bond    ( 12.564,  -2.116,  -0.282)  ( 12.567,  -2.116,  -0.282)  ( 0.02,  0.01,  0.00)
175:     angle   (  5.837,  35.355,  -5.146)  (  5.837,  35.356,  -5.145)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -6.059,   0.924,   0.108)  ( -6.059,   0.924,   0.108)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.025,   0.048,   0.772)  (  0.025,   0.048,   0.772)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.506,  -1.612,  -0.646)  ( -1.506,  -1.612,  -0.646)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 17       ( 23.103,  21.401, -13.776)  ( 23.104,  21.402, -13.774)  ( 0.00,  0.01,  0.01)
175:     bond    (  0.013,   7.722,   8.189)  (  0.013,   7.723,   8.191)  ( 0.00,  0.02,  0.02)
175:     angle   ( 23.319,  18.754, -17.721)  ( 23.319,  18.754, -17.721)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -0.112,  -4.214,  -4.433)  ( -0.112,  -4.214,  -4.433)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.254,  -0.191,   0.179)  (  0.254,  -0.191,   0.179)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.370,  -0.670,   0.010)  ( -0.370,  -0.670,   0.010)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 18       ( 33.905,  23.432,  15.855)  ( 33.905,  23.433,  15.857)  ( 0.00,  0.01,  0.01)
175:     bond    (  0.412,   8.070,  -8.784)  (  0.412,   8.072,  -8.782)  ( 0.00,  0.02,  0.02)
175:     angle   ( 35.086,  20.894,  20.850)  ( 35.086,  20.894,  20.850)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -0.271,  -3.980,   4.289)  ( -0.271,  -3.980,   4.289)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.050,  -0.044,  -0.038)  (  0.050,  -0.044,  -0.038)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.372,  -1.509,  -0.461)  ( -1.372,  -1.509,  -0.461)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 19       (  7.842,  13.549,  15.910)  (  7.843,  13.550,  15.912)  ( 0.01,  0.01,  0.01)
175:     bond    (  4.298,  -5.557,  10.878)  (  4.298,  -5.556,  10.880)  ( 0.01,  0.01,  0.02)
175:     angle   (  5.140,  17.037,   6.669)  (  5.140,  17.038,   6.669)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.222,   0.518,  -1.052)  ( -0.222,   0.518,  -1.052)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.333,  -0.021,  -0.143)  (  0.333,  -0.021,  -0.143)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.708,   1.572,  -0.443)  ( -1.707,   1.572,  -0.443)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       ( 24.224,   9.746,   3.735)  ( 24.225,   9.747,   3.737)  ( 0.00,  0.01,  0.06)
175:     bond    (  0.205,   8.145,  12.537)  (  0.205,   8.145,  12.539)  ( 0.00,  0.01,  0.02)
175:     angle   ( 25.409,   2.588,  -2.097)  ( 25.410,   2.588,  -2.096)  ( 0.00,  0.01,  0.01)
175:     strbnd  ( -0.027,  -1.112,  -1.794)  ( -0.027,  -1.112,  -1.794)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.559,  -0.957,   0.631)  ( -0.559,  -0.957,   0.631)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.804,   1.083,  -5.542)  ( -0.804,   1.083,  -5.542)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 21       (-14.013,  -5.680, -13.049)  (-14.012,  -5.678, -13.048)  ( 0.01,  0.05,  0.00)
175:     bond    ( -4.768, -11.721,   2.019)  ( -4.767, -11.719,   2.019)  ( 0.01,  0.02,  0.01)
175:     angle   ( -9.742,   1.595, -13.739)  ( -9.741,   1.596, -13.738)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  0.618,   1.701,  -0.398)  (  0.618,   1.701,  -0.398)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.143,   0.073,   0.763)  (  0.143,   0.073,   0.763)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.264,   2.671,  -1.694)  ( -0.263,   2.671,  -1.694)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 22       (-11.466, -17.731, -34.136)  (-11.464, -17.730, -34.135)  ( 0.02,  0.00,  0.00)
175:     bond    ( 10.515,  -3.031,  -3.787)  ( 10.517,  -3.031,  -3.787)  ( 0.02,  0.01,  0.01)
175:     angle   (-17.099, -17.314, -33.631)  (-17.099, -17.314, -33.630)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -4.687,   1.352,   1.833)  ( -4.687,   1.352,   1.833)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.036,  -0.401,   0.221)  ( -0.036,  -0.401,   0.221)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.159,   1.663,   1.228)  ( -0.159,   1.663,   1.228)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       (  9.654, -14.702, -18.379)  (  9.655, -14.701, -18.377)  ( 0.01,  0.01,  0.01)
175:     bond    ( -3.691,   5.903, -11.062)  ( -3.691,   5.904, -11.060)  ( 0.01,  0.01,  0.02)
175:     angle   ( 12.954, -19.869, -14.929)  ( 12.955, -19.869, -14.929)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  1.489,  -2.332,   4.677)  (  1.489,  -2.332,   4.677)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.247,  -0.126,   0.015)  ( -0.247,  -0.126,   0.015)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.851,   1.721,   2.920)  ( -0.851,   1.721,   2.920)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       ( 14.540,  -7.004, -26.289)  ( 14.541,  -7.001, -26.288)  ( 0.01,  0.04,  0.00)
175:     bond    ( -4.182,  -9.280,  -1.526)  ( -4.182,  -9.277,  -1.526)  ( 0.01,  0.03,  0.01)
175:     angle   ( 17.244,  -3.364, -26.810)  ( 17.244,  -3.364, -26.810)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  2.112,   4.668,   0.929)  (  2.112,   4.668,   0.929)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.199,  -0.107,   0.107)  (  0.199,  -0.107,   0.107)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.832,   1.079,   1.011)  ( -0.832,   1.079,   1.011)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       ( -2.146,  11.421,  -4.557)  ( -2.080,  11.484,  -4.381)  ( 3.09,  0.55,  3.87)
175:     bond    ( -0.517,  -0.905,   0.501)  ( -0.517,  -0.903,   0.502)  ( 0.04,  0.21,  0.04)
175:     angle   ( -5.394,   1.536,  -2.786)  ( -5.394,   1.537,  -2.786)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  4.247,   7.387,  -3.525)  (  4.247,   7.387,  -3.525)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.245,   2.897,   3.928)  ( -1.245,   2.897,   3.928)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.602,  -0.657,  -1.800)  ( -0.537,  -0.596,  -1.625)  ( 3.91,  3.97,  9.75)
175:     vdw     (  1.342,   0.777,  -0.631)  (  1.342,   0.777,  -0.631)  ( 0.00,  0.00,  0.00)
175:     electro (  0.023,   0.386,  -0.243)  (  0.023,   0.386,  -0.243)  ( 0.00,  0.00,  0.00)
175: 26       (  8.264,  -9.314, -14.985)  (  7.913,  -9.070, -14.378)  ( 4.25,  2.62,  4.05)
175:     bond    (  0.510,   0.130,   0.247)  (  0.513,   0.130,   0.248)  ( 0.15,  0.00,  0.02)
175:     angle   ( -0.687,  -4.473,   3.772)  ( -0.687,  -4.472,   3.772)  ( 0.00,  0.01,  0.00)
175:     strbnd  ( -3.764,  -0.803,  -0.766)  ( -3.764,  -0.803,  -0.766)  ( 0.00,  0.00,  0.01)
175:     torsion (  8.777,  -3.424, -16.387)  (  8.777,  -3.424, -16.387)  ( 0.00,  0.00,  0.00)
175:     oop     (  1.606,  -0.922,  -2.844)  (  1.252,  -0.679,  -2.237)  (22.07, 22.40, 21.34)
175:     vdw     (  1.106,  -0.058,   0.139)  (  1.106,  -0.058,   0.139)  ( 0.00,  0.00,  0.00)
175:     electro (  0.715,   0.236,   0.855)  (  0.715,   0.236,   0.855)  ( 0.00,  0.00,  0.00)
175: 27       ( -9.529,  -0.985,   0.936)  ( -8.994,  -0.277,   0.839)  ( 5.61, 69.82,  9.15)
175:     bond    ( -0.257,   0.039,  -1.081)  ( -0.257,   0.039,  -1.078)  ( 0.01,  0.00,  0.33)
175:     angle   ( -2.751,   5.638,   0.859)  ( -2.751,   5.638,   0.859)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.092,   0.684,  -4.568)  ( -0.092,   0.685,  -4.568)  ( 0.00,  0.00,  0.00)
175:     torsion ( -4.710,  -4.641,   0.953)  ( -4.710,  -4.641,   0.953)  ( 0.00,  0.00,  0.00)
175:     oop     ( -2.117,  -3.288,   0.385)  ( -1.584,  -2.580,   0.284)  (25.20, 21.55,  3.90)
175:     vdw     ( -0.554,   0.339,   2.803)  ( -0.554,   0.339,   2.803)  ( 0.00,  0.00,  0.00)
175:     electro (  0.953,   0.243,   1.585)  (  0.953,   0.243,   1.585)  ( 0.00,  0.00,  0.00)
175: 28       (-35.688,  35.118, -12.756)  (-35.489,  35.165, -12.454)  ( 0.56,  0.13,  2.37)
175:     bond    ( -0.608,  -0.110,   0.410)  ( -0.606,  -0.110,   0.411)  ( 0.16,  0.00,  0.05)
175:     angle   (-20.084,  33.989, -20.477)  (-20.083,  33.989, -20.477)  ( 0.00,  0.00,  0.00)
175:     strbnd  (-11.144,  -1.712,   8.116)  (-11.144,  -1.712,   8.116)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.403,   5.730,  -0.531)  ( -1.403,   5.730,  -0.531)  ( 0.00,  0.00,  0.00)
175:     oop     ( -1.298,  -1.456,  -2.303)  ( -1.102,  -1.410,  -2.002)  (15.09,  3.14, 13.07)
175:     vdw     ( -0.679,  -1.424,   2.000)  ( -0.679,  -1.424,   2.000)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.472,   0.102,   0.028)  ( -0.472,   0.102,   0.028)  ( 0.00,  0.00,  0.00)
175: 29       (  6.269,   4.842,  17.665)  (  6.271,   4.844,  17.666)  ( 0.04,  0.03,  0.00)
175:     bond    ( 13.347,   7.815,   1.928)  ( 13.349,   7.816,   1.928)  ( 0.02,  0.01,  0.01)
175:     angle   ( -3.942,   1.678,  20.486)  ( -3.942,   1.679,  20.487)  ( 0.01,  0.03,  0.00)
175:     strbnd  ( -1.485,  -0.391,  -0.372)  ( -1.485,  -0.391,  -0.372)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.296,   0.484,   0.090)  ( -0.296,   0.484,   0.090)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.355,  -4.745,  -4.467)  ( -1.355,  -4.744,  -4.467)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       ( -8.350,   0.131,  25.967)  ( -8.349,   0.134,  25.968)  ( 0.01,  0.04,  0.00)
175:     bond    ( -1.481,  11.557,   2.165)  ( -1.481,  11.560,   2.165)  ( 0.01,  0.03,  0.01)
175:     angle   ( -9.788,  -6.150,  26.139)  ( -9.788,  -6.150,  26.139)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  0.626,  -4.365,  -1.021)  (  0.626,  -4.365,  -1.021)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.782,   0.049,   0.957)  (  1.782,   0.049,   0.957)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.511,  -0.961,  -2.273)  (  0.511,  -0.961,  -2.273)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 31       (-14.899,  11.820,  16.748)  (-14.898,  11.820,  16.750)  ( 0.01,  0.01,  0.01)
175:     bond    (  5.176,  -2.757,  10.225)  (  5.177,  -2.757,  10.227)  ( 0.01,  0.01,  0.02)
175:     angle   (-19.241,  13.946,  13.498)  (-19.241,  13.947,  13.498)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -2.072,   1.072,  -4.471)  ( -2.072,   1.072,  -4.471)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.541,   0.941,  -0.020)  (  0.541,   0.941,  -0.020)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.698,  -1.382,  -2.484)  (  0.698,  -1.382,  -2.484)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 32       ( -4.993,  10.176,  24.023)  ( -4.991,  10.177,  24.024)  ( 0.05,  0.01,  0.00)
175:     bond    (-10.690,  -3.803,   2.337)  (-10.687,  -3.803,   2.338)  ( 0.02,  0.01,  0.01)
175:     angle   (  0.606,  13.614,  24.917)  (  0.606,  13.614,  24.917)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  3.553,   1.168,  -0.972)  (  3.553,   1.168,  -0.972)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.030,   0.061,  -0.037)  ( -0.030,   0.061,  -0.037)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.567,  -0.863,  -2.222)  (  1.567,  -0.863,  -2.222)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 33       ( 19.334, -14.895, -24.368)  ( 19.332, -14.890, -24.369)  ( 0.01,  0.03,  0.00)
175:     bond    ( -4.753, -12.511,   5.560)  ( -4.753, -12.507,   5.561)  ( 0.01,  0.03,  0.01)
175:     angle   ( 21.861, -17.415, -20.481)  ( 21.860, -17.414, -20.482)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  2.809,   8.054,  -3.331)  (  2.809,   8.054,  -3.331)  ( 0.00,  0.00,  0.00)
175:     torsion ( -6.332,  -0.435,  -6.389)  ( -6.334,  -0.435,  -6.390)  ( 0.02,  0.00,  0.02)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.007,   0.074,  -0.052)  (  0.007,   0.074,  -0.052)  ( 0.00,  0.00,  0.00)
175:     electro (  5.743,   7.338,   0.326)  (  5.743,   7.338,   0.326)  ( 0.00,  0.00,  0.00)
175: ok 30 # gradients 
175: ok 31 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175/223 Test #176: test_ffmmff94_2 ..................   Passed    0.97 sec
test 177
        Start 177: test_ffmmff94_3

177: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ffmmff94" "3"
177: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
177: Environment variables: 
177:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
177:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
177: Test timeout computed to be: 1500
175:  1       ( -0.056,  -0.051,   0.261)  ( -0.002,   0.035,   0.079)  ( 0.30,  0.44,  4.74)
175:     bond    (  6.922,   0.175,   2.287)  (  6.926,   0.180,   2.292)  ( 0.06,  0.08,  0.20)
175:     angle   ( -5.931,   2.410,   0.271)  ( -5.930,   2.412,   0.272)  ( 0.03,  0.08,  0.04)
175:     strbnd  (  0.198,   0.872,   0.213)  (  0.197,   0.872,   0.213)  ( 0.01,  0.04,  0.01)
175:     torsion (  0.668,  -0.373,  -2.325)  (  0.668,  -0.373,  -2.325)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.334,  -0.538,   1.283)  ( -0.285,  -0.457,   1.096)  ( 1.63,  4.32, 14.61)
175:     vdw     ( -0.832,  -1.739,  -0.997)  ( -0.832,  -1.739,  -0.997)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.746,  -0.859,  -0.471)  ( -0.746,  -0.859,  -0.471)  ( 0.00,  0.00,  0.00)
175:  2       (  0.014,   0.361,  -0.764)  ( -0.121,   0.105,  -0.143)  ( 0.18,  9.21, 47.41)
175:     bond    ( -2.739,   1.957,  -0.129)  ( -2.733,   1.965,  -0.128)  ( 0.24,  0.42,  0.02)
175:     angle   ( 14.443,  -7.136,   1.147)  ( 14.446,  -7.134,   1.148)  ( 0.02,  0.02,  0.06)
175:     strbnd  ( -7.334,   6.670,   1.385)  ( -7.335,   6.668,   1.385)  ( 0.01,  0.03,  0.02)
175:     torsion ( -0.037,   0.168,   0.014)  ( -0.037,   0.168,   0.014)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.865,   1.488,  -3.541)  (  0.722,   1.224,  -2.922)  (12.35, 17.72, 17.47)
175:     vdw     ( -4.625,  -1.230,  -1.537)  ( -4.625,  -1.230,  -1.537)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.559,  -1.556,   1.897)  ( -0.559,  -1.556,   1.897)  ( 0.00,  0.00,  0.00)
175:  3       ( -0.029,  -0.024,   0.069)  ( -0.028,  -0.021,   0.070)  ( 0.00,  0.01,  0.00)
175:     bond    (  0.134,   0.394,  -0.032)  (  0.135,   0.397,  -0.032)  ( 0.00,  0.12,  0.00)
175:     angle   (  1.589,  -0.626,  -1.067)  (  1.590,  -0.626,  -1.067)  ( 0.03,  0.00,  0.04)
175:     strbnd  (  0.319,   0.162,   0.070)  (  0.319,   0.162,   0.070)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.341,   0.212,   1.185)  ( -0.341,   0.212,   1.185)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.730,  -0.167,  -0.086)  ( -1.730,  -0.167,  -0.086)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  4       (  0.009,  -0.000,   0.009)  (  0.010,   0.001,   0.011)  ( 0.00,  0.00,  0.00)
175:     bond    (  0.230,  -0.232,  -0.242)  (  0.231,  -0.231,  -0.241)  ( 0.03,  0.03,  0.03)
175:     angle   (  3.596,   2.214,   1.320)  (  3.596,   2.214,   1.320)  ( 0.01,  0.01,  0.02)
175:     strbnd  (  0.657,  -0.379,  -0.320)  (  0.657,  -0.379,  -0.320)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.004,   0.023,  -0.019)  (  0.004,   0.023,  -0.019)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.478,  -1.627,  -0.730)  ( -4.478,  -1.627,  -0.730)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       ( -0.022,  -0.019,   0.016)  ( -0.022,  -0.018,   0.019)  ( 0.00,  0.00,  0.01)
175:     bond    (  0.002,  -0.007,   0.018)  (  0.002,  -0.007,   0.021)  ( 0.00,  0.00,  0.01)
175:     angle   (  0.435,  -0.097,  -0.074)  (  0.436,  -0.096,  -0.074)  ( 0.02,  0.00,  0.00)
175:     strbnd  (  0.316,  -0.158,   0.593)  (  0.316,  -0.158,   0.593)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.046,   0.322,   0.110)  ( -0.046,   0.322,   0.110)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.730,  -0.080,  -0.631)  ( -0.730,  -0.080,  -0.631)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  6       ( -0.046,  -0.324,   0.524)  (  0.044,  -0.163,   0.161)  ( 0.41,  5.19, 19.00)
175:     bond    ( -2.835,   3.345,   0.762)  ( -2.831,   3.350,   0.763)  ( 0.13,  0.16,  0.02)
175:     angle   ( -1.494,  -1.139,  -0.542)  ( -1.493,  -1.138,  -0.541)  ( 0.03,  0.02,  0.01)
175:     strbnd  (  7.239,  -8.454,  -1.930)  (  7.239,  -8.454,  -1.930)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.143,   0.217,  -0.423)  (  0.143,   0.217,  -0.423)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.410,  -0.742,   1.739)  ( -0.325,  -0.588,   1.376)  ( 3.49, 11.48, 20.89)
175:     vdw     ( -4.309,  -6.669,  -2.520)  ( -4.309,  -6.669,  -2.520)  ( 0.00,  0.00,  0.00)
175:     electro (  1.620,  13.118,   3.437)  (  1.620,  13.118,   3.437)  ( 0.00,  0.00,  0.00)
175:  7       (  0.163,   0.254,  -0.307)  (  0.096,   0.140,  -0.063)  ( 1.10,  2.91,  7.49)
175:     bond    ( 17.866,  -2.904,   4.744)  ( 17.871,  -2.899,   4.745)  ( 0.03,  0.18,  0.03)
175:     angle   ( -8.512,  -0.397,  -1.184)  ( -8.510,  -0.396,  -1.183)  ( 0.02,  0.07,  0.06)
175:     strbnd  (  0.437,  -1.121,  -0.832)  (  0.437,  -1.122,  -0.833)  ( 0.02,  0.06,  0.02)
175:     torsion ( -1.343,  -1.618,   4.839)  ( -1.343,  -1.618,   4.840)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.386,   0.773,  -1.451)  (  0.312,   0.652,  -1.209)  ( 2.86,  9.34, 16.66)
175:     vdw     (  1.892,   2.121,   0.955)  (  1.893,   2.121,   0.955)  ( 0.01,  0.00,  0.00)
175:     electro (-10.563,   3.402,  -7.378)  (-10.563,   3.402,  -7.378)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.072,  -0.167,   0.304)  ( -0.035,  -0.084,   0.148)  ( 0.26,  1.38,  4.74)
175:     bond    ( -1.088,   0.983,   0.272)  ( -1.086,   0.985,   0.272)  ( 0.24,  0.21,  0.00)
175:     angle   ( -1.860,  -1.398,  -2.356)  ( -1.859,  -1.398,  -2.356)  ( 0.02,  0.02,  0.01)
175:     strbnd  ( -0.431,   2.009,   1.109)  ( -0.431,   2.009,   1.109)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.178,   0.549,  -1.277)  (  0.178,   0.549,  -1.277)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.244,  -0.585,   1.144)  ( -0.210,  -0.505,   0.988)  ( 0.82,  4.70, 13.65)
175:     vdw     (  1.404,   2.236,   1.130)  (  1.404,   2.236,   1.130)  ( 0.00,  0.00,  0.00)
175:     electro (  1.969,  -3.962,   0.282)  (  1.969,  -3.962,   0.282)  ( 0.00,  0.00,  0.00)
175:  9       ( -0.704,  -0.671,  -0.056)  (  0.394,   0.371,   0.139)  (77.26, 69.84,  1.09)
175:     bond    ( -7.812,  -8.638,  -5.588)  ( -7.808,  -8.633,  -5.586)  ( 0.05,  0.05,  0.04)
175:     angle   ( 12.778,  11.374,  19.741)  ( 12.780,  11.376,  19.743)  ( 0.02,  0.02,  0.01)
175:     strbnd  (  4.362,   3.842,  -7.340)  (  4.361,   3.842,  -7.341)  ( 0.02,  0.02,  0.01)
175:     torsion ( -1.339,  -2.456,  -4.051)  ( -1.339,  -2.456,  -4.051)  ( 0.00,  0.00,  0.00)
175:     oop     ( -4.513,  -5.190,  -1.298)  ( -3.420,  -4.155,  -1.107)  (24.21, 19.95, 14.74)
175:     vdw     (  0.230,   3.142,   1.240)  (  0.230,   3.143,   1.240)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.410,  -2.746,  -2.761)  ( -4.410,  -2.746,  -2.761)  ( 0.00,  0.00,  0.00)
175: 10       ( -0.145,   0.204,   0.151)  ( -0.062,   0.014,  -0.015)  ( 1.21,  3.88,  2.49)
175:     bond    ( -0.630,   1.775,  12.572)  ( -0.627,   1.778,  12.577)  ( 0.18,  0.16,  0.04)
175:     angle   (  6.045,   0.014, -16.923)  (  6.048,   0.016, -16.921)  ( 0.04,  0.00,  0.01)
175:     strbnd  ( -7.393,  -1.780,  -1.355)  ( -7.394,  -1.782,  -1.356)  ( 0.01,  0.08,  0.05)
175:     torsion ( -2.978,   1.047,  -0.463)  ( -2.978,   1.047,  -0.463)  ( 0.00,  0.00,  0.00)
175:     oop     (  1.166,   3.054,   2.028)  (  1.244,   2.860,   1.857)  ( 6.76,  6.34,  8.45)
175:     vdw     (  2.417,   3.304,   0.233)  (  2.417,   3.304,   0.233)  ( 0.00,  0.00,  0.00)
175:     electro (  1.227,  -7.208,   4.059)  (  1.227,  -7.208,   4.059)  ( 0.00,  0.00,  0.00)
175: 11       ( -0.193,  -2.395,  -0.387)  (  0.210,  -0.194,   0.018)  ( 7.77, 91.89, 15.69)
175:     bond    ( 10.742,   6.592,  -1.930)  ( 10.747,   6.594,  -1.926)  ( 0.05,  0.02,  0.18)
175:     angle   ( -4.937, -17.076,   7.817)  ( -4.936, -17.075,   7.819)  ( 0.04,  0.01,  0.03)
175:     strbnd  ( -1.830,  -0.656,   3.895)  ( -1.830,  -0.657,   3.894)  ( 0.03,  0.03,  0.01)
175:     torsion (  5.970,  14.380,  -7.419)  (  5.971,  14.380,  -7.419)  ( 0.00,  0.00,  0.00)
175:     oop     ( -6.219, -17.227,  -5.679)  ( -5.823, -15.030,  -5.279)  ( 6.37, 12.76,  7.04)
175:     vdw     ( -1.251,   1.961,   1.619)  ( -1.251,   1.961,   1.619)  ( 0.01,  0.00,  0.00)
175:     electro ( -2.668,   9.632,   1.310)  ( -2.668,   9.632,   1.309)  ( 0.00,  0.00,  0.00)
175: 12       ( -0.015,  -0.043,  -0.016)  ( -0.014,  -0.042,  -0.013)  ( 0.00,  0.01,  0.00)
175:     bond    ( -0.064,  -0.227,  -0.383)  ( -0.063,  -0.226,  -0.380)  ( 0.00,  0.02,  0.10)
175:     angle   ( -5.122,  -0.874,   1.372)  ( -5.121,  -0.873,   1.372)  ( 0.01,  0.03,  0.01)
175:     strbnd  (  0.712,   0.432,   0.989)  (  0.712,   0.432,   0.989)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.289,  -0.711,   0.374)  (  0.289,  -0.711,   0.374)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.169,   1.337,  -2.368)  (  4.169,   1.337,  -2.368)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 13       (  0.009,  -0.036,  -0.036)  (  0.011,  -0.034,  -0.035)  ( 0.00,  0.01,  0.00)
175:     bond    (  7.080, -17.260,   8.482)  (  7.081, -17.259,   8.482)  ( 0.02,  0.01,  0.00)
175:     angle   ( -5.148,   2.623,  -1.308)  ( -5.148,   2.624,  -1.307)  ( 0.00,  0.03,  0.05)
175:     strbnd  ( -0.387,   6.300,  -1.373)  ( -0.387,   6.299,  -1.373)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.837,   0.450,   0.871)  (  0.837,   0.450,   0.871)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.152,   6.289,  -6.678)  ( -2.152,   6.289,  -6.677)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.220,   1.563,  -0.030)  ( -0.220,   1.563,  -0.030)  ( 0.00,  0.00,  0.00)
175: 14       (  3.917,   5.394,   1.410)  ( -0.341,   0.047,  -0.005)  (108.71, 99.13, 100.32)
175:     bond    (  1.728,   7.650, -26.617)  (  1.731,   7.651, -26.606)  ( 0.18,  0.02,  0.04)
175:     angle   (-12.444,  -3.256,  -6.802)  (-12.443,  -3.255,  -6.800)  ( 0.01,  0.03,  0.03)
175:     strbnd  ( -0.283,  -8.072,  23.375)  ( -0.284,  -8.072,  23.374)  ( 0.01,  0.00,  0.01)
175:     torsion ( -1.208,  -7.791,   2.702)  ( -1.208,  -7.791,   2.702)  ( 0.01,  0.00,  0.00)
175:     oop     ( 16.911,  22.685,   7.558)  ( 12.649,  17.335,   6.131)  (25.21, 23.58, 18.88)
175:     vdw     ( -7.544,  -1.421,   3.983)  ( -7.544,  -1.421,   3.983)  ( 0.00,  0.00,  0.00)
175:     electro (  6.757,  -4.401,  -2.789)  (  6.757,  -4.401,  -2.789)  ( 0.00,  0.00,  0.00)
175: 15       (  0.005,   0.033,  -0.033)  (  0.006,   0.036,  -0.032)  ( 0.00,  0.01,  0.00)
175:     bond    ( -0.124,  -3.231,  -0.971)  ( -0.124,  -3.228,  -0.971)  ( 0.00,  0.10,  0.03)
175:     angle   (  4.975,   0.074,  -0.882)  (  4.976,   0.074,  -0.882)  ( 0.01,  0.00,  0.04)
175:     strbnd  ( -1.156,   1.633,  -0.157)  ( -1.156,   1.633,  -0.157)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.003,  -0.118,   0.391)  ( -0.003,  -0.118,   0.391)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.688,   1.674,   1.586)  ( -3.688,   1.674,   1.586)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 16       ( -2.750,  -3.359,  -1.104)  ( -0.093,  -0.188,  -0.129)  (96.60, 94.39, 88.36)
175:     bond    ( -4.283,  -2.663,  20.496)  ( -4.282,  -2.663,  20.505)  ( 0.01,  0.00,  0.05)
175:     angle   ( -0.168,   2.881,   0.339)  ( -0.168,   2.882,   0.339)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  4.201,   1.886, -19.314)  (  4.201,   1.886, -19.314)  ( 0.00,  0.01,  0.00)
175:     torsion (  1.537,   3.049,   0.717)  (  1.537,   3.049,   0.717)  ( 0.00,  0.00,  0.00)
175:     oop     ( -7.000,  -8.683,  -2.589)  ( -4.344,  -5.513,  -1.623)  (37.94, 36.51, 37.31)
175:     vdw     ( -3.415,  -0.431,   2.105)  ( -3.415,  -0.431,   2.105)  ( 0.00,  0.00,  0.00)
175:     electro (  6.378,   0.602,  -2.858)  (  6.378,   0.602,  -2.858)  ( 0.00,  0.00,  0.00)
175: 17       (  0.022,  -0.029,  -0.074)  (  0.027,  -0.025,  -0.069)  ( 0.01,  0.01,  0.03)
175:     bond    ( -7.091,   2.130,  -1.977)  ( -7.088,   2.132,  -1.974)  ( 0.05,  0.14,  0.17)
175:     angle   (  4.462,   8.345,  -1.889)  (  4.464,   8.347,  -1.887)  ( 0.04,  0.02,  0.09)
175:     strbnd  (  3.433,  -7.634,   3.029)  (  3.432,  -7.635,   3.028)  ( 0.02,  0.01,  0.02)
175:     torsion ( -1.295,  -0.201,  -0.359)  ( -1.295,  -0.201,  -0.359)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.436,   1.064,  -0.784)  (  0.436,   1.064,  -0.784)  ( 0.00,  0.00,  0.00)
175:     electro (  0.078,  -3.732,   1.907)  (  0.078,  -3.732,   1.907)  ( 0.00,  0.00,  0.00)
175: 18       ( -0.527,   0.717,   0.247)  ( -0.131,  -0.014,  -0.098)  (20.83, 52.36,  8.52)
175:     bond    (  2.690,  -5.259,  -9.175)  (  2.694,  -5.255,  -9.171)  ( 0.14,  0.07,  0.05)
175:     angle   (  0.459,   8.749,   5.203)  (  0.461,   8.751,   5.206)  ( 0.09,  0.02,  0.04)
175:     strbnd  (  3.654,  -2.284,  -2.072)  (  3.653,  -2.285,  -2.073)  ( 0.03,  0.02,  0.02)
175:     torsion (  2.026,  -5.810,   3.568)  (  2.026,  -5.810,   3.568)  ( 0.00,  0.00,  0.00)
175:     oop     ( -2.189,   4.693,   2.103)  ( -1.798,   3.957,   1.752)  (17.86, 15.67, 16.70)
175:     vdw     (  0.057,  -1.642,   0.671)  (  0.057,  -1.642,   0.671)  ( 0.00,  0.00,  0.00)
175:     electro ( -7.224,   2.269,  -0.051)  ( -7.224,   2.269,  -0.051)  ( 0.00,  0.00,  0.00)
175: 19       (  0.014,  -0.054,   0.035)  (  0.020,  -0.048,   0.040)  ( 0.01,  0.03,  0.02)
175:     bond    ( -4.572,   7.582,   9.251)  ( -4.568,   7.586,   9.256)  ( 0.10,  0.06,  0.05)
175:     angle   (  4.311, -10.172,  -3.123)  (  4.312, -10.170,  -3.121)  ( 0.04,  0.02,  0.06)
175:     strbnd  ( -2.161,   2.017,   1.879)  ( -2.161,   2.016,   1.878)  ( 0.02,  0.03,  0.04)
175:     torsion ( -0.707,  -0.056,  -0.329)  ( -0.707,  -0.056,  -0.328)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.144,   0.575,  -7.644)  (  3.144,   0.575,  -7.644)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       (  0.055,   0.023,  -0.083)  (  0.061,   0.028,  -0.077)  ( 0.03,  0.01,  0.05)
175:     bond    ( -7.858,  -5.077,  -5.109)  ( -7.854,  -5.072,  -5.105)  ( 0.05,  0.09,  0.09)
175:     angle   (  6.358,   2.036,   6.266)  (  6.360,   2.038,   6.268)  ( 0.03,  0.09,  0.03)
175:     strbnd  ( -2.171,  -0.422,  -1.231)  ( -2.172,  -0.423,  -1.232)  ( 0.04,  0.02,  0.05)
175:     torsion (  0.971,  -0.883,  -0.568)  (  0.971,  -0.883,  -0.568)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.756,   4.369,   0.559)  (  2.756,   4.369,   0.559)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 21       (  1.073,   0.070,  -0.862)  (  0.111,  -0.108,  -0.067)  (89.62,  1.25, 68.53)
175:     bond    ( -7.303,  18.452,  -4.755)  ( -7.301,  18.461,  -4.751)  ( 0.03,  0.05,  0.10)
175:     angle   ( 11.493, -17.158,   1.980)  ( 11.494, -17.156,   1.981)  ( 0.01,  0.01,  0.07)
175:     strbnd  ( -4.739,   3.053,  -5.420)  ( -4.739,   3.052,  -5.421)  ( 0.01,  0.04,  0.02)
175:     torsion ( -1.507,   0.152,   2.650)  ( -1.507,   0.152,   2.650)  ( 0.01,  0.00,  0.00)
175:     oop     (  5.247,   1.013,  -4.389)  (  4.282,   0.825,  -3.599)  (18.39, 18.57, 18.00)
175:     vdw     ( -2.898,  -4.553,   6.605)  ( -2.898,  -4.553,   6.605)  ( 0.00,  0.00,  0.00)
175:     electro (  0.780,  -0.889,   2.467)  (  0.780,  -0.889,   2.467)  ( 0.00,  0.00,  0.00)
175: 22       (  0.011,   0.068,   0.026)  (  0.012,   0.070,   0.029)  ( 0.00,  0.01,  0.01)
175:     bond    (  0.328,  -2.247,  -3.859)  (  0.328,  -2.246,  -3.857)  ( 0.00,  0.04,  0.06)
175:     angle   ( -0.121,   1.446,  -0.853)  ( -0.120,   1.446,  -0.853)  ( 0.01,  0.03,  0.01)
175:     strbnd  (  0.002,   0.481,   0.353)  (  0.002,   0.481,   0.353)  ( 0.00,  0.00,  0.00)
175:     torsion ( -2.329,  -0.221,  -0.069)  ( -2.329,  -0.221,  -0.069)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.131,   0.609,   4.454)  (  2.131,   0.609,   4.454)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       ( -0.191,  -0.011,   0.189)  (  0.002,   0.035,   0.026)  ( 3.69,  0.05,  3.08)
175:     bond    (  2.346,  -0.713,   2.597)  (  2.348,  -0.708,   2.600)  ( 0.09,  0.35,  0.10)
175:     angle   ( -9.647,   2.693,  -9.181)  ( -9.647,   2.694,  -9.181)  ( 0.00,  0.05,  0.00)
175:     strbnd  (  2.977,   2.363,   3.838)  (  2.977,   2.363,   3.837)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.013,   0.016,  -0.011)  (  0.013,   0.016,  -0.011)  ( 0.00,  0.00,  0.00)
175:     oop     ( -1.579,  -0.309,   1.374)  ( -1.388,  -0.270,   1.208)  (12.09,  1.23, 12.08)
175:     vdw     (  1.642,  -3.834,   1.605)  (  1.642,  -3.834,   1.605)  ( 0.00,  0.00,  0.00)
175:     electro (  4.057,  -0.227,  -0.032)  (  4.057,  -0.227,  -0.032)  ( 0.00,  0.00,  0.00)
175: 24       (  0.004,   0.003,  -0.053)  (  0.005,   0.004,  -0.052)  ( 0.00,  0.00,  0.01)
175:     bond    ( -1.196,   1.182,  -0.827)  ( -1.194,   1.183,  -0.827)  ( 0.12,  0.11,  0.05)
175:     angle   ( -1.332,  -1.852,  -0.728)  ( -1.331,  -1.852,  -0.727)  ( 0.02,  0.02,  0.03)
175:     strbnd  (  0.241,  -1.027,   0.189)  (  0.241,  -1.026,   0.189)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.038,   0.002,   0.057)  ( -0.038,   0.002,   0.057)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.329,   1.697,   1.256)  (  2.329,   1.697,   1.256)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       ( -0.012,  -0.040,  -0.043)  ( -0.010,  -0.039,  -0.041)  ( 0.00,  0.01,  0.01)
175:     bond    ( -1.200,  -1.265,   1.435)  ( -1.199,  -1.264,   1.436)  ( 0.08,  0.08,  0.10)
175:     angle   ( -2.311,  -0.524,  -2.391)  ( -2.311,  -0.524,  -2.391)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -0.046,   0.131,  -0.817)  ( -0.046,   0.131,  -0.817)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.070,  -0.086,  -0.017)  (  0.070,  -0.086,  -0.017)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.476,   1.704,   1.748)  (  3.476,   1.704,   1.748)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       (  0.017,   0.031,  -0.062)  (  0.018,   0.032,  -0.060)  ( 0.00,  0.00,  0.01)
175:     bond    (  0.799,  -1.340,  -1.580)  (  0.799,  -1.338,  -1.578)  ( 0.04,  0.09,  0.11)
175:     angle   ( -3.338,  -0.613,  -1.171)  ( -3.337,  -0.613,  -1.171)  ( 0.01,  0.02,  0.02)
175:     strbnd  ( -0.745,   0.134,   0.227)  ( -0.745,   0.134,   0.227)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.007,  -0.067,   0.060)  (  0.007,  -0.067,   0.060)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.293,   1.916,   2.401)  (  3.293,   1.916,   2.401)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 27       ( -0.029,  -0.013,  -0.016)  ( -0.027,  -0.011,  -0.015)  ( 0.01,  0.00,  0.00)
175:     bond    ( -1.391,   1.340,  -0.747)  ( -1.389,   1.342,  -0.747)  ( 0.11,  0.11,  0.03)
175:     angle   ( -1.015,   0.530,   2.839)  ( -1.015,   0.530,   2.840)  ( 0.02,  0.01,  0.02)
175:     strbnd  (  0.553,  -0.368,   1.021)  (  0.553,  -0.368,   1.021)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.250,  -0.232,   0.047)  ( -0.250,  -0.232,   0.047)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.074,  -1.282,  -3.176)  (  2.074,  -1.282,  -3.176)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 28       ( -0.034,  -0.055,  -0.010)  ( -0.032,  -0.053,  -0.008)  ( 0.01,  0.01,  0.00)
175:     bond    (  1.317,   0.998,   0.899)  (  1.318,   0.999,   0.900)  ( 0.13,  0.10,  0.07)
175:     angle   ( -2.910,   1.945,   2.102)  ( -2.910,   1.946,   2.102)  ( 0.01,  0.02,  0.02)
175:     strbnd  ( -0.799,   0.069,   0.229)  ( -0.799,   0.069,   0.229)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.012,   0.069,  -0.059)  ( -0.012,   0.069,  -0.059)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.371,  -3.136,  -3.182)  (  2.371,  -3.135,  -3.182)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 29       ( -0.014,  -0.055,  -0.036)  ( -0.012,  -0.054,  -0.034)  ( 0.00,  0.01,  0.01)
175:     bond    ( -1.198,  -1.403,   1.700)  ( -1.197,  -1.402,   1.701)  ( 0.06,  0.08,  0.09)
175:     angle   ( -1.824,   2.897,   1.105)  ( -1.823,   2.897,   1.105)  ( 0.02,  0.01,  0.02)
175:     strbnd  (  0.202,   1.021,  -0.133)  (  0.202,   1.021,  -0.133)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.274,  -0.031,   0.167)  (  0.274,  -0.031,   0.167)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.531,  -2.539,  -2.875)  (  2.532,  -2.539,  -2.875)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 30       ( -0.010,   0.057,   0.047)  ( -0.010,   0.062,   0.047)  ( 0.00,  0.03,  0.00)
175:     bond    ( -0.177,   0.738,  -0.096)  ( -0.177,   0.743,  -0.096)  ( 0.01,  0.36,  0.00)
175:     angle   (  8.417,   3.317,  10.163)  (  8.417,   3.317,  10.163)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  0.382,  -1.272,   0.256)  (  0.382,  -1.272,   0.256)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.882,   0.111,  -0.766)  (  0.882,   0.111,  -0.766)  ( 0.01,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.106,   0.075,   0.091)  (  0.106,   0.075,   0.091)  ( 0.00,  0.00,  0.00)
175:     electro ( -9.620,  -2.911,  -9.600)  ( -9.620,  -2.911,  -9.600)  ( 0.00,  0.00,  0.00)
175: 31       ( -0.560,   0.014,   0.551)  ( -0.085,   0.116,   0.170)  (26.59,  0.14, 20.99)
175:     bond    ( -0.691,  -2.922,  -1.578)  ( -0.691,  -2.915,  -1.576)  ( 0.03,  0.24,  0.13)
175:     angle   (-11.279,   8.740, -11.218)  (-11.279,   8.740, -11.218)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( -0.400,   0.562,  -0.346)  ( -0.400,   0.562,  -0.346)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.438,  -0.113,   0.402)  ( -0.438,  -0.113,   0.402)  ( 0.00,  0.00,  0.00)
175:     oop     ( -2.089,  -0.433,   1.715)  ( -1.615,  -0.338,   1.332)  (22.71,  4.11, 22.34)
175:     vdw     (  1.193,  -3.724,   0.966)  (  1.193,  -3.724,   0.966)  ( 0.00,  0.00,  0.00)
175:     electro ( 13.145,  -2.096,  10.610)  ( 13.145,  -2.096,  10.610)  ( 0.00,  0.00,  0.00)
175: ok 32 # gradients 
175: ok 33 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( -0.009,   0.002,  -0.005)  ( -0.001,   0.005,   0.001)  ( 0.01,  0.00,  0.00)
175:     bond    (  9.838,  -1.834,   0.007)  (  9.844,  -1.832,   0.011)  ( 0.07,  0.10,  0.00)
175:     angle   (  6.646,  -1.255,  -0.018)  (  6.648,  -1.254,  -0.017)  ( 0.03,  0.05,  0.00)
175:     strbnd  ( -3.095,   0.579,   0.001)  ( -3.095,   0.579,   0.001)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,   0.001,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (-12.705,   2.379,   0.009)  (-12.705,   2.379,   0.009)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.694,   0.130,   0.001)  ( -0.694,   0.130,   0.001)  ( 0.00,  0.00,  0.00)
175:  2       ( -0.094,  -0.071,  -0.108)  ( -0.084,  -0.054,  -0.110)  ( 0.09,  0.12,  0.02)
175:     bond    ( 15.243,  -7.110,  -6.312)  ( 15.248,  -7.108,  -6.308)  ( 0.04,  0.03,  0.07)
175:     angle   ( -4.881,  -0.262,  -1.754)  ( -4.879,  -0.261,  -1.753)  ( 0.04,  0.02,  0.09)
175:     strbnd  ( -1.609,   1.725,   2.154)  ( -1.609,   1.725,   2.154)  ( 0.01,  0.00,  0.01)
175:     torsion (  0.015,   0.078,  -0.054)  (  0.015,   0.079,  -0.054)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.015,  -0.078,   0.052)  ( -0.012,  -0.066,   0.044)  ( 0.00,  0.10,  0.04)
175:     vdw     ( -8.822,   6.095,   6.582)  ( -8.822,   6.095,   6.582)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.025,  -0.518,  -0.776)  ( -0.025,  -0.518,  -0.776)  ( 0.00,  0.00,  0.00)
175:  3       (  0.182,  -0.012,  -0.057)  (  0.183,  -0.039,  -0.032)  ( 0.02,  0.03,  0.15)
175:     bond    (  0.609,  -8.879, -13.408)  (  0.614,  -8.877, -13.405)  ( 0.30,  0.02,  0.03)
175:     angle   ( -7.772,   3.135,   2.969)  ( -7.770,   3.136,   2.970)  ( 0.02,  0.03,  0.05)
175:     strbnd  (  2.453,  -0.620,  -0.234)  (  2.453,  -0.620,  -0.235)  ( 0.01,  0.01,  0.01)
175:     torsion ( -0.243,   0.162,   0.098)  ( -0.243,   0.163,   0.098)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.034,   0.181,  -0.121)  (  0.028,   0.151,  -0.101)  ( 0.02,  0.55,  0.25)
175:     vdw     (  4.751,   6.373,  11.116)  (  4.751,   6.373,  11.116)  ( 0.00,  0.00,  0.00)
175:     electro (  0.350,  -0.364,  -0.476)  (  0.350,  -0.364,  -0.476)  ( 0.00,  0.00,  0.00)
175:  4       ( -0.195,   0.032,   0.015)  ( -0.188,   0.037,   0.020)  ( 0.13,  0.02,  0.01)
175:     bond    ( -7.919,   1.496,   0.029)  ( -7.915,   1.498,   0.032)  ( 0.06,  0.11,  0.01)
175:     angle   (  7.321,  -1.377,  -0.013)  (  7.323,  -1.376,  -0.012)  ( 0.03,  0.07,  0.00)
175:     strbnd  ( -7.154,   1.339,   0.000)  ( -7.155,   1.339,   0.000)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.002,  -0.005,   0.001)  ( -0.002,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.001,  -0.007,   0.004)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.561,  -1.415,  -0.006)  (  7.562,  -1.415,  -0.006)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  5       (  0.098,  -0.057,  -0.028)  (  0.109,  -0.026,  -0.041)  ( 0.11,  0.18,  0.04)
175:     bond    (  3.740,   8.034,  13.340)  (  3.745,   8.036,  13.343)  ( 0.13,  0.02,  0.03)
175:     angle   ( -8.410,  -0.116,  -2.962)  ( -8.408,  -0.115,  -2.960)  ( 0.02,  0.01,  0.05)
175:     strbnd  (  2.516,  -0.308,   0.233)  (  2.515,  -0.309,   0.233)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.284,  -0.056,  -0.104)  ( -0.284,  -0.055,  -0.103)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.031,  -0.165,   0.109)  ( -0.025,  -0.137,   0.091)  ( 0.02,  0.46,  0.20)
175:     vdw     (  2.108,  -7.659, -11.120)  (  2.108,  -7.659, -11.120)  ( 0.00,  0.00,  0.00)
175:     electro (  0.459,   0.213,   0.476)  (  0.459,   0.213,   0.476)  ( 0.00,  0.00,  0.00)
175:  6       ( -0.017,   0.039,   0.055)  ( -0.012,   0.031,   0.069)  ( 0.01,  0.03,  0.08)
175:     bond    ( 16.822,   1.066,   6.232)  ( 16.827,   1.068,   6.236)  ( 0.03,  0.19,  0.07)
175:     angle   ( -4.438,   2.007,   1.762)  ( -4.436,   2.007,   1.763)  ( 0.05,  0.03,  0.09)
175:     strbnd  ( -2.127,  -1.024,  -2.150)  ( -2.127,  -1.024,  -2.150)  ( 0.01,  0.00,  0.01)
175:     torsion ( -0.016,  -0.084,   0.056)  ( -0.016,  -0.083,   0.056)  ( 0.00,  0.01,  0.00)
175:     oop     (  0.013,   0.071,  -0.048)  (  0.011,   0.060,  -0.040)  ( 0.00,  0.08,  0.04)
175:     vdw     (-10.436,  -2.488,  -6.572)  (-10.436,  -2.488,  -6.572)  ( 0.00,  0.00,  0.00)
175:     electro (  0.165,   0.492,   0.776)  (  0.165,   0.492,   0.776)  ( 0.00,  0.00,  0.00)
175:  7       (  0.083,   0.029,  -0.027)  (  0.090,   0.034,  -0.024)  ( 0.06,  0.02,  0.01)
175:     bond    ( -5.715,   1.120,  -0.030)  ( -5.710,   1.124,  -0.028)  ( 0.08,  0.35,  0.00)
175:     angle   ( -3.925,   0.733,   0.006)  ( -3.923,   0.734,   0.007)  ( 0.05,  0.10,  0.00)
175:     strbnd  ( 10.212,  -1.917,  -0.002)  ( 10.212,  -1.917,  -0.002)  ( 0.00,  0.01,  0.00)
175:     torsion ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.489,   0.094,  -0.002)  ( -0.488,   0.094,  -0.002)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:  8       ( -0.096,   0.024,  -0.020)  ( -0.089,   0.030,  -0.017)  ( 0.07,  0.01,  0.01)
175:     bond    ( -3.483, -12.638,   7.907)  ( -3.478, -12.633,   7.908)  ( 0.16,  0.03,  0.02)
175:     angle   (  3.798,   0.832,  -0.921)  (  3.800,   0.834,  -0.921)  ( 0.04,  0.11,  0.04)
175:     strbnd  (  1.060,  -1.300,   0.656)  (  1.060,  -1.300,   0.656)  ( 0.02,  0.01,  0.00)
175:     torsion (  0.019,   0.099,   0.166)  (  0.019,   0.099,   0.167)  ( 0.00,  0.00,  0.02)
175:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.505,  14.542,  -8.739)  ( -1.505,  14.542,  -8.739)  ( 0.01,  0.00,  0.00)
175:     electro (  0.016,  -1.510,   0.914)  (  0.016,  -1.510,   0.914)  ( 0.00,  0.00,  0.00)
175:  9       ( -0.010,  -0.087,   0.031)  ( -0.003,  -0.081,   0.034)  ( 0.01,  0.05,  0.01)
175:     bond    ( -2.492,  -7.482,   4.725)  ( -2.486,  -7.478,   4.727)  ( 0.23,  0.05,  0.03)
175:     angle   ( -4.105,  -3.933,   2.798)  ( -4.103,  -3.931,   2.798)  ( 0.04,  0.03,  0.02)
175:     strbnd  ( -4.222,   0.031,   0.453)  ( -4.222,   0.031,   0.453)  ( 0.01,  0.00,  0.00)
175:     torsion ( -0.000,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 10.835,  10.954,  -7.728)  ( 10.835,  10.954,  -7.728)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.025,   0.347,  -0.209)  ( -0.025,   0.347,  -0.209)  ( 0.00,  0.00,  0.00)
175: 10       ( -0.018,  -0.003,   0.005)  ( -0.014,   0.002,   0.008)  ( 0.01,  0.00,  0.00)
175:     bond    (-13.181,   2.472,   0.003)  (-13.178,   2.476,   0.004)  ( 0.02,  0.16,  0.00)
175:     angle   (  8.282,  -1.555,  -0.003)  (  8.284,  -1.555,  -0.003)  ( 0.02,  0.02,  0.00)
175:     strbnd  (  0.147,  -0.037,   0.005)  (  0.147,  -0.037,   0.006)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  8.264,  -1.546,  -0.006)  (  8.265,  -1.546,  -0.006)  ( 0.00,  0.00,  0.00)
175:     electro ( -3.532,   0.661,   0.003)  ( -3.532,   0.661,   0.003)  ( 0.00,  0.00,  0.00)
175: 11       ( -0.084,   0.070,  -0.048)  ( -0.077,   0.076,  -0.045)  ( 0.06,  0.04,  0.02)
175:     bond    (  0.276,   7.851,  -4.706)  (  0.282,   7.855,  -4.705)  ( 0.16,  0.05,  0.03)
175:     angle   ( -2.425,   5.161,  -2.800)  ( -2.424,   5.163,  -2.800)  ( 0.07,  0.03,  0.02)
175:     strbnd  ( -3.937,   1.510,  -0.456)  ( -3.938,   1.510,  -0.456)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
175:     vdw     (  6.153, -14.132,   7.716)  (  6.153, -14.132,   7.716)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.149,  -0.315,   0.209)  ( -0.149,  -0.315,   0.209)  ( 0.00,  0.00,  0.00)
175: 12       (  0.047,  -0.083,   0.059)  (  0.054,  -0.077,   0.061)  ( 0.03,  0.04,  0.02)
175:     bond    (  1.440,  12.965,  -7.881)  (  1.446,  12.969,  -7.880)  ( 0.38,  0.03,  0.02)
175:     angle   (  3.262,  -2.172,   0.925)  (  3.264,  -2.171,   0.925)  ( 0.05,  0.06,  0.04)
175:     strbnd  (  1.447,   0.834,  -0.660)  (  1.447,   0.834,  -0.660)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.018,  -0.096,  -0.161)  ( -0.018,  -0.095,  -0.160)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -6.645, -13.018,   8.747)  ( -6.645, -13.018,   8.747)  ( 0.00,  0.00,  0.00)
175:     electro (  0.560,   1.403,  -0.914)  (  0.560,   1.402,  -0.914)  ( 0.00,  0.00,  0.00)
175: 13       (  0.014,   0.029,  -0.012)  (  0.016,   0.031,  -0.010)  ( 0.00,  0.01,  0.00)
175:     bond    (  0.532,   0.585,  -0.410)  (  0.533,   0.587,  -0.409)  ( 0.07,  0.10,  0.03)
175:     angle   ( -1.375,   0.959,  -0.417)  ( -1.375,   0.959,  -0.417)  ( 0.03,  0.02,  0.00)
175:     strbnd  ( -0.291,   0.302,  -0.147)  ( -0.291,   0.302,  -0.147)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.002,  -0.013,  -0.021)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.001,  -0.001)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.782,  -2.146,   1.210)  (  0.782,  -2.146,   1.210)  ( 0.00,  0.00,  0.00)
175:     electro (  0.369,   0.342,  -0.225)  (  0.369,   0.342,  -0.225)  ( 0.00,  0.00,  0.00)
175: 14       (  0.014,  -0.025,   0.027)  (  0.015,  -0.022,   0.028)  ( 0.00,  0.01,  0.00)
175:     bond    ( -0.713,   1.410,  -0.761)  ( -0.713,   1.412,  -0.760)  ( 0.04,  0.17,  0.05)
175:     angle   ( -1.054,  -0.355,   0.329)  ( -1.053,  -0.355,   0.329)  ( 0.06,  0.00,  0.00)
175:     strbnd  (  0.385,   0.200,  -0.162)  (  0.385,   0.200,  -0.162)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.001,   0.005,   0.009)  (  0.001,   0.006,   0.009)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.575,  -0.404,   0.175)  (  0.575,  -0.404,   0.175)  ( 0.00,  0.00,  0.00)
175:     electro (  0.821,  -0.881,   0.436)  (  0.821,  -0.881,   0.436)  ( 0.00,  0.00,  0.00)
175: 15       ( -0.046,  -0.018,   0.011)  ( -0.038,  -0.002,   0.010)  ( 0.03,  0.03,  0.00)
175:     bond    ( -7.125,  -4.896,  -9.263)  ( -7.121,  -4.892,  -9.259)  ( 0.06,  0.09,  0.05)
175:     angle   (  6.393,   2.270,   5.666)  (  6.394,   2.272,   5.667)  ( 0.03,  0.07,  0.03)
175:     strbnd  (  0.273,  -0.725,  -1.181)  (  0.272,  -0.726,  -1.182)  ( 0.02,  0.04,  0.08)
175:     torsion (  1.289,  -0.354,  -0.774)  (  1.289,  -0.353,  -0.774)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.010,  -0.056,   0.038)  ( -0.009,  -0.047,   0.031)  ( 0.00,  0.05,  0.02)
175:     vdw     ( -0.361,   3.610,   5.432)  ( -0.361,   3.610,   5.432)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.503,   0.134,   0.095)  ( -0.503,   0.134,   0.095)  ( 0.00,  0.00,  0.00)
175: 16       (  0.036,  -0.004,   0.009)  (  0.041,  -0.003,   0.010)  ( 0.02,  0.00,  0.00)
175:     bond    ( -1.105,   0.206,   0.001)  ( -1.100,   0.206,   0.001)  ( 0.41,  0.00,  0.00)
175:     angle   (  0.001,   0.005,   0.007)  (  0.001,   0.005,   0.007)  ( 0.00,  0.00,  0.00)
175:     strbnd  (  3.048,  -0.570,  -0.001)  (  3.048,  -0.570,  -0.001)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.498,   0.093,   0.000)  ( -0.498,   0.093,   0.001)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.410,   0.264,   0.001)  ( -1.410,   0.264,   0.001)  ( 0.00,  0.00,  0.00)
175: 17       ( -0.037,   0.047,   0.071)  ( -0.035,   0.047,   0.074)  ( 0.01,  0.00,  0.02)
175:     bond    ( -0.132,   0.174,   0.223)  ( -0.131,   0.175,   0.225)  ( 0.01,  0.03,  0.05)
175:     angle   (  1.479,   0.192,   0.711)  (  1.480,   0.192,   0.711)  ( 0.05,  0.00,  0.01)
175:     strbnd  (  1.315,  -1.062,  -1.217)  (  1.315,  -1.062,  -1.217)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.011,  -0.057,   0.038)  ( -0.011,  -0.057,   0.038)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,   0.006,  -0.004)  (  0.001,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.211,   0.450,  -0.614)  ( -4.210,   0.450,  -0.614)  ( 0.00,  0.00,  0.00)
175:     electro (  1.521,   0.344,   0.934)  (  1.521,   0.344,   0.934)  ( 0.00,  0.00,  0.00)
175: 18       ( -0.041,   0.022,   0.048)  ( -0.037,   0.019,   0.060)  ( 0.02,  0.01,  0.05)
175:     bond    ( -4.885,   7.159,   9.319)  ( -4.880,   7.163,   9.323)  ( 0.09,  0.06,  0.05)
175:     angle   (  5.152,  -4.463,  -5.651)  (  5.154,  -4.462,  -5.649)  ( 0.04,  0.03,  0.03)
175:     strbnd  (  0.516,   0.583,   1.171)  (  0.515,   0.582,   1.170)  ( 0.03,  0.04,  0.08)
175:     torsion (  1.334,  -0.130,   0.768)  (  1.334,  -0.130,   0.768)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.010,   0.051,  -0.034)  (  0.008,   0.042,  -0.028)  ( 0.00,  0.04,  0.02)
175:     vdw     ( -1.650,  -3.234,  -5.431)  ( -1.650,  -3.234,  -5.431)  ( 0.01,  0.00,  0.00)
175:     electro ( -0.518,   0.057,  -0.094)  ( -0.518,   0.057,  -0.094)  ( 0.00,  0.00,  0.00)
175: 19       ( -0.026,  -0.013,  -0.044)  ( -0.024,  -0.011,  -0.042)  ( 0.01,  0.00,  0.01)
175:     bond    ( -0.161,  -0.100,  -0.195)  ( -0.159,  -0.099,  -0.193)  ( 0.03,  0.01,  0.05)
175:     angle   (  1.304,  -0.712,  -0.711)  (  1.305,  -0.712,  -0.711)  ( 0.04,  0.01,  0.01)
175:     strbnd  (  1.615,   0.513,   1.214)  (  1.615,   0.513,   1.214)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.011,   0.057,  -0.038)  (  0.011,   0.058,  -0.038)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.001,  -0.006,   0.004)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.086,   1.106,   0.619)  ( -4.086,   1.106,   0.619)  ( 0.00,  0.00,  0.00)
175:     electro (  1.292,  -0.870,  -0.936)  (  1.292,  -0.870,  -0.936)  ( 0.00,  0.00,  0.00)
175: 20       (  0.018,  -0.043,   0.008)  (  0.019,  -0.041,   0.009)  ( 0.00,  0.01,  0.00)
175:     bond    (  0.288,  -0.750,   0.412)  (  0.289,  -0.747,   0.413)  ( 0.01,  0.20,  0.03)
175:     angle   ( -1.609,  -0.393,   0.414)  ( -1.608,  -0.393,   0.414)  ( 0.04,  0.00,  0.00)
175:     strbnd  ( -0.388,  -0.178,   0.149)  ( -0.388,  -0.178,   0.149)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.002,   0.011,   0.019)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.503,   1.719,  -1.212)  (  1.503,   1.719,  -1.212)  ( 0.00,  0.00,  0.00)
175:     electro (  0.221,  -0.453,   0.225)  (  0.221,  -0.453,   0.225)  ( 0.00,  0.00,  0.00)
175: 21       (  0.039,   0.039,  -0.040)  (  0.041,   0.040,  -0.039)  ( 0.01,  0.01,  0.00)
175:     bond    ( -1.156,  -1.042,   0.748)  ( -1.154,  -1.041,   0.749)  ( 0.15,  0.13,  0.05)
175:     angle   ( -0.862,   0.717,  -0.330)  ( -0.861,   0.717,  -0.330)  ( 0.04,  0.02,  0.00)
175:     strbnd  (  0.292,  -0.327,   0.162)  (  0.292,  -0.327,   0.162)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.007)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.682,   0.169,  -0.176)  (  0.682,   0.169,  -0.176)  ( 0.00,  0.00,  0.00)
175:     electro (  1.083,   0.525,  -0.437)  (  1.083,   0.525,  -0.437)  ( 0.00,  0.00,  0.00)
175: 22       ( -0.002,  -0.011,   0.010)  ( -0.001,  -0.009,   0.011)  ( 0.00,  0.00,  0.00)
175:     bond    ( -0.526,   0.784,  -0.542)  ( -0.525,   0.786,  -0.541)  ( 0.04,  0.14,  0.05)
175:     angle   (  1.195,  -1.233,  -2.949)  (  1.195,  -1.233,  -2.949)  ( 0.03,  0.02,  0.01)
175:     strbnd  ( -0.255,  -0.588,  -0.393)  ( -0.255,  -0.588,  -0.393)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.565,  -0.064,   0.455)  ( -0.565,  -0.064,   0.455)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.149,   1.091,   3.440)  (  0.149,   1.091,   3.440)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 23       ( -0.002,  -0.011,   0.000)  ( -0.001,  -0.010,   0.001)  ( 0.00,  0.00,  0.00)
175:     bond    ( -0.710,  -0.703,   0.394)  ( -0.709,  -0.701,   0.395)  ( 0.11,  0.10,  0.02)
175:     angle   (  0.978,  -1.990,  -1.779)  (  0.979,  -1.990,  -1.778)  ( 0.03,  0.01,  0.03)
175:     strbnd  ( -0.228,  -0.099,  -0.703)  ( -0.228,  -0.099,  -0.703)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.442,   0.487,   0.072)  ( -0.442,   0.487,   0.072)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.399,   2.293,   2.016)  (  0.399,   2.293,   2.016)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 24       (  0.016,   0.004,  -0.000)  (  0.017,   0.005,   0.001)  ( 0.00,  0.00,  0.00)
175:     bond    (  0.712,  -0.619,  -0.845)  (  0.713,  -0.618,  -0.844)  ( 0.08,  0.05,  0.13)
175:     angle   ( -4.410,  -0.925,  -3.048)  ( -4.410,  -0.925,  -3.048)  ( 0.01,  0.03,  0.01)
175:     strbnd  ( -0.899,   0.082,  -0.052)  ( -0.899,   0.082,  -0.052)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.011,  -0.086,   0.054)  ( -0.011,  -0.086,   0.054)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.624,   1.552,   3.891)  (  4.624,   1.552,   3.891)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 25       (  0.015,   0.029,  -0.030)  (  0.017,   0.030,  -0.029)  ( 0.00,  0.00,  0.00)
175:     bond    ( -0.752,  -0.529,   0.528)  ( -0.750,  -0.529,   0.529)  ( 0.13,  0.05,  0.04)
175:     angle   (  1.555,   0.717,   2.924)  (  1.555,   0.718,   2.924)  ( 0.02,  0.03,  0.01)
175:     strbnd  ( -0.027,   0.641,   0.396)  ( -0.027,   0.641,   0.396)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.505,   0.263,  -0.453)  ( -0.505,   0.263,  -0.453)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.257,  -1.063,  -3.425)  ( -0.257,  -1.063,  -3.425)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 26       ( -0.016,  -0.001,  -0.020)  ( -0.014,  -0.000,  -0.018)  ( 0.00,  0.00,  0.00)
175:     bond    (  0.867,   0.313,   0.819)  (  0.869,   0.313,   0.821)  ( 0.15,  0.01,  0.12)
175:     angle   ( -3.775,   2.481,   3.047)  ( -3.775,   2.482,   3.047)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -0.869,   0.249,   0.057)  ( -0.869,   0.249,   0.057)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.019,   0.079,  -0.051)  (  0.019,   0.079,  -0.051)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.742,  -3.123,  -3.893)  (  3.742,  -3.123,  -3.893)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 27       (  0.012,  -0.017,   0.007)  (  0.013,  -0.015,   0.008)  ( 0.00,  0.00,  0.00)
175:     bond    ( -0.401,   0.886,  -0.386)  ( -0.401,   0.889,  -0.385)  ( 0.02,  0.22,  0.02)
175:     angle   (  1.642,   1.513,   1.782)  (  1.642,   1.513,   1.783)  ( 0.02,  0.01,  0.03)
175:     strbnd  ( -0.174,   0.171,   0.708)  ( -0.174,   0.170,   0.708)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.590,  -0.296,  -0.070)  ( -0.590,  -0.296,  -0.070)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.465,  -2.291,  -2.028)  ( -0.465,  -2.291,  -2.028)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 34 # gradients 
175: ok 35 # energy 
175: ----------------------------------------------------------------------------------------
175:                                                                                         
175:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
175:                                                                                         
175:                                                                                         
175: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
175: ----------------------------------------------------------------------------------------
175:  1       ( 40.017,  -0.918,  27.693)  ( 40.022,  -0.916,  27.698)  ( 0.01,  0.21,  0.02)
175:     bond    ( 17.093,   4.746,  20.403)  ( 17.097,   4.747,  20.407)  ( 0.02,  0.02,  0.02)
175:     angle   ( 10.823,  -6.670,  -7.661)  ( 10.824,  -6.668,  -7.659)  ( 0.02,  0.03,  0.02)
175:     strbnd  ( -1.302,  -1.496,  -3.384)  ( -1.303,  -1.496,  -3.384)  ( 0.04,  0.04,  0.02)
175:     torsion ( -0.752,  -0.481,  -0.404)  ( -0.752,  -0.481,  -0.404)  ( 0.01,  0.01,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.697,   3.940,   6.118)  (  2.697,   3.940,   6.118)  ( 0.00,  0.00,  0.00)
175:     electro ( 11.458,  -0.958,  12.621)  ( 11.458,  -0.958,  12.621)  ( 0.00,  0.00,  0.00)
175:  2       (-31.059,   8.802,  24.651)  (-31.053,   8.807,  24.657)  ( 0.02,  0.06,  0.02)
175:     bond    (-27.113,  -0.560,   3.022)  (-27.109,  -0.556,   3.026)  ( 0.02,  0.22,  0.12)
175:     angle   (-10.986,   1.327,   1.389)  (-10.984,   1.329,   1.391)  ( 0.02,  0.14,  0.17)
175:     strbnd  (  6.026,   1.292,   2.785)  (  6.025,   1.291,   2.784)  ( 0.02,  0.04,  0.03)
175:     torsion (  0.387,   2.102,   1.063)  (  0.387,   2.103,   1.063)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.974,  -1.076,   6.259)  ( -5.974,  -1.076,   6.260)  ( 0.00,  0.00,  0.00)
175:     electro (  6.602,   5.716,  10.133)  (  6.602,   5.716,  10.133)  ( 0.00,  0.00,  0.00)
175:  3       (-13.765, -13.920,  11.801)  (-13.759, -13.915,  11.806)  ( 0.04,  0.04,  0.04)
175:     bond    ( -2.739,  -3.315,  12.969)  ( -2.735,  -3.311,  12.974)  ( 0.14,  0.12,  0.03)
175:     angle   (  0.437, -11.359,  -0.705)  (  0.439, -11.357,  -0.703)  ( 0.09,  0.02,  0.14)
175:     strbnd  (  1.387,   2.155,  -8.533)  (  1.387,   2.154,  -8.535)  ( 0.02,  0.03,  0.02)
175:     torsion ( -2.416,   1.078,   0.854)  ( -2.416,   1.078,   0.855)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -6.807,  -1.527,   6.510)  ( -6.807,  -1.527,   6.510)  ( 0.00,  0.00,  0.00)
175:     electro ( -3.627,  -0.951,   0.706)  ( -3.627,  -0.951,   0.706)  ( 0.00,  0.00,  0.00)
175:  4       (-10.095,   5.283, -11.576)  (-10.089,   5.286, -11.570)  ( 0.05,  0.05,  0.05)
175:     bond    (  0.949,  -2.282,   0.268)  (  0.953,  -2.280,   0.273)  ( 0.43,  0.06,  0.13)
175:     angle   (  0.591,  21.684,   6.844)  (  0.593,  21.686,   6.845)  ( 0.09,  0.01,  0.02)
175:     strbnd  (  1.406,  -5.851,  -0.013)  (  1.406,  -5.852,  -0.014)  ( 0.04,  0.01,  0.00)
175:     torsion (  0.184,  -1.989,  -0.339)  (  0.185,  -1.989,  -0.339)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -5.463,  -3.294,  -7.182)  ( -5.463,  -3.294,  -7.182)  ( 0.00,  0.00,  0.00)
175:     electro ( -7.762,  -2.986, -11.154)  ( -7.762,  -2.986, -11.154)  ( 0.00,  0.00,  0.00)
175:  5       ( 15.784,  -6.823, -14.411)  ( 15.790,  -6.817, -14.405)  ( 0.03,  0.08,  0.04)
175:     bond    ( 13.334,   0.629,  -1.309)  ( 13.339,   0.633,  -1.305)  ( 0.04,  0.25,  0.29)
175:     angle   (  2.816, -10.985,  -2.204)  (  2.818, -10.983,  -2.202)  ( 0.07,  0.02,  0.10)
175:     strbnd  ( -8.882,  -0.451,   0.327)  ( -8.883,  -0.452,   0.326)  ( 0.02,  0.02,  0.01)
175:     torsion (  0.798,   1.843,  -1.911)  (  0.798,   1.843,  -1.911)  ( 0.00,  0.01,  0.01)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.392,   1.990,  -5.711)  (  7.392,   1.990,  -5.711)  ( 0.00,  0.00,  0.00)
175:     electro (  0.327,   0.152,  -3.602)  (  0.327,   0.152,  -3.602)  ( 0.00,  0.00,  0.00)
175:  6       ( 23.240,  20.461, -25.217)  ( 23.246,  20.467, -25.212)  ( 0.03,  0.03,  0.02)
175:     bond    (  5.775,   7.666, -25.091)  (  5.778,   7.670, -25.086)  ( 0.07,  0.05,  0.02)
175:     angle   (  1.263,   4.370, -10.670)  (  1.265,   4.372, -10.668)  ( 0.18,  0.05,  0.02)
175:     strbnd  (  1.829,   0.313,   6.376)  (  1.828,   0.312,   6.375)  ( 0.03,  0.02,  0.02)
175:     torsion (  2.320,   0.305,   0.903)  (  2.321,   0.305,   0.903)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  7.013,   1.540,  -5.601)  (  7.013,   1.540,  -5.601)  ( 0.00,  0.00,  0.00)
175:     electro (  5.041,   6.267,   8.866)  (  5.041,   6.267,   8.865)  ( 0.00,  0.00,  0.00)
175:  7       ( -5.321,  -8.169,  -8.288)  ( -5.316,  -8.164,  -8.283)  ( 0.11,  0.07,  0.07)
175:     bond    ( -5.766,  -6.148,  -8.390)  ( -5.762,  -6.144,  -8.385)  ( 0.07,  0.07,  0.05)
175:     angle   ( -0.655,  -5.211,  -2.282)  ( -0.653,  -5.209,  -2.280)  ( 0.12,  0.03,  0.08)
175:     strbnd  (  5.025,   4.822,   7.145)  (  5.024,   4.821,   7.144)  ( 0.01,  0.02,  0.01)
175:     torsion (  0.524,  -0.894,   0.352)  (  0.524,  -0.894,   0.352)  ( 0.00,  0.01,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -4.384,  -0.621,  -5.255)  ( -4.383,  -0.621,  -5.255)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.066,  -0.117,   0.141)  ( -0.066,  -0.117,   0.141)  ( 0.00,  0.00,  0.00)
175:  8       ( -6.827,  14.475,  22.925)  ( -6.821,  14.475,  22.975)  ( 0.08,  0.00,  0.22)
175:     bond    ( 11.385, -12.341, -10.198)  ( 11.388, -12.332, -10.191)  ( 0.03,  0.07,  0.07)
175:     angle   (-32.172,  28.633,  36.543)  (-32.169,  28.635,  36.546)  ( 0.01,  0.01,  0.01)
175:     strbnd  ( 23.556,  -6.610,  -5.451)  ( 23.555,  -6.611,  -5.452)  ( 0.00,  0.02,  0.02)
175:     torsion (  0.338,  -1.851,   0.344)  (  0.338,  -1.851,   0.344)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.005,   0.056,  -0.231)  ( -0.004,   0.046,  -0.190)  ( 0.00,  0.06,  0.96)
175:     vdw     (  1.478,   1.254,   4.534)  (  1.478,   1.254,   4.535)  ( 0.01,  0.00,  0.00)
175:     electro (-11.406,   5.334,  -2.617)  (-11.406,   5.334,  -2.617)  ( 0.00,  0.00,  0.00)
175:  9       (  5.719, -19.054, -11.028)  (  5.721, -19.052, -11.021)  ( 0.03,  0.01,  0.06)
175:     bond    (  1.485,   1.600,  -4.386)  (  1.486,   1.600,  -4.380)  ( 0.05,  0.05,  0.14)
175:     angle   (  5.763, -17.078,  -4.285)  (  5.764, -17.078,  -4.285)  ( 0.01,  0.00,  0.00)
175:     strbnd  ( -0.447,  -2.536,   3.420)  ( -0.447,  -2.536,   3.420)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.480,   0.079,   0.191)  (  0.480,   0.079,   0.191)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.856,   0.959,   2.952)  (  1.856,   0.959,   2.952)  ( 0.00,  0.00,  0.00)
175:     electro ( -3.417,  -2.078,  -8.920)  ( -3.417,  -2.078,  -8.920)  ( 0.00,  0.00,  0.00)
175: 10       ( 10.482,  -6.063, -18.767)  ( 10.483,  -6.056, -18.766)  ( 0.01,  0.12,  0.01)
175:     bond    (  0.309,  -3.128,   0.485)  (  0.309,  -3.121,   0.485)  ( 0.00,  0.24,  0.01)
175:     angle   ( 15.756,  -0.811, -15.260)  ( 15.757,  -0.811, -15.259)  ( 0.00,  0.00,  0.01)
175:     strbnd  (  0.664,   2.939,  -1.490)  (  0.664,   2.939,  -1.490)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.106,  -0.157,  -0.307)  ( -1.106,  -0.157,  -0.307)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.387,   3.365,   2.847)  ( -2.387,   3.365,   2.847)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.755,  -8.271,  -5.043)  ( -2.755,  -8.271,  -5.043)  ( 0.00,  0.00,  0.00)
175: 11       (-10.638,  -8.900,  -5.709)  (-10.635,  -8.866,  -5.820)  ( 0.03,  0.38,  1.94)
175:     bond    ( -6.709,   1.922,   1.059)  ( -6.705,   1.927,   1.060)  ( 0.06,  0.26,  0.04)
175:     angle   ( 24.355, -15.184, -15.338)  ( 24.357, -15.182, -15.338)  ( 0.01,  0.01,  0.00)
175:     strbnd  (-18.936,   1.986,   0.297)  (-18.936,   1.986,   0.297)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.305,  -0.296,   4.647)  (  0.305,  -0.296,   4.648)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.009,  -0.160,   0.679)  (  0.007,  -0.133,   0.566)  ( 0.00,  0.43,  7.65)
175:     vdw     ( -9.578,   2.904,   3.010)  ( -9.577,   2.904,   3.010)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.085,  -0.071,  -0.064)  ( -0.085,  -0.071,  -0.064)  ( 0.00,  0.00,  0.00)
175: 12       (-21.260,  -0.793,  -2.235)  (-21.252,  -0.800,  -2.173)  ( 0.04,  0.56,  2.79)
175:     bond    (  1.922,   0.917,   0.032)  (  1.927,   0.922,   0.032)  ( 0.28,  0.47,  0.00)
175:     angle   ( -9.984,   2.922,   1.064)  ( -9.983,   2.923,   1.065)  ( 0.02,  0.05,  0.01)
175:     strbnd  (-10.267,   7.335,   1.838)  (-10.267,   7.335,   1.838)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.034,   0.453,  -2.054)  ( -0.034,   0.453,  -2.053)  ( 0.00,  0.00,  0.06)
175:     oop     ( -0.004,   0.086,  -0.378)  ( -0.003,   0.072,  -0.317)  ( 0.00,  0.12,  2.29)
175:     vdw     ( -6.756, -10.594,  -1.657)  ( -6.755, -10.594,  -1.657)  ( 0.00,  0.00,  0.00)
175:     electro (  3.862,  -1.910,  -1.080)  (  3.862,  -1.910,  -1.080)  ( 0.00,  0.00,  0.00)
175: 13       ( 11.035, -18.539,  -9.258)  ( 11.043, -18.545,  -9.206)  ( 0.07,  0.03,  0.56)
175:     bond    (  3.557,   7.206,   1.481)  (  3.562,   7.211,   1.482)  ( 0.15,  0.07,  0.03)
175:     angle   (  3.498, -21.802,  -5.738)  (  3.500, -21.801,  -5.738)  ( 0.04,  0.01,  0.00)
175:     strbnd  ( 11.124,   5.598,   1.224)  ( 11.124,   5.598,   1.224)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.010,   0.214,  -0.783)  ( -0.010,   0.214,  -0.782)  ( 0.00,  0.00,  0.10)
175:     oop     ( -0.007,   0.075,  -0.292)  ( -0.006,   0.062,  -0.242)  ( 0.00,  0.09,  1.46)
175:     vdw     ( -8.946,  -9.231,  -4.972)  ( -8.946,  -9.231,  -4.972)  ( 0.00,  0.00,  0.00)
175:     electro (  1.819,  -0.598,  -0.177)  (  1.819,  -0.598,  -0.177)  ( 0.00,  0.00,  0.00)
175: 14       (-13.572,  -2.062,   4.766)  (-13.566,  -2.037,   4.696)  ( 0.04,  1.21,  1.46)
175:     bond    (-26.978,  13.126,   4.300)  (-26.972,  13.131,   4.300)  ( 0.02,  0.03,  0.01)
175:     angle   (-18.118,  -9.493,   4.254)  (-18.116,  -9.491,   4.254)  ( 0.01,  0.02,  0.00)
175:     strbnd  ( 29.827,  -3.579,  -1.396)  ( 29.826,  -3.579,  -1.395)  ( 0.00,  0.00,  0.01)
175:     torsion ( -0.134,  -1.037,   2.744)  ( -0.134,  -1.037,   2.746)  ( 0.00,  0.01,  0.04)
175:     oop     (  0.011,  -0.106,   0.410)  (  0.009,  -0.087,   0.339)  ( 0.00,  0.20,  2.94)
175:     vdw     (  1.699,  -1.418,  -5.301)  (  1.699,  -1.418,  -5.301)  ( 0.01,  0.01,  0.00)
175:     electro (  0.121,   0.445,  -0.246)  (  0.121,   0.445,  -0.246)  ( 0.00,  0.00,  0.00)
175: 15       ( 12.500, -13.787,  -4.766)  ( 12.462, -13.787,  -4.588)  ( 0.30,  0.01,  3.74)
175:     bond    ( -5.136, -10.558,  -3.032)  ( -5.131, -10.553,  -3.032)  ( 0.09,  0.04,  0.02)
175:     angle   (  2.758, -11.175,   3.017)  (  2.760, -11.174,   3.017)  ( 0.07,  0.02,  0.00)
175:     strbnd  (  9.858,  -2.806,  -1.156)  (  9.859,  -2.806,  -1.156)  ( 0.00,  0.00,  0.01)
175:     torsion ( -0.006,   0.855,  -3.398)  ( -0.006,   0.855,  -3.397)  ( 0.00,  0.01,  0.04)
175:     oop     (  0.274,   0.043,  -1.066)  (  0.229,   0.036,  -0.889)  ( 1.23,  0.03, 16.55)
175:     vdw     (  6.480,   9.337,   1.077)  (  6.480,   9.337,   1.077)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.729,   0.517,  -0.209)  ( -1.729,   0.517,  -0.209)  ( 0.00,  0.00,  0.00)
175: 16       (-16.865,  18.909,   6.325)  (-16.857,  18.931,   6.271)  ( 0.04,  0.12,  0.85)
175:     bond    (  8.237,  -4.438,  -0.410)  (  8.242,  -4.433,  -0.410)  ( 0.06,  0.11,  0.02)
175:     angle   (-15.113,  19.214,   5.231)  (-15.111,  19.215,   5.231)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -4.665,  -2.331,  -0.554)  ( -4.666,  -2.331,  -0.554)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.007,   0.399,  -1.363)  (  0.007,   0.399,  -1.362)  ( 0.00,  0.00,  0.09)
175:     oop     ( -0.002,  -0.093,   0.333)  ( -0.001,  -0.078,   0.278)  ( 0.00,  0.14,  1.84)
175:     vdw     ( -7.680,   8.051,   3.527)  ( -7.680,   8.051,   3.527)  ( 0.00,  0.00,  0.00)
175:     electro (  2.351,  -1.893,  -0.439)  (  2.351,  -1.893,  -0.439)  ( 0.00,  0.00,  0.00)
175: 17       ( -6.733,  21.609,   7.933)  ( -6.728,  21.608,   7.955)  ( 0.08,  0.00,  0.28)
175:     bond    (  2.115,   1.161,  -0.091)  (  2.119,   1.164,  -0.091)  ( 0.20,  0.31,  0.00)
175:     angle   ( 25.721,  28.686,   2.043)  ( 25.721,  28.687,   2.043)  ( 0.00,  0.00,  0.01)
175:     strbnd  (-34.795,  -0.918,   2.926)  (-34.795,  -0.918,   2.926)  ( 0.00,  0.00,  0.01)
175:     torsion (  0.088,  -0.609,   5.097)  (  0.088,  -0.609,   5.098)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.003,   0.029,  -0.113)  ( -0.002,   0.024,  -0.092)  ( 0.00,  0.02,  0.25)
175:     vdw     (  0.333,  -8.190,  -5.814)  (  0.333,  -8.190,  -5.813)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.192,   1.450,   3.884)  ( -0.192,   1.450,   3.884)  ( 0.00,  0.00,  0.00)
175: 18       (  5.790, -10.626,  -8.101)  (  5.796, -10.620,  -8.095)  ( 0.10,  0.05,  0.07)
175:     bond    (  8.725, -11.934,  -3.140)  (  8.729, -11.929,  -3.136)  ( 0.04,  0.04,  0.13)
175:     angle   ( -9.764,  -7.159,  -6.067)  ( -9.762,  -7.157,  -6.065)  ( 0.02,  0.03,  0.03)
175:     strbnd  ( -5.015,  10.337,   3.735)  ( -5.015,  10.336,   3.735)  ( 0.00,  0.02,  0.02)
175:     torsion ( -0.197,   1.065,  -2.228)  ( -0.197,   1.065,  -2.228)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( 10.854,  -1.808,   0.220)  ( 10.854,  -1.808,   0.220)  ( 0.00,  0.00,  0.00)
175:     electro (  1.186,  -1.127,  -0.621)  (  1.186,  -1.127,  -0.621)  ( 0.00,  0.00,  0.00)
175: 19       (  3.262, -11.126,   7.782)  (  3.268, -11.121,   7.787)  ( 0.17,  0.05,  0.06)
175:     bond    (  1.121,  -2.081,   3.281)  (  1.125,  -2.077,   3.285)  ( 0.37,  0.19,  0.12)
175:     angle   ( -4.420,  -2.772,   7.469)  ( -4.418,  -2.771,   7.471)  ( 0.04,  0.06,  0.02)
175:     strbnd  (  0.275,   1.768,  -3.446)  (  0.274,   1.768,  -3.447)  ( 0.01,  0.03,  0.03)
175:     torsion (  2.173,  -4.215,  -2.094)  (  2.173,  -4.215,  -2.094)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.113,  -3.826,   2.573)  (  4.113,  -3.826,   2.573)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 20       ( -7.022,  36.733,  -5.283)  ( -6.843,  36.719,  -5.733)  ( 2.56,  0.04,  8.53)
175:     bond    (-25.048,  -5.303,  -9.231)  (-25.043,  -5.295,  -9.230)  ( 0.02,  0.16,  0.01)
175:     angle   ( 27.154,  45.020,   3.962)  ( 27.157,  45.022,   3.962)  ( 0.01,  0.01,  0.00)
175:     strbnd  ( -8.325,   2.343,  -3.287)  ( -8.326,   2.342,  -3.287)  ( 0.01,  0.03,  0.00)
175:     torsion ( -0.784,   0.421,   0.853)  ( -0.784,   0.421,   0.855)  ( 0.01,  0.00,  0.10)
175:     oop     ( -1.005,   0.148,   2.652)  ( -0.833,   0.123,   2.200)  (17.14,  0.37, 17.06)
175:     vdw     ( -7.531,  -5.686,  -2.010)  ( -7.531,  -5.686,  -2.010)  ( 0.00,  0.00,  0.00)
175:     electro (  8.518,  -0.209,   1.778)  (  8.518,  -0.209,   1.778)  ( 0.00,  0.00,  0.00)
175: 21       (-22.969,  25.239, -11.051)  (-22.997,  25.251, -10.962)  ( 0.12,  0.05,  0.80)
175:     bond    (  1.411,  -0.192,   0.529)  (  1.413,  -0.184,   0.530)  ( 0.16,  0.16,  0.02)
175:     angle   (-46.884,  20.267, -18.839)  (-46.882,  20.268, -18.839)  ( 0.00,  0.00,  0.00)
175:     strbnd  ( 12.752,   3.510,   4.513)  ( 12.751,   3.510,   4.513)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.598,   0.098,   1.696)  ( -0.597,   0.098,   1.697)  ( 0.01,  0.00,  0.05)
175:     oop     (  0.246,  -0.028,  -0.654)  (  0.213,  -0.025,  -0.567)  ( 0.80,  0.01,  5.70)
175:     vdw     (  4.514,   7.067,  -1.941)  (  4.514,   7.067,  -1.941)  ( 0.00,  0.00,  0.00)
175:     electro (  5.590,  -5.484,   3.645)  (  5.590,  -5.484,   3.645)  ( 0.00,  0.00,  0.00)
175: 22       ( 25.973,  -4.939,  11.390)  ( 25.954,  -4.927,  11.463)  ( 0.08,  0.25,  0.64)
175:     bond    (  5.877,  -7.278,   2.737)  (  5.883,  -7.273,   2.738)  ( 0.10,  0.07,  0.03)
175:     angle   ( 43.794,  -7.031,  17.104)  ( 43.796,  -7.028,  17.104)  ( 0.00,  0.03,  0.00)
175:     strbnd  (-22.680,  -3.722,  -8.477)  (-22.681,  -3.722,  -8.477)  ( 0.00,  0.01,  0.00)
175:     torsion (  0.130,  -0.036,  -0.336)  (  0.130,  -0.036,  -0.335)  ( 0.00,  0.00,  0.04)
175:     oop     (  0.109,  -0.020,  -0.288)  (  0.082,  -0.015,  -0.218)  ( 0.29,  0.01,  2.03)
175:     vdw     ( -2.056,  15.026,   0.263)  ( -2.056,  15.026,   0.263)  ( 0.00,  0.00,  0.00)
175:     electro (  0.800,  -1.878,   0.388)  (  0.800,  -1.878,   0.388)  ( 0.00,  0.00,  0.00)
175: 23       (-28.137, -37.839,  -8.334)  (-28.148, -37.828,  -8.283)  ( 0.04,  0.03,  0.61)
175:     bond    ( -0.604, -30.983,   1.773)  ( -0.599, -30.977,   1.774)  ( 0.32,  0.02,  0.05)
175:     angle   (-36.863, -14.117, -12.692)  (-36.861, -14.115, -12.691)  ( 0.01,  0.01,  0.00)
175:     strbnd  (  7.549,   3.290,   2.655)  (  7.548,   3.290,   2.655)  ( 0.01,  0.03,  0.01)
175:     torsion (  0.142,  -0.020,  -0.374)  (  0.142,  -0.020,  -0.373)  ( 0.00,  0.00,  0.04)
175:     oop     (  0.061,  -0.009,  -0.157)  (  0.042,  -0.006,  -0.109)  ( 0.11,  0.00,  0.76)
175:     vdw     (  4.758,   7.545,   1.424)  (  4.758,   7.546,   1.424)  ( 0.00,  0.00,  0.00)
175:     electro ( -3.179,  -3.546,  -0.964)  ( -3.179,  -3.546,  -0.964)  ( 0.00,  0.00,  0.00)
175: 24       (-10.794,  46.348,  -6.929)  (-10.714,  46.344,  -7.100)  ( 0.74,  0.01,  2.47)
175:     bond    ( -7.128,  36.476,  -5.032)  ( -7.118,  36.481,  -5.030)  ( 0.14,  0.02,  0.03)
175:     angle   (  3.045,   5.260,   0.441)  (  3.047,   5.262,   0.441)  ( 0.07,  0.05,  0.02)
175:     strbnd  (  3.284,   4.936,   0.917)  (  3.283,   4.934,   0.917)  ( 0.03,  0.02,  0.03)
175:     torsion ( -0.021,  -0.004,   0.079)  ( -0.021,  -0.004,   0.080)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.326,   0.056,   0.831)  ( -0.258,   0.044,   0.657)  ( 2.23,  0.06, 14.42)
175:     vdw     (  3.476,  -4.869,   1.621)  (  3.476,  -4.869,   1.621)  ( 0.00,  0.00,  0.00)
175:     electro (-13.123,   4.494,  -5.786)  (-13.123,   4.494,  -5.786)  ( 0.00,  0.00,  0.00)
175: 25       (  3.373, -52.861,   6.703)  (  3.261, -52.831,   7.013)  ( 3.32,  0.06,  4.61)
175:     bond    (  8.283,   2.133,   2.726)  (  8.290,   2.140,   2.727)  ( 0.08,  0.31,  0.03)
175:     angle   ( -6.422, -45.385,   1.001)  ( -6.420, -45.383,   1.001)  ( 0.02,  0.01,  0.03)
175:     strbnd  (-10.186,  -7.939,  -3.501)  (-10.187,  -7.938,  -3.501)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.679,  -0.052,  -1.804)  (  0.679,  -0.052,  -1.802)  ( 0.01,  0.00,  0.06)
175:     oop     (  0.701,  -0.126,  -1.797)  (  0.581,  -0.105,  -1.490)  ( 8.39,  0.25, 17.08)
175:     vdw     (  8.959,  -7.735,   8.017)  (  8.959,  -7.735,   8.017)  ( 0.00,  0.01,  0.00)
175:     electro (  1.360,   6.242,   2.061)  (  1.360,   6.242,   2.061)  ( 0.00,  0.00,  0.00)
175: 26       (-24.717, -18.946,  -4.036)  (-24.728, -18.935,  -3.986)  ( 0.04,  0.06,  1.24)
175:     bond    (-24.696,   9.518, -10.388)  (-24.690,   9.523, -10.387)  ( 0.03,  0.05,  0.01)
175:     angle   ( -7.991, -22.014,  -4.231)  ( -7.989, -22.012,  -4.230)  ( 0.02,  0.01,  0.01)
175:     strbnd  (  7.348,  -6.906,   2.805)  (  7.348,  -6.906,   2.805)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.081,  -0.067,  -0.270)  (  0.081,  -0.067,  -0.270)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.110,  -0.023,  -0.279)  (  0.091,  -0.019,  -0.231)  ( 0.20,  0.01,  1.33)
175:     vdw     (  0.759,  -0.386,   8.493)  (  0.759,  -0.386,   8.493)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.328,   0.932,  -0.167)  ( -0.328,   0.932,  -0.167)  ( 0.00,  0.00,  0.00)
175: 27       ( 43.032,  25.104,  14.730)  ( 43.049,  25.107,  14.703)  ( 0.04,  0.01,  0.19)
175:     bond    ( 18.803,  -4.833,   7.511)  ( 18.809,  -4.830,   7.512)  ( 0.03,  0.06,  0.01)
175:     angle   ( 18.124,  40.689,   3.688)  ( 18.124,  40.692,   3.688)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  3.463, -10.759,   2.073)  (  3.463, -10.760,   2.073)  ( 0.01,  0.01,  0.00)
175:     torsion (  0.026,  -0.003,  -0.071)  (  0.026,  -0.003,  -0.071)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.076,   0.016,   0.200)  ( -0.065,   0.014,   0.171)  ( 0.09,  0.00,  0.58)
175:     vdw     (  0.932,  -1.439,   0.904)  (  0.932,  -1.439,   0.904)  ( 0.01,  0.00,  0.00)
175:     electro (  1.760,   1.432,   0.427)  (  1.760,   1.432,   0.427)  ( 0.00,  0.00,  0.00)
175: 28       ( 11.894, -38.621,   7.172)  ( 11.897, -38.613,   7.186)  ( 0.02,  0.02,  0.20)
175:     bond    ( 10.457,  12.301,   2.949)  ( 10.462,  12.307,   2.950)  ( 0.05,  0.05,  0.03)
175:     angle   ( -9.168, -55.992,   0.592)  ( -9.166, -55.990,   0.592)  ( 0.03,  0.00,  0.03)
175:     strbnd  ( 10.254,   8.892,   3.121)  ( 10.253,   8.891,   3.121)  ( 0.01,  0.01,  0.00)
175:     torsion ( -0.078,   0.016,   0.208)  ( -0.078,   0.016,   0.209)  ( 0.00,  0.00,  0.01)
175:     oop     (  0.033,  -0.007,  -0.088)  (  0.029,  -0.006,  -0.076)  ( 0.02,  0.00,  0.11)
175:     vdw     (  0.152,   1.397,  -0.108)  (  0.152,   1.397,  -0.108)  ( 0.00,  0.00,  0.00)
175:     electro (  0.245,  -5.228,   0.497)  (  0.245,  -5.228,   0.497)  ( 0.00,  0.00,  0.00)
175: 29       ( 12.404,   3.421,   4.782)  ( 12.393,   3.426,   4.831)  ( 0.09,  0.14,  1.01)
175:     bond    (  4.738,  -2.006,   1.986)  (  4.745,  -2.005,   1.987)  ( 0.15,  0.06,  0.06)
175:     angle   (  4.344,  11.246,   0.976)  (  4.344,  11.247,   0.976)  ( 0.00,  0.01,  0.00)
175:     strbnd  (  8.204,  -1.157,   3.293)  (  8.204,  -1.157,   3.293)  ( 0.00,  0.02,  0.00)
175:     torsion ( -0.055,   0.010,   0.143)  ( -0.055,   0.010,   0.143)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.076,  -0.012,  -0.195)  (  0.058,  -0.009,  -0.148)  ( 0.14,  0.00,  0.91)
175:     vdw     ( -0.237,  -3.506,   0.148)  ( -0.237,  -3.506,   0.148)  ( 0.00,  0.00,  0.00)
175:     electro ( -4.665,  -1.154,  -1.568)  ( -4.665,  -1.154,  -1.568)  ( 0.00,  0.00,  0.00)
175: 30       ( -0.901,  29.900,  -2.380)  ( -0.892,  29.905,  -2.388)  ( 0.85,  0.02,  0.32)
175:     bond    ( -4.277,   0.277,  -1.598)  ( -4.272,   0.282,  -1.594)  ( 0.12,  0.12,  0.27)
175:     angle   ( 12.189,  27.647,   2.441)  ( 12.190,  27.649,   2.443)  ( 0.02,  0.01,  0.06)
175:     strbnd  (-12.899,  -0.004,  -4.802)  (-12.901,  -0.005,  -4.803)  ( 0.02,  0.00,  0.01)
175:     torsion ( -0.029,  -0.010,   0.078)  ( -0.029,  -0.010,   0.078)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.021,   0.004,   0.055)  ( -0.016,   0.003,   0.042)  ( 0.01,  0.00,  0.07)
175:     vdw     (  2.572,   3.686,   0.693)  (  2.572,   3.686,   0.693)  ( 0.00,  0.00,  0.00)
175:     electro (  1.563,  -1.700,   0.754)  (  1.563,  -1.700,   0.754)  ( 0.00,  0.00,  0.00)
175: 31       ( -2.541,  -1.390,   5.410)  ( -2.521,  -1.388,   5.379)  ( 0.76,  0.19,  0.57)
175:     bond    (  2.316,  -1.013,   0.462)  (  2.320,  -1.009,   0.466)  ( 0.17,  0.39,  0.18)
175:     angle   ( -1.033,  -3.283,   3.719)  ( -1.030,  -3.281,   3.721)  ( 0.20,  0.06,  0.05)
175:     strbnd  ( -1.912,   0.920,  -0.790)  ( -1.913,   0.919,  -0.791)  ( 0.04,  0.06,  0.08)
175:     torsion ( -0.089,   0.197,   0.525)  ( -0.089,   0.197,   0.525)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.059,   0.012,   0.150)  ( -0.045,   0.010,   0.114)  ( 0.08,  0.00,  0.53)
175:     vdw     ( -0.575,   2.524,   1.662)  ( -0.575,   2.524,   1.662)  ( 0.00,  0.00,  0.00)
175:     electro ( -1.188,  -0.749,  -0.319)  ( -1.188,  -0.749,  -0.319)  ( 0.00,  0.00,  0.00)
175: 32       ( -0.533,   9.885,  -5.279)  ( -0.528,   9.891,  -5.275)  ( 0.30,  0.05,  0.09)
175:     bond    ( -0.397,   0.967,   0.156)  ( -0.393,   0.971,   0.160)  ( 0.16,  0.37,  0.06)
175:     angle   (  1.310,   8.321,  -3.491)  (  1.312,   8.323,  -3.489)  ( 0.14,  0.02,  0.06)
175:     strbnd  (  0.932,  -1.664,  -0.673)  (  0.932,  -1.665,  -0.674)  ( 0.03,  0.04,  0.07)
175:     torsion ( -1.283,   1.507,   0.186)  ( -1.282,   1.508,   0.186)  ( 0.01,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.096,   0.754,  -1.457)  ( -1.096,   0.754,  -1.457)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 33       ( -0.762,  -6.186,  -6.819)  ( -0.756,  -6.181,  -6.814)  ( 0.42,  0.08,  0.08)
175:     bond    ( -0.257,   0.740,  -0.064)  ( -0.253,   0.744,  -0.060)  ( 0.11,  0.30,  0.03)
175:     angle   ( -0.057,  -7.999,  -0.743)  ( -0.055,  -7.998,  -0.742)  ( 0.01,  0.02,  0.13)
175:     strbnd  ( -0.135,   0.372,   0.957)  ( -0.135,   0.371,   0.957)  ( 0.01,  0.03,  0.07)
175:     torsion (  0.594,   0.454,  -0.563)  (  0.594,   0.454,  -0.563)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.907,   0.247,  -6.406)  ( -0.907,   0.247,  -6.406)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 34       (  3.845, -11.220,   1.372)  (  3.846, -11.218,   1.373)  ( 0.03,  0.02,  0.05)
175:     bond    (  5.169, -14.116,   0.695)  (  5.169, -14.113,   0.695)  ( 0.01,  0.02,  0.01)
175:     angle   (  3.342,   1.196,  -0.586)  (  3.343,   1.196,  -0.585)  ( 0.02,  0.01,  0.03)
175:     strbnd  ( -1.346,  -0.265,  -0.102)  ( -1.346,  -0.265,  -0.102)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.449,   0.094,  -1.417)  (  0.449,   0.094,  -1.417)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.769,   1.870,   2.782)  ( -3.769,   1.870,   2.782)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 35       (  3.186,   4.348, -12.560)  (  3.187,   4.349, -12.557)  ( 0.03,  0.02,  0.02)
175:     bond    (  3.564,   5.536, -13.771)  (  3.564,   5.537, -13.769)  ( 0.01,  0.01,  0.02)
175:     angle   (  4.272,   0.896,   1.466)  (  4.273,   0.896,   1.466)  ( 0.01,  0.04,  0.01)
175:     strbnd  ( -1.404,  -0.280,   0.081)  ( -1.404,  -0.280,   0.081)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.176,  -0.765,  -0.353)  ( -0.176,  -0.765,  -0.353)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -3.070,  -1.039,   0.017)  ( -3.070,  -1.039,   0.017)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 36       ( 12.939,  -0.809,   0.266)  ( 12.942,  -0.808,   0.266)  ( 0.02,  0.05,  0.02)
175:     bond    ( 14.948,  -0.872,  -2.186)  ( 14.951,  -0.871,  -2.186)  ( 0.02,  0.01,  0.01)
175:     angle   ( -0.194,  -0.295,  -1.209)  ( -0.194,  -0.294,  -1.209)  ( 0.00,  0.01,  0.05)
175:     strbnd  ( -0.620,   0.104,   0.833)  ( -0.620,   0.104,   0.833)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.055,   0.235,   0.284)  (  0.055,   0.235,   0.284)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.250,   0.018,   2.544)  ( -1.250,   0.018,   2.544)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 37       ( -3.970,  10.635,   0.243)  ( -3.969,  10.638,   0.244)  ( 0.02,  0.03,  0.02)
175:     bond    ( -3.964,  14.301,  -1.740)  ( -3.964,  14.304,  -1.740)  ( 0.01,  0.02,  0.01)
175:     angle   (  0.591,  -0.040,  -1.679)  (  0.592,  -0.040,  -1.678)  ( 0.03,  0.00,  0.03)
175:     strbnd  (  0.204,  -0.463,   0.799)  (  0.204,  -0.463,   0.799)  ( 0.00,  0.00,  0.00)
175:     torsion (  1.285,   0.262,  -0.775)  (  1.285,   0.262,  -0.775)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.086,  -3.424,   3.639)  ( -2.086,  -3.424,   3.639)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 38       ( -0.865,  -4.190,  12.257)  ( -0.865,  -4.189,  12.259)  ( 0.07,  0.02,  0.02)
175:     bond    ( -3.389,  -5.369,  13.737)  ( -3.388,  -5.369,  13.739)  ( 0.01,  0.01,  0.02)
175:     angle   ( -1.029,  -0.520,  -0.457)  ( -1.029,  -0.520,  -0.457)  ( 0.05,  0.02,  0.00)
175:     strbnd  (  0.813,   0.452,  -0.424)  (  0.813,   0.452,  -0.424)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.168,   0.305,   0.160)  (  0.168,   0.305,   0.160)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.572,   0.942,  -0.759)  (  2.572,   0.942,  -0.759)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 39       ( -2.366,  11.043,  -1.302)  ( -2.365,  11.045,  -1.301)  ( 0.04,  0.02,  0.05)
175:     bond    ( -5.175,  13.998,  -0.756)  ( -5.174,  14.001,  -0.756)  ( 0.01,  0.02,  0.01)
175:     angle   ( -1.747,  -0.629,   0.301)  ( -1.746,  -0.629,   0.301)  ( 0.03,  0.00,  0.01)
175:     strbnd  (  0.846,  -0.285,   0.215)  (  0.846,  -0.285,   0.215)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.933,  -0.284,   1.129)  ( -0.933,  -0.284,   1.129)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  4.643,  -1.758,  -2.190)  (  4.643,  -1.758,  -2.190)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 40       (-14.084,   0.166,   1.101)  (-14.081,   0.167,   1.102)  ( 0.02,  0.01,  0.07)
175:     bond    (-15.161,   0.766,   2.378)  (-15.158,   0.766,   2.378)  ( 0.02,  0.01,  0.01)
175:     angle   (  0.632,  -0.293,   4.123)  (  0.632,  -0.293,   4.124)  ( 0.00,  0.01,  0.01)
175:     strbnd  (  0.268,   0.146,  -1.361)  (  0.268,   0.146,  -1.361)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.102,  -0.786,  -0.394)  ( -0.102,  -0.786,  -0.394)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.279,   0.334,  -3.644)  (  0.280,   0.334,  -3.644)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 41       (  4.171, -11.140,   1.325)  (  4.172, -11.137,   1.325)  ( 0.02,  0.02,  0.06)
175:     bond    (  4.150, -14.362,   1.795)  (  4.150, -14.360,   1.795)  ( 0.01,  0.02,  0.01)
175:     angle   ( -1.040,   0.213,   4.111)  ( -1.039,   0.213,   4.111)  ( 0.04,  0.00,  0.01)
175:     strbnd  (  0.104,   0.125,  -1.337)  (  0.104,   0.125,  -1.337)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.377,  -0.373,   0.198)  ( -1.377,  -0.373,   0.198)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.335,   3.257,  -3.441)  (  2.335,   3.257,  -3.441)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 42       ( -4.567,  10.654,  -2.215)  ( -4.567,  10.656,  -2.215)  ( 0.02,  0.03,  0.03)
175:     bond    ( -3.731,  13.029,  -0.572)  ( -3.730,  13.032,  -0.572)  ( 0.01,  0.02,  0.00)
175:     angle   (  1.346,   0.459,   1.669)  (  1.346,   0.459,   1.669)  ( 0.03,  0.00,  0.03)
175:     strbnd  ( -0.246,  -0.135,  -0.322)  ( -0.246,  -0.135,  -0.322)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.006,  -0.001,   0.005)  ( -0.006,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.931,  -2.698,  -2.995)  ( -1.931,  -2.698,  -2.995)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 43       ( 11.621,  -1.350,  -2.700)  ( 11.624,  -1.349,  -2.700)  ( 0.03,  0.04,  0.02)
175:     bond    ( 13.434,  -0.728,  -1.655)  ( 13.437,  -0.728,  -1.655)  ( 0.02,  0.01,  0.01)
175:     angle   (  0.239,  -0.414,   2.123)  (  0.239,  -0.413,   2.123)  ( 0.00,  0.02,  0.02)
175:     strbnd  ( -0.632,  -0.208,  -0.263)  ( -0.633,  -0.208,  -0.263)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.014,   0.348,  -0.265)  ( -0.014,   0.348,  -0.265)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -1.406,  -0.348,  -2.640)  ( -1.406,  -0.348,  -2.640)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 44       ( -3.360,  -5.091,  10.354)  ( -3.359,  -5.090,  10.356)  ( 0.02,  0.02,  0.03)
175:     bond    ( -2.735,  -4.743,  12.407)  ( -2.734,  -4.742,  12.410)  ( 0.01,  0.01,  0.02)
175:     angle   (  2.115,   0.037,   0.480)  (  2.115,   0.037,   0.480)  ( 0.02,  0.00,  0.00)
175:     strbnd  ( -0.131,  -0.084,  -0.698)  ( -0.131,  -0.084,  -0.698)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.336,   0.257,   0.024)  ( -0.336,   0.257,   0.024)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.272,  -0.558,  -1.860)  ( -2.272,  -0.558,  -1.860)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 45       (  6.016,   7.613,   2.296)  (  6.018,   7.618,   2.287)  ( 0.03,  0.06,  0.41)
175:     bond    (  9.306,   9.280,   2.085)  (  9.308,   9.282,   2.085)  ( 0.02,  0.02,  0.01)
175:     angle   ( -0.825,   0.781,   0.202)  ( -0.825,   0.782,   0.202)  ( 0.03,  0.02,  0.00)
175:     strbnd  ( -0.536,  -0.577,  -0.147)  ( -0.536,  -0.577,  -0.147)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.003,   0.038,  -0.155)  ( -0.003,   0.038,  -0.155)  ( 0.00,  0.00,  0.00)
175:     oop     (  0.001,  -0.014,   0.060)  (  0.001,  -0.012,   0.050)  ( 0.00,  0.00,  0.06)
175:     vdw     (  0.608,  -1.936,  -0.168)  (  0.608,  -1.936,  -0.168)  ( 0.00,  0.00,  0.00)
175:     electro ( -2.535,   0.041,   0.419)  ( -2.535,   0.041,   0.419)  ( 0.00,  0.00,  0.00)
175: 46       ( -0.787,   8.785,   2.088)  ( -0.787,   8.791,   2.076)  ( 0.06,  0.07,  0.60)
175:     bond    ( -2.236,  11.174,   2.917)  ( -2.236,  11.177,   2.918)  ( 0.01,  0.03,  0.01)
175:     angle   (  7.037,   1.340,   0.260)  (  7.038,   1.340,   0.260)  ( 0.01,  0.00,  0.00)
175:     strbnd  (  0.866,  -2.736,  -0.746)  (  0.866,  -2.736,  -0.746)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.005,  -0.155,   0.595)  (  0.005,  -0.155,   0.596)  ( 0.00,  0.00,  0.02)
175:     oop     (  0.002,  -0.022,   0.087)  (  0.001,  -0.019,   0.074)  ( 0.00,  0.01,  0.11)
175:     vdw     ( -6.676,  -0.740,  -0.917)  ( -6.676,  -0.740,  -0.917)  ( 0.00,  0.00,  0.00)
175:     electro (  0.216,  -0.076,  -0.108)  (  0.216,  -0.076,  -0.108)  ( 0.00,  0.00,  0.00)
175: 47       (  3.539,  -5.729,  -2.999)  (  3.540,  -5.736,  -2.962)  ( 0.03,  0.12,  1.22)
175:     bond    (  3.394, -11.784,  -3.276)  (  3.394, -11.781,  -3.275)  ( 0.01,  0.03,  0.01)
175:     angle   (  2.930,   0.813,   0.113)  (  2.931,   0.813,   0.113)  ( 0.02,  0.00,  0.00)
175:     strbnd  ( -0.210,   2.122,   0.663)  ( -0.210,   2.122,   0.663)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.017,   0.295,  -1.081)  ( -0.017,   0.295,  -1.080)  ( 0.00,  0.00,  0.03)
175:     oop     ( -0.001,   0.065,  -0.234)  ( -0.001,   0.055,  -0.198)  ( 0.00,  0.06,  0.85)
175:     vdw     ( -3.105,   0.175,   0.934)  ( -3.105,   0.175,   0.934)  ( 0.01,  0.00,  0.00)
175:     electro (  0.548,   2.584,  -0.118)  (  0.548,   2.584,  -0.118)  ( 0.00,  0.00,  0.00)
175: 48       (-12.816,  -1.854,   2.520)  (-12.814,  -1.854,   2.521)  ( 0.02,  0.04,  0.03)
175:     bond    (-14.576,  -0.381,   3.434)  (-14.573,  -0.381,   3.434)  ( 0.02,  0.00,  0.01)
175:     angle   (  0.009,  -1.112,  -0.086)  (  0.009,  -1.111,  -0.085)  ( 0.00,  0.06,  0.00)
175:     strbnd  (  1.318,  -0.737,  -0.196)  (  1.318,  -0.737,  -0.196)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.019,   0.024,   0.082)  (  0.019,   0.024,   0.082)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.413,   0.351,  -0.714)  (  0.413,   0.351,  -0.714)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 49       (  5.085,   1.582,   9.404)  (  5.086,   1.583,   9.406)  ( 0.02,  0.07,  0.02)
175:     bond    (  5.282,   5.246,   8.963)  (  5.283,   5.247,   8.965)  ( 0.01,  0.01,  0.02)
175:     angle   ( -6.276,   0.410,   3.458)  ( -6.276,   0.410,   3.458)  ( 0.01,  0.02,  0.01)
175:     strbnd  (  0.301,  -0.757,   0.046)  (  0.301,  -0.757,   0.046)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.066,   0.065,   0.001)  ( -0.066,   0.065,   0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  5.844,  -3.382,  -3.063)  (  5.844,  -3.382,  -3.063)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 50       ( -4.133,  12.029,  -0.342)  ( -4.132,  12.031,  -0.341)  ( 0.02,  0.02,  0.02)
175:     bond    ( -5.002,  12.797,   0.970)  ( -5.002,  12.800,   0.970)  ( 0.01,  0.02,  0.01)
175:     angle   (  0.821,   0.446,  -1.651)  (  0.821,   0.446,  -1.650)  ( 0.03,  0.00,  0.03)
175:     strbnd  (  0.347,  -0.722,  -0.122)  (  0.347,  -0.722,  -0.122)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.174,  -0.064,  -0.056)  ( -0.174,  -0.064,  -0.056)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.125,  -0.429,   0.516)  ( -0.125,  -0.429,   0.516)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 51       ( 12.057,   2.405,  -2.800)  ( 12.060,   2.406,  -2.799)  ( 0.02,  0.02,  0.03)
175:     bond    ( 11.866,   0.949,  -3.585)  ( 11.869,   0.949,  -3.584)  ( 0.02,  0.01,  0.01)
175:     angle   ( -1.377,   2.670,  -3.852)  ( -1.377,   2.670,  -3.852)  ( 0.00,  0.02,  0.01)
175:     strbnd  ( -0.478,  -0.001,   0.072)  ( -0.478,  -0.001,   0.072)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.190,   2.069,   1.178)  (  0.190,   2.069,   1.178)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  1.856,  -3.282,   3.388)  (  1.856,  -3.282,   3.388)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 52       ( -7.404,  -4.012,  -9.315)  ( -7.403,  -4.011,  -9.313)  ( 0.02,  0.03,  0.02)
175:     bond    ( -6.876,  -6.421, -10.083)  ( -6.875,  -6.420, -10.081)  ( 0.01,  0.01,  0.02)
175:     angle   (  0.750,   1.477,  -1.453)  (  0.750,   1.478,  -1.453)  ( 0.03,  0.03,  0.02)
175:     strbnd  (  0.385,   0.337,   0.420)  (  0.385,   0.337,   0.420)  ( 0.00,  0.00,  0.00)
175:     torsion ( -1.909,   1.279,   0.487)  ( -1.909,   1.279,   0.487)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.246,  -0.685,   1.314)  (  0.246,  -0.685,   1.314)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 53       ( 15.230,  -4.611,   1.878)  ( 15.245,  -4.609,   1.844)  ( 0.09,  0.04,  1.78)
175:     bond    (  1.222, -10.271,   1.446)  (  1.222, -10.266,   1.446)  ( 0.00,  0.05,  0.00)
175:     angle   (  5.790,   0.964,   1.949)  (  5.790,   0.964,   1.949)  ( 0.01,  0.00,  0.01)
175:     strbnd  (  0.388,  -1.593,   0.291)  (  0.388,  -1.593,   0.291)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.654,  -0.156,  -1.664)  (  0.654,  -0.156,  -1.664)  ( 0.00,  0.00,  0.01)
175:     oop     ( -0.122,   0.029,   0.309)  ( -0.108,   0.026,   0.275)  ( 0.16,  0.01,  1.04)
175:     vdw     (  4.608,   1.041,   2.666)  (  4.609,   1.041,   2.666)  ( 0.00,  0.00,  0.00)
175:     electro (  2.690,   5.376,  -3.118)  (  2.690,   5.375,  -3.118)  ( 0.00,  0.00,  0.00)
175: 54       ( -7.250, -11.027,  -1.781)  ( -7.249, -11.024,  -1.781)  ( 0.01,  0.03,  0.03)
175:     bond    ( -4.260, -12.234,  -0.605)  ( -4.260, -12.231,  -0.605)  ( 0.01,  0.02,  0.00)
175:     angle   ( -3.795,   1.395,  -1.482)  ( -3.795,   1.395,  -1.482)  ( 0.01,  0.01,  0.03)
175:     strbnd  ( -1.388,  -0.259,  -0.495)  ( -1.388,  -0.259,  -0.495)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.002,  -0.000,  -0.006)  (  0.002,  -0.000,  -0.006)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.191,   0.071,   0.806)  (  2.191,   0.071,   0.806)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 55       (-10.238,   6.128,   6.355)  (-10.237,   6.129,   6.357)  ( 0.01,  0.02,  0.02)
175:     bond    ( -7.660,   6.780,   8.104)  ( -7.659,   6.781,   8.105)  ( 0.01,  0.01,  0.01)
175:     angle   ( -3.786,  -2.269,  -1.680)  ( -3.786,  -2.268,  -1.680)  ( 0.01,  0.01,  0.02)
175:     strbnd  ( -1.833,   0.486,   0.087)  ( -1.833,   0.486,   0.087)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  3.040,   1.129,  -0.155)  (  3.040,   1.129,  -0.155)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 56       ( -3.327,   4.630, -12.310)  ( -3.326,   4.631, -12.307)  ( 0.02,  0.02,  0.02)
175:     bond    ( -0.179,   5.185, -12.000)  ( -0.178,   5.185, -11.998)  ( 0.00,  0.01,  0.02)
175:     angle   ( -3.994,  -2.155,  -0.872)  ( -3.993,  -2.155,  -0.872)  ( 0.01,  0.02,  0.01)
175:     strbnd  ( -1.307,   0.375,  -1.326)  ( -1.307,   0.375,  -1.326)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.002,   0.012,   0.005)  ( -0.002,   0.012,   0.005)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  2.154,   1.213,   1.884)  (  2.154,   1.213,   1.884)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 57       ( -0.307,  -9.122,  -8.188)  ( -0.306,  -9.120,  -8.187)  ( 0.02,  0.02,  0.02)
175:     bond    (  0.825, -11.920,  -8.291)  (  0.825, -11.918,  -8.290)  ( 0.01,  0.02,  0.01)
175:     angle   (  0.266,   0.885,  -1.246)  (  0.266,   0.885,  -1.246)  ( 0.01,  0.02,  0.03)
175:     strbnd  (  0.564,   0.787,   0.734)  (  0.564,   0.787,   0.734)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.170,  -0.005,   0.024)  (  0.170,  -0.005,   0.024)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.131,   1.130,   0.592)  ( -2.131,   1.130,   0.592)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 58       (  9.212,   6.945,  -1.363)  (  9.214,   6.946,  -1.362)  ( 0.03,  0.02,  0.05)
175:     bond    ( 12.173,   6.773,  -1.368)  ( 12.175,   6.774,  -1.368)  ( 0.02,  0.01,  0.01)
175:     angle   (  0.058,  -0.350,  -1.218)  (  0.058,  -0.349,  -1.217)  ( 0.00,  0.01,  0.04)
175:     strbnd  ( -0.521,  -1.011,   0.065)  ( -0.521,  -1.011,   0.065)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.181,  -0.338,  -0.064)  (  0.181,  -0.338,  -0.064)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -2.678,   1.870,   1.221)  ( -2.678,   1.870,   1.222)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 59       (-10.799,  -6.712,  -0.430)  (-10.797,  -6.711,  -0.429)  ( 0.02,  0.02,  0.03)
175:     bond    (-12.830,  -7.728,   1.306)  (-12.828,  -7.727,   1.306)  ( 0.02,  0.01,  0.01)
175:     angle   (  0.385,  -0.545,   0.558)  (  0.385,  -0.545,   0.558)  ( 0.01,  0.02,  0.03)
175:     strbnd  (  0.887,   0.269,   0.033)  (  0.887,   0.269,   0.033)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.569,  -0.988,  -0.256)  (  0.569,  -0.988,  -0.256)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.191,   2.279,  -2.071)  (  0.191,   2.279,  -2.071)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 60       (  9.776,  -8.215,   3.975)  (  9.777,  -8.214,   3.976)  ( 0.02,  0.02,  0.02)
175:     bond    ( 11.330,  -9.354,   4.398)  ( 11.332,  -9.353,   4.398)  ( 0.01,  0.01,  0.01)
175:     angle   ( -0.016,   0.054,   0.154)  ( -0.015,   0.054,   0.155)  ( 0.00,  0.00,  0.01)
175:     strbnd  ( -0.988,   0.483,  -0.237)  ( -0.988,   0.483,  -0.237)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.315,  -0.335,   0.099)  ( -0.315,  -0.335,   0.099)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.236,   0.937,  -0.438)  ( -0.236,   0.937,  -0.438)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 61       ( -1.361,  -1.860,  12.613)  ( -1.360,  -1.859,  12.616)  ( 0.04,  0.04,  0.02)
175:     bond    ( -1.242,  -3.974,  13.096)  ( -1.242,  -3.974,  13.099)  ( 0.01,  0.01,  0.02)
175:     angle   ( -0.493,   2.159,   0.609)  ( -0.492,   2.160,   0.609)  ( 0.02,  0.02,  0.00)
175:     strbnd  (  0.058,   0.509,  -0.577)  (  0.058,   0.509,  -0.577)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.242,  -0.008,   0.020)  (  0.242,  -0.008,   0.020)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.075,  -0.546,  -0.535)  (  0.075,  -0.546,  -0.535)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 62       (  9.949,   7.205,  -0.655)  (  9.951,   7.206,  -0.654)  ( 0.02,  0.02,  0.04)
175:     bond    ( 11.359,   7.334,  -1.037)  ( 11.361,   7.335,  -1.037)  ( 0.02,  0.01,  0.01)
175:     angle   ( -0.599,   1.148,   1.564)  ( -0.599,   1.148,   1.564)  ( 0.01,  0.03,  0.03)
175:     strbnd  ( -0.498,  -0.036,   0.239)  ( -0.498,  -0.036,   0.239)  ( 0.00,  0.00,  0.00)
175:     torsion (  0.089,  -0.116,   0.153)  (  0.089,  -0.116,   0.153)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     ( -0.402,  -1.125,  -1.573)  ( -0.402,  -1.125,  -1.573)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: 63       ( -9.227,   7.918,  -3.842)  ( -9.225,   7.919,  -3.841)  ( 0.02,  0.02,  0.02)
175:     bond    (-10.234,   7.920,  -2.677)  (-10.232,   7.921,  -2.677)  ( 0.02,  0.01,  0.01)
175:     angle   (  0.410,   1.448,   2.720)  (  0.410,   1.449,   2.720)  ( 0.01,  0.02,  0.02)
175:     strbnd  (  0.495,  -0.112,   0.334)  (  0.495,  -0.112,   0.334)  ( 0.00,  0.00,  0.00)
175:     torsion ( -0.316,  -0.287,   0.358)  ( -0.316,  -0.287,   0.358)  ( 0.00,  0.00,  0.00)
175:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175:     vdw     (  0.419,  -1.051,  -4.577)  (  0.419,  -1.051,  -4.577)  ( 0.00,  0.00,  0.00)
175:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
175: ok 36 # gradients 
177: # Testing MMFF94 Force Field...
177: ok 1 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : 
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
177:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
177:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
177:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
177:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
177:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
177:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
177:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
177:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
177:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
177:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
177:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
177:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
177:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
177:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
177:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
177:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
177:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
177:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
177:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
177:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
177:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
177:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
177:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
177:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
177:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
177:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
177:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
177:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
177:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
177:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
177:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
177:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
177:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
177:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
177:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
177:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
177:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
177:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
177:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
177:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
177:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
177:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
177:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
177:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
177:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
177:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
177:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
177:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
177:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
177:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
177:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
177:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
177:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
177: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
177:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
177:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
177:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
177:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
177:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
177: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
177:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
177:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
177:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
177:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
177:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
177:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
177: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
177:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
177:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
177:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
177:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
177:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
177:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
177: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
177:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
177:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
177:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
177:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
177: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
177:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
177:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
177:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
177:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
177: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
177:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
177:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
177:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
177:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
177:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
177: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
177:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
177:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
177:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
177:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
177:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
177: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
177:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
177:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
177:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
177:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
177:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
177: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
177:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
177:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
177:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
177:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
177:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
177: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
177:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
177:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
177:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
177: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
177:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
177:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
177:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
177:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
177:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
177: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
177:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
177:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
177:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
177:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
177:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
177: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
177:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
177:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
177:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
177:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
177: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
177:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
177:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
177:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
177:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
177: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
177:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
177:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
177:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
177:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
177:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
177:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
177:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
177:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
177:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
177:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
177:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
177:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
177:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
177:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
177:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
177:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
177:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
177:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
177:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
177:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
177:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
177:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
177:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
177:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
177:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
177:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
177:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
177:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
177:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
177:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
177:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
177:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
177:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
177:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
177: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
177:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
177:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
177:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
177:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
177: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
177:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
177:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
177:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
177: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
177:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
177:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
177:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
177: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
177:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
177:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
177:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
177:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
177: ok 2 # gradients 
177: ok 3 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (  0.018,  -0.341,  -0.002)  (  0.027,  -0.334,  -0.000)  ( 0.02,  0.23,  0.00)
177:     bond    (  5.237,   0.172,   1.390)  (  5.245,   0.178,   1.391)  ( 0.15,  0.09,  0.04)
177:     angle   ( -3.469,   1.277,  -0.875)  ( -3.468,   1.279,  -0.875)  ( 0.03,  0.14,  0.01)
177:     strbnd  (  1.478,   0.534,   0.407)  (  1.477,   0.533,   0.407)  ( 0.04,  0.03,  0.00)
177:     torsion ( -0.001,  -0.000,   0.002)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.604,  -0.435,  -0.173)  ( -0.604,  -0.435,  -0.173)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.623,  -1.889,  -0.753)  ( -2.623,  -1.889,  -0.753)  ( 0.00,  0.00,  0.00)
177:  2       ( -0.035,   0.614,  -0.000)  ( -0.026,   0.621,   0.002)  ( 0.03,  0.42,  0.00)
177:     bond    ( -4.097,   4.193,  -0.946)  ( -4.089,   4.199,  -0.946)  ( 0.20,  0.13,  0.06)
177:     angle   (  6.070,  -3.235,   1.494)  (  6.071,  -3.233,   1.494)  ( 0.02,  0.06,  0.02)
177:     strbnd  ( -2.009,  -0.344,  -0.542)  ( -2.010,  -0.344,  -0.542)  ( 0.03,  0.02,  0.00)
177:     torsion (  0.001,   0.000,  -0.005)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       (  0.063,   0.140,   0.024)  (  0.065,   0.142,   0.025)  ( 0.01,  0.04,  0.00)
177:     bond    (  1.119,   1.704,   0.350)  (  1.120,   1.706,   0.350)  ( 0.10,  0.15,  0.00)
177:     angle   (  1.146,  -0.809,   0.277)  (  1.146,  -0.809,   0.277)  ( 0.03,  0.02,  0.00)
177:     strbnd  ( -0.382,  -0.759,  -0.125)  ( -0.382,  -0.759,  -0.125)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,  -0.000,   0.003)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.717,  -0.020,  -0.190)  ( -0.717,  -0.020,  -0.190)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.101,   0.024,  -0.290)  ( -1.101,   0.024,  -0.290)  ( 0.00,  0.00,  0.00)
177:  4       ( -0.062,   0.129,  -0.016)  ( -0.061,   0.132,  -0.016)  ( 0.01,  0.04,  0.00)
177:     bond    (  1.259,  -2.407,   0.256)  (  1.260,  -2.404,   0.256)  ( 0.06,  0.12,  0.00)
177:     angle   (  2.423,   1.342,   0.683)  (  2.423,   1.343,   0.683)  ( 0.02,  0.01,  0.00)
177:     strbnd  ( -0.083,   0.405,  -0.009)  ( -0.083,   0.405,  -0.009)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.868,  -0.122,  -0.761)  ( -2.868,  -0.122,  -0.761)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.793,   0.911,  -0.180)  ( -0.793,   0.911,  -0.180)  ( 0.00,  0.00,  0.00)
177:  5       (  0.040,  -0.110,   0.006)  (  0.041,  -0.107,   0.006)  ( 0.01,  0.03,  0.00)
177:     bond    ( -0.396,   0.799,  -0.079)  ( -0.395,   0.802,  -0.079)  ( 0.03,  0.24,  0.00)
177:     angle   ( -2.535,  -1.318,  -0.711)  ( -2.535,  -1.318,  -0.711)  ( 0.02,  0.01,  0.00)
177:     strbnd  (  0.514,  -0.809,   0.110)  (  0.514,  -0.809,   0.110)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,   0.000,  -0.002)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.567,  -0.187,   0.144)  (  0.567,  -0.187,   0.144)  ( 0.00,  0.00,  0.00)
177:     electro (  1.889,   1.405,   0.544)  (  1.889,   1.405,   0.544)  ( 0.00,  0.00,  0.00)
177:  6       (  0.390,  -0.270,   0.111)  (  0.397,  -0.259,   0.113)  ( 0.24,  0.29,  0.02)
177:     bond    ( -3.396,  -4.839,  -1.050)  ( -3.390,  -4.829,  -1.049)  ( 0.15,  0.21,  0.05)
177:     angle   ( -3.250,   2.439,  -0.769)  ( -3.249,   2.440,  -0.768)  ( 0.03,  0.02,  0.06)
177:     strbnd  (  0.484,   0.974,   0.159)  (  0.484,   0.974,   0.159)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,  -0.000,   0.004)  ( -0.001,  -0.000,   0.004)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.977,   0.183,   0.792)  (  2.977,   0.183,   0.792)  ( 0.00,  0.00,  0.00)
177:     electro (  3.577,   0.972,   0.975)  (  3.577,   0.972,   0.975)  ( 0.00,  0.00,  0.00)
177:  7       ( -0.447,  -0.202,  -0.130)  ( -0.443,  -0.195,  -0.129)  ( 0.18,  0.16,  0.01)
177:     bond    (  0.245,   0.341,   0.076)  (  0.249,   0.348,   0.077)  ( 0.10,  0.26,  0.00)
177:     angle   ( -0.389,   0.299,  -0.100)  ( -0.389,   0.299,  -0.099)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.646,   0.581,   0.189)  (  0.646,   0.581,   0.189)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.949,  -1.423,  -0.296)  ( -0.949,  -1.423,  -0.296)  ( 0.00,  0.00,  0.00)
177: ok 4 # gradients 
177: ok 5 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( -0.272,   0.975,  -1.711)  ( -0.266,   0.978,  -1.706)  ( 0.14,  0.26,  0.24)
177:     bond    (  4.786,   0.643,  -1.120)  (  4.790,   0.648,  -1.116)  ( 0.08,  0.30,  0.40)
177:     angle   ( -4.248,  -1.205,   2.065)  ( -4.246,  -1.204,   2.067)  ( 0.04,  0.13,  0.09)
177:     strbnd  (  1.309,   0.175,  -0.296)  (  1.308,   0.175,  -0.297)  ( 0.05,  0.01,  0.02)
177:     torsion ( -0.109,   0.451,  -0.803)  ( -0.109,   0.451,  -0.803)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.019,   0.011)  ( -0.000,   0.016,   0.009)  ( 0.00,  0.01,  0.00)
177:     vdw     ( -0.992,   0.534,  -0.937)  ( -0.992,   0.534,  -0.937)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.018,   0.358,  -0.630)  ( -1.018,   0.358,  -0.630)  ( 0.00,  0.00,  0.00)
177:  2       (  0.141,  -0.327,   0.169)  (  0.149,  -0.299,   0.191)  ( 0.11,  0.92,  0.37)
177:     bond    ( -6.313,   3.829,  -6.633)  ( -6.307,   3.832,  -6.625)  ( 0.09,  0.07,  0.12)
177:     angle   ( 14.795,   1.490,  -2.461)  ( 14.798,   1.491,  -2.460)  ( 0.02,  0.05,  0.06)
177:     strbnd  ( -8.362,  -5.365,   9.214)  ( -8.362,  -5.366,   9.212)  ( 0.01,  0.01,  0.02)
177:     torsion (  0.021,  -0.143,   0.129)  (  0.021,  -0.143,   0.129)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.137,  -0.079)  ( -0.000,  -0.113,  -0.065)  ( 0.00,  0.34,  0.11)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       ( -0.084,  -0.016,   0.020)  ( -0.082,  -0.019,   0.022)  ( 0.02,  0.00,  0.01)
177:     bond    ( -1.795,  -1.762,   3.022)  ( -1.793,  -1.760,   3.028)  ( 0.11,  0.11,  0.18)
177:     angle   ( -8.883,   2.272,  -3.938)  ( -8.882,   2.272,  -3.938)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  5.080,   5.487,  -9.440)  (  5.080,   5.487,  -9.440)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,  -0.057,  -0.033)  (  0.000,  -0.056,  -0.033)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.025,   0.014)  ( -0.000,   0.020,   0.012)  ( 0.00,  0.01,  0.00)
177:     vdw     (  2.113,   0.148,  -0.250)  (  2.113,   0.148,  -0.250)  ( 0.00,  0.00,  0.00)
177:     electro (  3.400,  -6.130,  10.644)  (  3.400,  -6.130,  10.644)  ( 0.00,  0.00,  0.00)
177:  4       ( -0.054,   0.575,   0.361)  ( -0.045,   0.530,   0.340)  ( 0.05,  2.57,  0.74)
177:     bond    (  1.797,  -0.285,   0.335)  (  1.804,  -0.284,   0.341)  ( 0.39,  0.05,  0.18)
177:     angle   ( -6.314,   1.453,  -2.828)  ( -6.313,   1.453,  -2.827)  ( 0.03,  0.02,  0.04)
177:     strbnd  (  0.607,  -1.012,   1.791)  (  0.607,  -1.012,   1.791)  ( 0.01,  0.01,  0.02)
177:     torsion (  0.002,   0.488,   0.281)  (  0.002,   0.488,   0.281)  ( 0.00,  0.02,  0.00)
177:     oop     ( -0.000,   0.284,   0.162)  ( -0.000,   0.237,   0.135)  ( 0.00,  1.33,  0.44)
177:     vdw     (  3.855,  -0.353,   0.619)  (  3.855,  -0.353,   0.619)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       (  0.018,  -0.203,  -0.165)  (  0.019,  -0.184,  -0.152)  ( 0.00,  0.39,  0.22)
177:     bond    ( -2.157,  -2.229,   3.948)  ( -2.156,  -2.228,   3.951)  ( 0.04,  0.04,  0.08)
177:     angle   ( -0.484,   0.182,  -0.161)  ( -0.483,   0.182,  -0.161)  ( 0.03,  0.00,  0.00)
177:     strbnd  (  0.577,   0.505,  -0.902)  (  0.577,   0.505,  -0.902)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.003,  -0.219,  -0.125)  ( -0.003,  -0.219,  -0.125)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.099,  -0.056)  ( -0.000,  -0.081,  -0.046)  ( 0.00,  0.18,  0.06)
177:     vdw     (  1.088,  -0.556,   0.972)  (  1.088,  -0.556,   0.972)  ( 0.00,  0.00,  0.00)
177:     electro (  0.996,   2.213,  -3.840)  (  0.996,   2.213,  -3.840)  ( 0.00,  0.00,  0.00)
177:  6       (  0.023,  -0.205,  -0.126)  (  0.027,  -0.191,  -0.117)  ( 0.01,  0.28,  0.10)
177:     bond    (  3.250,   0.122,  -0.167)  (  3.255,   0.122,  -0.167)  ( 0.15,  0.00,  0.00)
177:     angle   (  0.458,  -3.605,   6.307)  (  0.458,  -3.605,   6.308)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -0.266,  -0.042,   0.065)  ( -0.266,  -0.042,   0.065)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,  -0.154,  -0.090)  (  0.001,  -0.153,  -0.090)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,  -0.093,  -0.053)  (  0.001,  -0.079,  -0.045)  ( 0.00,  0.13,  0.04)
177:     vdw     ( -0.044,   0.008,  -0.015)  ( -0.044,   0.008,  -0.015)  ( 0.00,  0.00,  0.00)
177:     electro ( -3.378,   3.559,  -6.174)  ( -3.378,   3.559,  -6.174)  ( 0.00,  0.00,  0.00)
177:  7       (  0.008,  -0.187,   0.604)  (  0.009,  -0.184,   0.605)  ( 0.00,  0.06,  0.03)
177:     bond    (  0.021,   0.069,  -0.002)  (  0.021,   0.073,  -0.002)  ( 0.00,  0.02,  0.00)
177:     angle   (  1.553,  -0.437,   0.860)  (  1.553,  -0.437,   0.860)  ( 0.03,  0.00,  0.04)
177:     strbnd  (  0.368,   0.645,  -0.047)  (  0.368,   0.645,  -0.047)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.043,  -0.004,   0.425)  (  0.043,  -0.004,   0.425)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.977,  -0.460,  -0.633)  ( -1.977,  -0.460,  -0.633)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  8       (  0.007,  -0.431,   0.471)  (  0.008,  -0.429,   0.474)  ( 0.00,  0.05,  0.12)
177:     bond    (  0.017,  -0.029,  -0.055)  (  0.018,  -0.028,  -0.053)  ( 0.00,  0.00,  0.01)
177:     angle   (  1.567,  -0.533,   0.815)  (  1.568,  -0.532,   0.815)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.370,  -0.276,  -0.582)  (  0.370,  -0.276,  -0.582)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.044,  -0.368,   0.213)  (  0.044,  -0.368,   0.213)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.992,   0.775,   0.081)  ( -1.992,   0.775,   0.081)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       (  0.179,  -0.203,   0.341)  (  0.180,  -0.202,   0.343)  ( 0.02,  0.02,  0.08)
177:     bond    (  0.367,  -0.375,   0.641)  (  0.368,  -0.374,   0.643)  ( 0.02,  0.03,  0.13)
177:     angle   (  1.546,   0.380,  -0.664)  (  1.547,   0.380,  -0.664)  ( 0.03,  0.01,  0.01)
177:     strbnd  (  0.317,  -0.116,   0.199)  (  0.317,  -0.116,   0.199)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.005,   0.003)  ( -0.000,   0.005,   0.003)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.052,  -0.097,   0.162)  ( -2.052,  -0.097,   0.162)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 6 # gradients 
177: ok 7 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (  0.431,   0.382,   0.004)  (  0.436,   0.388,   0.009)  ( 0.22,  0.23,  0.00)
177:     bond    ( -4.893,   2.856,  -3.005)  ( -4.889,   2.861,  -3.000)  ( 0.09,  0.16,  0.15)
177:     angle   (  1.859,  -4.639,   2.751)  (  1.861,  -4.637,   2.752)  ( 0.10,  0.04,  0.06)
177:     strbnd  (  0.352,  -0.450,   0.642)  (  0.351,  -0.450,   0.641)  ( 0.05,  0.03,  0.04)
177:     torsion ( -0.296,  -0.439,   0.009)  ( -0.296,  -0.439,   0.009)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.689,   2.322,   0.608)  (  5.689,   2.322,   0.608)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.279,   0.731,  -1.001)  ( -2.279,   0.731,  -1.001)  ( 0.00,  0.00,  0.00)
177:  2       ( -0.776,  -0.622,  -0.218)  ( -0.780,  -0.606,  -0.189)  ( 0.23,  0.97,  0.62)
177:     bond    (  7.306,  -2.470,   3.157)  (  7.312,  -2.468,   3.158)  ( 0.07,  0.08,  0.02)
177:     angle   (  2.892,   8.647,  -4.003)  (  2.893,   8.648,  -4.002)  ( 0.01,  0.02,  0.01)
177:     strbnd  (-10.808,  -7.207,  -0.152)  (-10.809,  -7.207,  -0.152)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.221,   0.486,   0.955)  ( -0.221,   0.486,   0.955)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.054,  -0.078,  -0.175)  (  0.045,  -0.066,  -0.147)  ( 0.04,  0.09,  0.48)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       (  0.077,  -0.215,  -0.263)  (  0.077,  -0.212,  -0.263)  ( 0.01,  0.07,  0.02)
177:     bond    (  0.045,   0.977,   0.187)  (  0.045,   0.980,   0.187)  ( 0.00,  0.32,  0.00)
177:     angle   ( -5.704,   0.511,  -1.299)  ( -5.703,   0.511,  -1.299)  ( 0.01,  0.00,  0.04)
177:     strbnd  ( -0.435,   0.449,  -0.226)  ( -0.435,   0.449,  -0.226)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.156,  -0.037,   0.231)  ( -0.156,  -0.037,   0.231)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.326,  -2.115,   0.844)  (  6.326,  -2.115,   0.844)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  4       ( -0.154,  -0.035,   0.283)  ( -0.151,  -0.034,   0.284)  ( 0.04,  0.00,  0.03)
177:     bond    ( -0.518,  -0.212,   0.225)  ( -0.515,  -0.211,   0.226)  ( 0.13,  0.01,  0.01)
177:     angle   (  0.309,  -0.045,   0.666)  (  0.310,  -0.044,   0.666)  ( 0.01,  0.00,  0.03)
177:     strbnd  ( -0.108,   0.417,  -0.398)  ( -0.108,   0.418,  -0.398)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.012,  -0.211,  -0.225)  ( -0.012,  -0.211,  -0.225)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.175,   0.014,   0.016)  (  0.175,   0.014,   0.016)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       ( -0.220,  -0.180,  -0.107)  ( -0.219,  -0.179,  -0.104)  ( 0.01,  0.01,  0.04)
177:     bond    (  0.005,  -0.076,  -0.456)  (  0.005,  -0.076,  -0.453)  ( 0.00,  0.00,  0.15)
177:     angle   ( -1.188,  -0.996,   0.154)  ( -1.187,  -0.996,   0.154)  ( 0.05,  0.05,  0.00)
177:     strbnd  ( -0.441,   0.249,  -0.473)  ( -0.441,   0.249,  -0.473)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.429,   0.568,  -0.091)  (  0.429,   0.568,  -0.091)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.975,   0.076,   0.758)  (  0.975,   0.076,   0.758)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  6       (  0.815,   1.141,  -0.215)  (  0.856,   1.101,  -0.316)  ( 3.35,  3.49,  2.17)
177:     bond    ( -0.770,  -0.798,   0.110)  ( -0.761,  -0.793,   0.112)  ( 0.74,  0.41,  0.02)
177:     angle   ( -6.533,  -4.058,  -0.587)  ( -6.531,  -4.056,  -0.587)  ( 0.02,  0.05,  0.02)
177:     strbnd  ( 13.048,   4.199,   2.149)  ( 13.046,   4.199,   2.149)  ( 0.02,  0.01,  0.01)
177:     torsion (  0.259,  -0.370,  -0.890)  (  0.259,  -0.370,  -0.889)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.183,   0.268,   0.599)  ( -0.151,   0.221,   0.495)  ( 0.59,  1.25,  6.20)
177:     vdw     ( -5.005,   1.900,  -1.595)  ( -5.005,   1.900,  -1.595)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  7       ( -0.169,  -0.110,  -0.044)  ( -0.176,  -0.088,   0.004)  ( 0.13,  0.25,  0.21)
177:     bond    ( -1.232,   0.565,  -0.626)  ( -1.226,   0.566,  -0.625)  ( 0.52,  0.08,  0.10)
177:     angle   ( -0.414,  -0.699,   0.179)  ( -0.414,  -0.698,   0.179)  ( 0.01,  0.04,  0.00)
177:     strbnd  ( -1.351,   0.487,  -0.628)  ( -1.351,   0.487,  -0.628)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.063,   0.092,   0.208)  ( -0.063,   0.092,   0.208)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.065,  -0.095,  -0.213)  (  0.051,  -0.074,  -0.167)  ( 0.09,  0.19,  0.98)
177:     vdw     ( -0.079,   0.007,  -0.027)  ( -0.079,   0.007,  -0.027)  ( 0.00,  0.00,  0.00)
177:     electro (  2.906,  -0.466,   1.064)  (  2.906,  -0.466,   1.064)  ( 0.00,  0.00,  0.00)
177:  8       ( -0.035,  -0.388,   0.541)  ( -0.043,  -0.371,   0.574)  ( 0.03,  0.66,  1.76)
177:     bond    (  0.028,  -0.862,   0.394)  (  0.028,  -0.860,   0.395)  ( 0.00,  0.24,  0.02)
177:     angle   (  8.772,   1.272,   2.136)  (  8.772,   1.272,   2.136)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.253,   1.856,  -0.912)  ( -0.253,   1.856,  -0.912)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.061,  -0.089,  -0.197)  (  0.061,  -0.089,  -0.197)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.065,  -0.096,  -0.213)  (  0.055,  -0.081,  -0.181)  ( 0.06,  0.14,  0.68)
177:     vdw     ( -8.081,  -2.204,  -0.604)  ( -8.081,  -2.204,  -0.604)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.627,  -0.265,  -0.063)  ( -0.627,  -0.265,  -0.063)  ( 0.00,  0.00,  0.00)
177: ok 8 # gradients 
177: ok 9 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (  6.021,  -8.841,  15.336)  (  6.025,  -8.837,  15.339)  ( 0.07,  0.04,  0.02)
177:     bond    ( 13.697, -19.381,  33.622)  ( 13.700, -19.379,  33.624)  ( 0.02,  0.02,  0.01)
177:     angle   ( -4.188,   5.759,  -9.944)  ( -4.187,   5.761,  -9.942)  ( 0.03,  0.02,  0.02)
177:     strbnd  ( -3.294,   4.646,  -8.104)  ( -3.295,   4.645,  -8.105)  ( 0.02,  0.01,  0.01)
177:     torsion ( -0.194,   0.135,  -0.238)  ( -0.194,   0.135,  -0.238)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  2       ( -9.933,  -2.704,   4.639)  ( -9.929,  -2.699,   4.644)  ( 0.04,  0.19,  0.11)
177:     bond    (-13.151,   0.001,   0.002)  (-13.148,   0.005,   0.006)  ( 0.03,  0.00,  0.00)
177:     angle   ( -5.431,  -2.186,   3.739)  ( -5.429,  -2.184,   3.741)  ( 0.03,  0.08,  0.04)
177:     strbnd  (  4.098,  -2.031,   3.530)  (  4.097,  -2.031,   3.529)  ( 0.04,  0.02,  0.01)
177:     torsion ( -0.000,   0.166,  -0.285)  (  0.000,   0.166,  -0.285)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       (  3.813,   8.396,   5.795)  (  3.819,   8.400,   5.800)  ( 0.14,  0.05,  0.09)
177:     bond    (  4.362,  12.392,  -0.017)  (  4.366,  12.395,  -0.013)  ( 0.09,  0.03,  0.01)
177:     angle   (  3.888,   4.351,   3.744)  (  3.890,   4.353,   3.746)  ( 0.05,  0.04,  0.04)
177:     strbnd  (  0.568,  -4.531,   3.529)  (  0.568,  -4.532,   3.529)  ( 0.03,  0.03,  0.01)
177:     torsion (  0.479,  -0.170,   0.882)  (  0.479,  -0.170,   0.882)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  4       (  3.726,  -9.185,  -4.409)  (  3.731,  -9.180,  -4.405)  ( 0.14,  0.05,  0.09)
177:     bond    (  4.377,  -6.197, -10.754)  (  4.381,  -6.194, -10.751)  ( 0.09,  0.06,  0.03)
177:     angle   (  3.836,  -5.397,  -1.958)  (  3.837,  -5.396,  -1.956)  ( 0.05,  0.03,  0.09)
177:     strbnd  (  0.555,  -0.774,   5.727)  (  0.555,  -0.774,   5.725)  ( 0.03,  0.04,  0.02)
177:     torsion (  0.478,  -0.675,   0.585)  (  0.478,  -0.675,   0.585)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       ( -2.313,  28.066,   0.105)  ( -2.312,  28.068,   0.106)  ( 0.04,  0.01,  0.01)
177:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
177:     angle   (  1.760,   0.623,  -0.007)  (  1.760,   0.623,  -0.006)  ( 0.03,  0.00,  0.00)
177:     strbnd  ( -1.908,  -0.349,   0.000)  ( -1.908,  -0.349,   0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,   0.152)  (  0.000,   0.000,   0.152)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  6       ( -9.233, -13.275,  23.034)  ( -9.232, -13.274,  23.036)  ( 0.01,  0.01,  0.01)
177:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
177:     angle   (  1.828,  -0.303,   0.571)  (  1.829,  -0.302,   0.572)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -1.910,   0.171,  -0.295)  ( -1.910,   0.171,  -0.295)  ( 0.00,  0.00,  0.00)
176/223 Test #175: test_ffmmff94_1 ..................   Passed    1.50 sec
test 178
        Start 178: test_ffmmff94_4

178: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ffmmff94" "4"
178: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
178: Environment variables: 
178:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
178:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
178: Test timeout computed to be: 1500
177:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  7       ( -2.162, -14.129, -24.316)  ( -2.161, -14.129, -24.314)  ( 0.04,  0.01,  0.01)
177:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
177:     angle   (  1.840,  -0.299,  -0.578)  (  1.840,  -0.299,  -0.578)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -1.909,   0.172,   0.297)  ( -1.909,   0.172,   0.297)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.133,   0.077)  (  0.000,  -0.133,   0.077)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  8       ( 27.568,  -1.841,  -1.569)  ( 27.570,  -1.840,  -1.569)  ( 0.01,  0.04,  0.04)
177:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   ( -0.000,  -1.856,  -0.010)  (  0.000,  -1.856,  -0.009)  ( 0.00,  0.03,  0.00)
177:     strbnd  (  0.304,   1.915,  -0.000)  (  0.304,   1.915,  -0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.469)  (  0.000,   0.000,  -0.469)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       (-11.584,  11.851,  21.981)  (-11.583,  11.852,  21.983)  ( 0.01,  0.01,  0.01)
177:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
177:     angle   ( -0.885,  -1.619,   0.574)  ( -0.885,  -1.619,   0.574)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.798,   1.743,  -0.296)  (  0.798,   1.743,  -0.296)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.382,   0.135,  -0.234)  ( -0.382,   0.135,  -0.234)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 10       (-10.930,   9.420, -22.678)  (-10.929,   9.421, -22.676)  ( 0.01,  0.01,  0.01)
177:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
177:     angle   ( -0.882,  -1.631,  -0.581)  ( -0.882,  -1.630,  -0.581)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.799,   1.742,   0.299)  (  0.799,   1.742,   0.299)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,  -0.000,  -0.001)  (  0.001,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 11       ( 27.570,   2.262,   0.809)  ( 27.573,   2.263,   0.809)  ( 0.01,  0.03,  0.05)
177:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
177:     angle   (  0.001,   0.926,   1.618)  (  0.001,   0.926,   1.618)  ( 0.00,  0.04,  0.03)
177:     strbnd  (  0.305,  -0.958,  -1.660)  (  0.305,  -0.958,  -1.660)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.407,  -0.235)  ( -0.000,   0.407,  -0.235)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 12       (-10.972,  14.917, -19.519)  (-10.971,  14.918, -19.517)  ( 0.01,  0.01,  0.01)
177:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
177:     angle   ( -0.889,   1.308,   1.118)  ( -0.889,   1.309,   1.119)  ( 0.03,  0.03,  0.02)
177:     strbnd  (  0.798,  -1.129,  -1.364)  (  0.798,  -1.129,  -1.364)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       (-11.601, -24.965,   0.763)  (-11.600, -24.963,   0.763)  ( 0.01,  0.01,  0.05)
177:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
177:     angle   ( -0.888,   0.315,   1.704)  ( -0.887,   0.315,   1.705)  ( 0.03,  0.00,  0.03)
177:     strbnd  (  0.799,  -0.614,  -1.659)  (  0.799,  -0.614,  -1.659)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.381,   0.135,  -0.233)  ( -0.381,   0.135,  -0.233)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 10 # gradients 
177: ok 11 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (-94.849, 134.077, -232.261)  (-94.840, 134.085, -232.257)  ( 0.01,  0.01,  0.00)
177:     bond    (-98.615, 139.541, -241.698)  (-98.607, 139.548, -241.694)  ( 0.01,  0.01,  0.00)
177:     angle   (-17.077,  24.042, -41.606)  (-17.076,  24.043, -41.605)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 20.845, -29.505,  51.044)  ( 20.845, -29.506,  51.044)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.002,  -0.001,  -0.002)  ( -0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  2       (267.229,   1.097,  -1.985)  (267.239,   1.101,  -1.981)  ( 0.00,  0.37,  0.20)
177:     bond    (324.092,   0.002,   0.003)  (324.102,   0.005,   0.006)  ( 0.00,  0.00,  0.00)
177:     angle   ( -7.067,  -9.049,  15.613)  ( -7.066,  -9.047,  15.614)  ( 0.02,  0.02,  0.01)
177:     strbnd  (-54.347,   8.796, -15.254)  (-54.349,   8.796, -15.255)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.001,  -0.000)  (  0.000,   0.001,  -0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       (-92.994, -251.370,  -1.993)  (-92.989, -251.361,  -1.989)  ( 0.01,  0.00,  0.20)
177:     bond    (-108.221, -305.529,  -0.016)  (-108.218, -305.520,  -0.013)  ( 0.00,  0.00,  0.00)
177:     angle   ( 10.871,   3.619,  15.618)  ( 10.872,   3.621,  15.619)  ( 0.01,  0.04,  0.01)
177:     strbnd  (  9.840,  54.186, -15.254)  (  9.840,  54.184, -15.254)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,  -0.000,   0.003)  (  0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  4       (-92.879, 127.455, 216.653)  (-92.874, 127.461, 216.661)  ( 0.01,  0.00,  0.00)
177:     bond    (-107.982, 152.791, 264.561)  (-107.978, 152.795, 264.568)  ( 0.00,  0.00,  0.00)
177:     angle   ( 10.825, -15.317,   4.617)  ( 10.827, -15.315,   4.619)  ( 0.01,  0.01,  0.03)
177:     strbnd  (  9.798, -13.878, -54.515)  (  9.798, -13.878, -54.516)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       ( 14.020,  33.684,  -0.046)  ( 14.021,  33.686,  -0.046)  ( 0.01,  0.01,  0.00)
177:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
177:     angle   (  2.316,   0.820,  -0.007)  (  2.316,   0.820,  -0.006)  ( 0.02,  0.00,  0.00)
177:     strbnd  ( 13.869,   5.072,   0.000)  ( 13.869,   5.072,   0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  6       (  7.090, -16.075,  27.884)  (  7.091, -16.074,  27.886)  ( 0.01,  0.01,  0.01)
177:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
177:     angle   (  2.371,  -0.399,   0.737)  (  2.371,  -0.398,   0.737)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( 13.871,  -2.534,   4.389)  ( 13.871,  -2.534,   4.389)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  7       ( 14.159, -16.794, -29.238)  ( 14.160, -16.793, -29.236)  ( 0.01,  0.01,  0.01)
177:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
177:     angle   (  2.378,  -0.394,  -0.743)  (  2.378,  -0.394,  -0.742)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( 13.873,  -2.530,  -4.384)  ( 13.873,  -2.530,  -4.384)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.001,   0.000)  (  0.000,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  8       ( 27.412, -19.113,  -1.101)  ( 27.414, -19.112,  -1.100)  ( 0.01,  0.00,  0.05)
177:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   ( -0.000,  -2.447,  -0.010)  (  0.000,  -2.447,  -0.009)  ( 0.00,  0.02,  0.00)
177:     strbnd  (  0.148, -14.767,  -0.000)  (  0.148, -14.767,  -0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       (-19.291,  -2.738,  27.067)  (-19.291,  -2.737,  27.069)  ( 0.00,  0.04,  0.01)
177:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
177:     angle   ( -1.157,  -2.100,   0.740)  ( -1.157,  -2.099,   0.740)  ( 0.03,  0.02,  0.01)
177:     strbnd  ( -7.020, -12.229,   4.389)  ( -7.020, -12.229,   4.389)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 10       (-19.016,  -5.032, -27.526)  (-19.015,  -5.031, -27.524)  ( 0.00,  0.02,  0.01)
177:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
177:     angle   ( -1.152,  -2.108,  -0.747)  ( -1.152,  -2.107,  -0.746)  ( 0.03,  0.02,  0.01)
177:     strbnd  ( -7.016, -12.234,  -4.385)  ( -7.016, -12.234,  -4.385)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,  -0.000,  -0.000)  (  0.001,  -0.000,  -0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 11       ( 27.424,  10.493,  15.999)  ( 27.427,  10.494,  16.000)  ( 0.01,  0.01,  0.00)
177:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
177:     angle   (  0.001,   1.221,   2.128)  (  0.001,   1.221,   2.129)  ( 0.00,  0.03,  0.02)
177:     strbnd  (  0.159,   7.384,  12.785)  (  0.159,   7.384,  12.785)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 12       (-19.052,  26.348,  -9.424)  (-19.051,  26.349,  -9.422)  ( 0.00,  0.00,  0.02)
177:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
177:     angle   ( -1.160,   1.692,   1.451)  ( -1.160,   1.692,   1.451)  ( 0.03,  0.02,  0.01)
177:     strbnd  ( -7.010,   9.918,   8.398)  ( -7.010,   9.918,   8.398)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       (-19.294, -22.069,  15.940)  (-19.293, -22.066,  15.940)  ( 0.00,  0.01,  0.00)
177:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
177:     angle   ( -1.157,   0.410,   2.200)  ( -1.157,   0.410,   2.200)  ( 0.03,  0.00,  0.02)
177:     strbnd  ( -7.007,   2.322,  12.788)  ( -7.007,   2.322,  12.788)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.002,  -0.001,   0.001)  (  0.002,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 12 # gradients 
177: ok 13 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (  0.188,  -0.341,  -0.447)  (  0.196,  -0.337,  -0.439)  ( 0.15,  0.15,  0.35)
177:     bond    ( 12.215,  -2.444,  -2.026)  ( 12.221,  -2.440,  -2.025)  ( 0.05,  0.20,  0.04)
177:     angle   (  1.031,   1.567,   0.419)  (  1.033,   1.568,   0.419)  ( 0.17,  0.09,  0.01)
177:     strbnd  ( -0.276,   0.595,   0.200)  ( -0.276,   0.595,   0.200)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.026,  -0.060,   0.134)  (  0.026,  -0.060,   0.135)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.003,   0.011,  -0.034)  ( -0.003,   0.009,  -0.028)  ( 0.00,  0.00,  0.02)
177:     vdw     (-13.301,   0.238,   1.219)  (-13.301,   0.238,   1.219)  ( 0.00,  0.00,  0.00)
177:     electro (  0.497,  -0.246,  -0.360)  (  0.497,  -0.246,  -0.360)  ( 0.00,  0.00,  0.00)
177:  2       (  0.154,  -0.533,   0.257)  (  0.159,  -0.515,   0.227)  ( 0.07,  0.95,  0.78)
177:     bond    (  8.668,  -9.202,  -3.657)  (  8.674,  -9.197,  -3.657)  ( 0.06,  0.06,  0.02)
177:     angle   (  1.060,  -2.236,  -0.846)  (  1.061,  -2.234,  -0.846)  ( 0.15,  0.07,  0.02)
177:     strbnd  ( -2.306,  -0.145,   0.209)  ( -2.306,  -0.145,   0.209)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.009,  -0.028,   0.128)  ( -0.009,  -0.028,   0.129)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.014,  -0.067,   0.198)  (  0.012,  -0.056,   0.166)  ( 0.00,  0.08,  0.65)
177:     vdw     ( -6.352,  11.522,   4.701)  ( -6.352,  11.522,   4.701)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.922,  -0.376,  -0.475)  ( -0.922,  -0.376,  -0.475)  ( 0.00,  0.00,  0.00)
177:  3       ( -0.038,  -0.435,   0.232)  ( -0.028,  -0.444,   0.280)  ( 0.04,  0.40,  1.12)
177:     bond    ( -6.462, -14.039,  -4.598)  ( -6.457, -14.034,  -4.597)  ( 0.08,  0.04,  0.02)
177:     angle   (  4.729,   7.796,   2.474)  (  4.731,   7.798,   2.474)  ( 0.04,  0.02,  0.01)
177:     strbnd  (  3.737,  -3.706,  -1.522)  (  3.737,  -3.707,  -1.522)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.300,  -2.114,   5.663)  (  0.300,  -2.114,   5.664)  ( 0.00,  0.01,  0.02)
177:     oop     ( -0.022,   0.095,  -0.277)  ( -0.019,   0.079,  -0.231)  ( 0.01,  0.15,  1.28)
177:     vdw     ( -2.173,  13.069,   0.311)  ( -2.172,  13.069,   0.311)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.148,  -1.535,  -1.819)  ( -0.148,  -1.535,  -1.819)  ( 0.00,  0.00,  0.00)
177:  4       (  0.339,   2.335,  -1.508)  (  0.354,   2.156,  -1.322)  ( 0.49,  7.67, 12.33)
177:     bond    ( -4.734,   2.347,   1.095)  ( -4.729,   2.352,   1.096)  ( 0.11,  0.20,  0.07)
177:     angle   (-10.062,  -2.611,   4.140)  (-10.060,  -2.609,   4.140)  ( 0.02,  0.07,  0.01)
177:     strbnd  (  3.811,   0.602,   0.274)  (  3.811,   0.601,   0.274)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.109,   2.386,  -1.969)  ( -0.109,   2.387,  -1.968)  ( 0.00,  0.01,  0.06)
177:     oop     ( -0.042,   1.022,  -1.056)  ( -0.035,   0.836,  -0.873)  ( 0.03, 18.16, 17.37)
177:     vdw     (  9.138,  -2.304,  -5.262)  (  9.139,  -2.304,  -5.262)  ( 0.00,  0.00,  0.00)
177:     electro (  2.337,   0.892,   1.269)  (  2.337,   0.892,   1.269)  ( 0.00,  0.00,  0.00)
177:  5       (  0.329,  -0.092,  -0.786)  (  0.325,  -0.035,  -0.926)  ( 0.14,  0.53, 10.94)
177:     bond    ( -9.877,  12.321,   6.024)  ( -9.872,  12.326,   6.025)  ( 0.05,  0.04,  0.01)
177:     angle   (  0.777,  -3.545,  -1.191)  (  0.779,  -3.544,  -1.191)  ( 0.13,  0.04,  0.02)
177:     strbnd  (  3.218,   2.140,   0.609)  (  3.218,   2.140,   0.609)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.010,   0.739,  -2.169)  (  0.010,   0.739,  -2.168)  ( 0.00,  0.01,  0.06)
177:     oop     (  0.069,  -0.304,   0.854)  (  0.058,  -0.253,   0.713)  ( 0.08,  1.53, 12.07)
177:     vdw     (  4.433, -11.904,  -4.594)  (  4.433, -11.904,  -4.594)  ( 0.00,  0.00,  0.00)
177:     electro (  1.700,   0.460,  -0.319)  (  1.700,   0.460,  -0.319)  ( 0.00,  0.00,  0.00)
177:  6       (  0.290,   0.013,  -0.920)  (  0.298,   0.013,  -0.902)  ( 0.24,  0.00,  1.63)
177:     bond    ( 10.935,  11.123,   2.675)  ( 10.940,  11.128,   2.676)  ( 0.05,  0.04,  0.03)
177:     angle   ( -1.841,   0.246,   0.285)  ( -1.839,   0.247,   0.285)  ( 0.09,  0.04,  0.01)
177:     strbnd  ( -0.658,   0.437,   0.063)  ( -0.658,   0.437,   0.063)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.004,   0.151,  -0.129)  ( -0.004,   0.151,  -0.128)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.010,   0.040,  -0.102)  ( -0.008,   0.034,  -0.087)  ( 0.00,  0.03,  0.16)
177:     vdw     ( -7.809, -11.860,  -3.494)  ( -7.809, -11.860,  -3.494)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.323,  -0.125,  -0.217)  ( -0.323,  -0.125,  -0.217)  ( 0.00,  0.00,  0.00)
177:  7       ( -0.910,  -7.772,   3.404)  ( -0.861,  -7.502,   3.120)  ( 4.50,  3.48,  8.32)
177:     bond    ( -8.014,   7.203,  10.301)  ( -8.008,   7.206,  10.304)  ( 0.07,  0.04,  0.04)
177:     angle   ( 23.571,  -6.002, -12.520)  ( 23.573,  -6.000, -12.519)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -5.963,   1.001,   0.741)  ( -5.964,   1.001,   0.741)  ( 0.01,  0.02,  0.02)
177:     torsion ( -2.513, -12.758,   5.361)  ( -2.513, -12.757,   5.361)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.329,  -1.737,   1.929)  ( -0.287,  -1.471,   1.641)  ( 1.39, 15.28, 14.93)
177:     vdw     ( -1.708,   5.497,  -2.750)  ( -1.708,   5.497,  -2.750)  ( 0.01,  0.00,  0.00)
177:     electro ( -5.954,  -0.978,   0.342)  ( -5.954,  -0.978,   0.342)  ( 0.00,  0.00,  0.00)
177:  8       ( -2.017,   6.847,   8.194)  ( -2.033,   7.367,   8.078)  ( 0.77,  7.59,  1.41)
177:     bond    (  7.906,   3.155,   6.283)  (  7.911,   3.158,   6.291)  ( 0.07,  0.08,  0.13)
177:     angle   (-11.927,  11.968,  23.696)  (-11.925,  11.969,  23.697)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -0.172,  -3.227,  -7.634)  ( -0.173,  -3.227,  -7.635)  ( 0.02,  0.01,  0.01)
177:     torsion ( -1.720,   6.773, -17.821)  ( -1.720,   6.773, -17.821)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.204,  -2.932,   0.925)  (  0.181,  -2.416,   0.801)  ( 0.45, 17.59, 11.54)
177:     vdw     (  4.239,  -5.387,   2.000)  (  4.239,  -5.387,   2.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.546,  -3.502,   0.745)  ( -0.546,  -3.502,   0.745)  ( 0.00,  0.00,  0.00)
177:  9       (  2.585,  -3.819,  -7.637)  (  2.601,  -4.100,  -7.475)  ( 0.65,  7.38,  2.13)
177:     bond    (  6.677,  -9.432, -17.814)  (  6.678,  -9.430, -17.808)  ( 0.01,  0.02,  0.03)
177:     angle   ( -3.223,  -0.345,  -1.026)  ( -3.222,  -0.345,  -1.026)  ( 0.03,  0.00,  0.01)
177:     strbnd  ( -3.032,   4.056,   7.810)  ( -3.032,   4.056,   7.810)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.307,   6.030,  -3.308)  ( -0.307,   6.030,  -3.308)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.071,   1.455,  -0.797)  ( -0.056,   1.171,  -0.641)  ( 0.11, 19.52, 12.44)
177:     vdw     (  7.280,  -5.048,  11.866)  (  7.280,  -5.048,  11.866)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.739,  -0.534,  -4.368)  ( -4.739,  -0.534,  -4.368)  ( 0.00,  0.00,  0.00)
177: 10       (  1.000,  -0.547,  -0.386)  (  0.966,  -0.774,  -0.726)  ( 3.43, 12.41, 13.13)
177:     bond    (  9.695,  23.920,  -3.884)  (  9.701,  23.924,  -3.884)  ( 0.06,  0.02,  0.01)
177:     angle   (-15.143, -13.685, -10.389)  (-15.141, -13.683, -10.388)  ( 0.01,  0.01,  0.01)
177:     strbnd  (  1.542, -11.914,   0.169)  (  1.542, -11.915,   0.169)  ( 0.03,  0.01,  0.00)
177:     torsion (  1.960,  -0.605,  10.880)  (  1.960,  -0.605,  10.881)  ( 0.00,  0.01,  0.01)
177:     oop     (  0.202,   1.528,   1.715)  (  0.161,   1.295,   1.373)  ( 0.83, 15.24, 19.96)
177:     vdw     (  3.415,   0.682,   1.760)  (  3.415,   0.682,   1.760)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.671,  -0.472,  -0.637)  ( -0.671,  -0.472,  -0.637)  ( 0.00,  0.00,  0.00)
177: 11       ( -0.171,  -0.241,  -0.542)  ( -0.163,  -0.080,   0.005)  ( 0.12,  3.88, 29.65)
177:     bond    (-13.094,  -5.115,  -0.788)  (-13.089,  -5.111,  -0.787)  ( 0.04,  0.09,  0.05)
177:     angle   ( -2.503,   4.242,  11.159)  ( -2.501,   4.244,  11.160)  ( 0.09,  0.05,  0.00)
177:     strbnd  ( 10.155,   7.918,  -0.812)  ( 10.154,   7.917,  -0.812)  ( 0.01,  0.01,  0.01)
177:     torsion (  1.046,  -1.903,  -2.449)  (  1.046,  -1.903,  -2.448)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.039,  -0.779,  -2.945)  ( -0.038,  -0.624,  -2.400)  ( 0.00, 12.08, 18.52)
177:     vdw     ( -0.018,  -4.278,  -1.767)  ( -0.018,  -4.278,  -1.767)  ( 0.00,  0.00,  0.00)
177:     electro (  4.282,  -0.325,  -2.941)  (  4.282,  -0.325,  -2.941)  ( 0.00,  0.00,  0.00)
177: 12       (  0.049,  -0.113,  -0.121)  (  0.055,  -0.145,  -0.246)  ( 0.03,  0.36,  1.51)
177:     bond    ( -6.964,  10.847,  -2.041)  ( -6.957,  10.853,  -2.041)  ( 0.09,  0.05,  0.02)
177:     angle   (  3.466, -18.735,   1.444)  (  3.468, -18.732,   1.444)  ( 0.06,  0.01,  0.03)
177:     strbnd  (  5.241,  10.045,  -1.635)  (  5.240,  10.043,  -1.635)  ( 0.02,  0.01,  0.00)
177:     torsion ( -0.277,  -0.199,   0.243)  ( -0.277,  -0.199,   0.244)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.002,   0.243,   0.879)  ( -0.003,   0.205,   0.753)  ( 0.00,  0.94, 11.08)
177:     vdw     ( -1.680,  -2.461,   0.754)  ( -1.680,  -2.461,   0.754)  ( 0.00,  0.00,  0.00)
177:     electro (  0.266,   0.147,   0.236)  (  0.266,   0.147,   0.236)  ( 0.00,  0.00,  0.00)
177: 13       ( -1.916,   4.711,  -0.986)  ( -1.911,   4.727,  -0.929)  ( 0.21,  0.35,  5.65)
177:     bond    ( -0.615,   7.046,  -1.142)  ( -0.607,   7.052,  -1.141)  ( 0.46,  0.08,  0.02)
177:     angle   (  9.671,  -9.830,   1.897)  (  9.673,  -9.828,   1.897)  ( 0.02,  0.02,  0.00)
177:     strbnd  (  1.450,  -2.787,   0.428)  (  1.450,  -2.788,   0.428)  ( 0.05,  0.05,  0.00)
177:     torsion ( -0.027,   0.521,  -1.869)  ( -0.027,   0.521,  -1.868)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.024,  -0.050,  -0.214)  (  0.019,  -0.041,  -0.158)  ( 0.01,  0.05,  1.20)
177:     vdw     (-11.109,   9.890,   1.556)  (-11.109,   9.890,   1.556)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.309,  -0.078,  -1.642)  ( -1.309,  -0.078,  -1.642)  ( 0.00,  0.00,  0.00)
177: 14       (  6.713,  -5.411,   0.328)  (  6.722,  -5.394,   0.357)  ( 0.13,  0.31,  0.96)
177:     bond    (-12.462, -21.961,   0.624)  (-12.457, -21.955,   0.624)  ( 0.04,  0.02,  0.01)
177:     angle   ( 21.478,  16.756,  -1.059)  ( 21.481,  16.758,  -1.059)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -5.263,  -1.582,  -0.270)  ( -5.263,  -1.582,  -0.270)  ( 0.01,  0.03,  0.00)
177:     torsion ( -0.035,  -0.626,   1.222)  ( -0.035,  -0.626,   1.223)  ( 0.00,  0.00,  0.11)
177:     oop     (  0.004,  -0.049,  -0.081)  (  0.005,  -0.039,  -0.053)  ( 0.00,  0.05,  0.23)
177:     vdw     (  2.604,   2.443,   0.387)  (  2.604,   2.443,   0.387)  ( 0.00,  0.00,  0.00)
177:     electro (  0.386,  -0.392,  -0.495)  (  0.386,  -0.392,  -0.495)  ( 0.00,  0.00,  0.00)
177: 15       ( -5.129,   0.613,  -0.625)  ( -5.079,   0.616,  -0.328)  ( 0.97,  0.16, 18.57)
177:     bond    ( 11.061,   5.919,  -3.067)  ( 11.066,   5.923,  -3.067)  ( 0.04,  0.08,  0.01)
177:     angle   (-12.299, -15.141,  -0.481)  (-12.297, -15.140,  -0.481)  ( 0.02,  0.01,  0.00)
177:     strbnd  ( -3.290,   0.620,   0.718)  ( -3.290,   0.620,   0.718)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.712,  -0.073,   3.004)  ( -0.712,  -0.073,   3.005)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.261,   0.034,  -1.913)  ( -0.218,   0.030,  -1.617)  ( 1.11,  0.01, 15.44)
177:     vdw     (  0.370,   9.262,   0.830)  (  0.370,   9.262,   0.830)  ( 0.00,  0.00,  0.00)
177:     electro (  0.002,  -0.007,   0.283)  (  0.002,  -0.007,   0.283)  ( 0.00,  0.00,  0.00)
177: 16       ( -0.296,   0.185,   0.933)  ( -0.303,   0.195,   0.800)  ( 0.21,  0.19, 12.45)
177:     bond    ( 14.452, -16.403,  -3.890)  ( 14.458, -16.398,  -3.890)  ( 0.04,  0.03,  0.01)
177:     angle   (-10.953,   5.321,   1.176)  (-10.951,   5.322,   1.176)  ( 0.02,  0.03,  0.00)
177:     strbnd  (  6.693,   8.480,  -0.639)  (  6.693,   8.479,  -0.639)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.233,  -0.130,   1.677)  (  0.233,  -0.130,   1.679)  ( 0.00,  0.00,  0.08)
177:     oop     (  0.089,  -0.027,   0.816)  (  0.074,  -0.024,   0.681)  ( 0.13,  0.01, 11.01)
177:     vdw     (-10.495,   2.954,   2.887)  (-10.495,   2.954,   2.887)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.314,  -0.010,  -1.094)  ( -0.314,  -0.010,  -1.094)  ( 0.00,  0.00,  0.00)
177: 17       ( -0.587,   0.280,   1.052)  ( -0.579,   0.286,   1.057)  ( 0.46,  0.17,  0.47)
177:     bond    ( 11.943,  13.623,   0.244)  ( 11.949,  13.628,   0.244)  ( 0.05,  0.04,  0.01)
177:     angle   (  1.276,  -3.469,  -0.726)  (  1.277,  -3.467,  -0.726)  ( 0.13,  0.05,  0.00)
177:     strbnd  (  0.726,  -3.329,  -0.300)  (  0.726,  -3.330,  -0.300)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.227,  -0.156,   1.421)  (  0.227,  -0.156,   1.422)  ( 0.00,  0.00,  0.09)
177:     oop     ( -0.004,   0.002,  -0.021)  ( -0.003,   0.002,  -0.018)  ( 0.00,  0.00,  0.01)
177:     vdw     (-14.498,  -6.002,   0.935)  (-14.498,  -6.002,   0.935)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.257,  -0.389,  -0.500)  ( -0.257,  -0.389,  -0.500)  ( 0.00,  0.00,  0.00)
177: 18       ( -0.846,  -0.010,   0.550)  ( -0.842,   0.000,   0.524)  ( 0.36,  0.01,  1.42)
177:     bond    ( -3.720,  10.016,   1.464)  ( -3.714,  10.021,   1.464)  ( 0.15,  0.06,  0.01)
177:     angle   (  3.372,   1.996,  -0.096)  (  3.374,   1.998,  -0.096)  ( 0.05,  0.09,  0.00)
177:     strbnd  (  1.201,  -0.848,  -0.145)  (  1.201,  -0.848,  -0.145)  ( 0.02,  0.01,  0.00)
177:     torsion (  0.005,  -0.001,   0.213)  (  0.005,  -0.001,   0.214)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.015,  -0.016,   0.164)  (  0.013,  -0.013,   0.137)  ( 0.00,  0.00,  0.45)
177:     vdw     ( -1.486, -11.784,  -0.891)  ( -1.486, -11.784,  -0.891)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.234,   0.627,  -0.159)  ( -0.234,   0.627,  -0.159)  ( 0.00,  0.00,  0.00)
177: 19       ( -0.802,  -0.231,  -0.241)  ( -0.792,  -0.227,  -0.209)  ( 0.79,  0.10,  0.77)
177:     bond    ( -3.439,  12.608,   1.190)  ( -3.434,  12.614,   1.190)  ( 0.17,  0.04,  0.02)
177:     angle   ( -7.033,   2.531,   1.010)  ( -7.031,   2.533,   1.010)  ( 0.02,  0.06,  0.01)
177:     strbnd  ( -0.939,  -6.205,  -0.494)  ( -0.939,  -6.206,  -0.494)  ( 0.02,  0.00,  0.00)
177:     torsion (  0.083,  -0.036,   0.405)  (  0.083,  -0.036,   0.406)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.015,   0.016,  -0.180)  ( -0.012,   0.013,  -0.149)  ( 0.00,  0.00,  0.55)
177:     vdw     ( 11.128,  -8.501,  -1.965)  ( 11.128,  -8.501,  -1.965)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.587,  -0.644,  -0.207)  ( -0.587,  -0.644,  -0.207)  ( 0.00,  0.00,  0.00)
177: 20       ( -0.443,  -0.226,  -0.393)  ( -0.448,  -0.219,  -0.464)  ( 0.20,  0.16,  2.79)
177:     bond    (-23.028,   1.536,   2.475)  (-23.023,   1.541,   2.475)  ( 0.02,  0.33,  0.01)
177:     angle   ( 15.846,  -1.882,  -2.254)  ( 15.848,  -1.881,  -2.254)  ( 0.01,  0.09,  0.00)
177:     strbnd  ( -4.096,   7.781,   0.817)  ( -4.097,   7.781,   0.817)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.129,   0.136,   0.405)  (  0.129,   0.136,   0.407)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.078,  -0.007,   0.518)  (  0.066,  -0.007,   0.445)  ( 0.09,  0.00,  3.76)
177:     vdw     ( 11.264,  -7.207,  -2.094)  ( 11.264,  -7.207,  -2.094)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.635,  -0.582,  -0.260)  ( -0.635,  -0.582,  -0.260)  ( 0.00,  0.00,  0.00)
177: 21       (  0.070,   0.058,   0.371)  (  0.080,  -0.012,   0.135)  ( 0.07,  0.40,  8.76)
177:     bond    (  7.503, -21.569,  13.282)  (  7.507, -21.565,  13.286)  ( 0.05,  0.02,  0.03)
177:     angle   ( -8.074,  14.944, -23.421)  ( -8.072,  14.947, -23.419)  ( 0.03,  0.01,  0.01)
177:     strbnd  (  2.250,   2.780,   1.796)  (  2.249,   2.779,   1.795)  ( 0.04,  0.04,  0.03)
177:     torsion ( -0.293,   1.133,   8.011)  ( -0.293,   1.133,   8.011)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.019,   0.274,   0.893)  ( -0.014,   0.200,   0.651)  ( 0.01,  2.04, 21.55)
177:     vdw     ( -0.617,   2.348,  -0.996)  ( -0.617,   2.348,  -0.996)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.681,   0.147,   0.808)  ( -0.681,   0.147,   0.808)  ( 0.00,  0.00,  0.00)
177: 22       (  0.335,  -0.174,   0.517)  (  0.341,  -0.168,   0.522)  ( 0.18,  0.10,  0.29)
177:     bond    ( 10.845,  -2.778,  -8.094)  ( 10.850,  -2.774,  -8.090)  ( 0.04,  0.15,  0.05)
177:     angle   ( -9.008,  -1.801,   6.507)  ( -9.006,  -1.799,   6.508)  ( 0.02,  0.10,  0.03)
177:     strbnd  (  0.507,  -2.141,   2.316)  (  0.507,  -2.141,   2.315)  ( 0.04,  0.02,  0.03)
177:     torsion (  0.379,   2.149,  -1.075)  (  0.379,   2.149,  -1.075)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.389,   4.398,   0.864)  ( -2.389,   4.398,   0.864)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       ( -0.056,  -0.173,  -0.298)  ( -0.051,  -0.167,  -0.292)  ( 0.03,  0.09,  0.18)
177:     bond    ( -9.863,  -5.250,   2.250)  ( -9.858,  -5.246,   2.255)  ( 0.04,  0.08,  0.21)
177:     angle   ( 12.507,   0.572,   0.600)  ( 12.509,   0.573,   0.602)  ( 0.02,  0.10,  0.10)
177:     strbnd  (  0.608,  -3.802,   1.723)  (  0.607,  -3.803,   1.722)  ( 0.05,  0.02,  0.03)
177:     torsion ( -1.338,   1.223,  -0.733)  ( -1.338,   1.223,  -0.733)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.970,   7.085,  -4.139)  ( -1.970,   7.085,  -4.139)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       (  0.006,  -0.005,   0.058)  (  0.012,   0.000,   0.060)  ( 0.00,  0.00,  0.02)
177:     bond    ( -0.866, -18.509,   3.882)  ( -0.862, -18.505,   3.887)  ( 0.40,  0.02,  0.12)
177:     angle   (  5.959,  26.024,  -8.109)  (  5.962,  26.026,  -8.108)  ( 0.04,  0.01,  0.02)
177:     strbnd  (-10.525,  -2.634,   0.562)  (-10.527,  -2.635,   0.562)  ( 0.02,  0.03,  0.02)
177:     torsion ( -0.876,  -1.089,   1.253)  ( -0.876,  -1.089,   1.253)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.001,   0.002,   0.014)  ( -0.000,   0.002,   0.010)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.349,  -4.597,   0.926)  (  2.349,  -4.597,   0.926)  ( 0.01,  0.00,  0.00)
177:     electro (  3.966,   0.797,   1.529)  (  3.966,   0.797,   1.529)  ( 0.00,  0.00,  0.00)
177: 25       ( -0.014,  -0.101,  -0.165)  ( -0.009,  -0.095,  -0.159)  ( 0.01,  0.06,  0.10)
177:     bond    ( -3.870,  12.275,  -0.924)  ( -3.866,  12.279,  -0.920)  ( 0.10,  0.03,  0.41)
177:     angle   ( -5.572, -18.333,   5.423)  ( -5.570, -18.330,   5.425)  ( 0.04,  0.01,  0.03)
177:     strbnd  ( -1.114,  -2.631,  -0.165)  ( -1.115,  -2.631,  -0.166)  ( 0.10,  0.02,  0.00)
177:     torsion (  3.318,  -0.490,  -3.647)  (  3.318,  -0.490,  -3.647)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.225,   9.078,  -0.852)  (  7.225,   9.078,  -0.852)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       ( -0.228,   0.018,   0.143)  ( -0.223,   0.024,   0.149)  ( 0.11,  0.01,  0.08)
177:     bond    (  4.426, -15.861,  -0.954)  (  4.429, -15.857,  -0.949)  ( 0.08,  0.03,  0.45)
177:     angle   ( -8.266,  12.873,  -7.689)  ( -8.264,  12.875,  -7.687)  ( 0.02,  0.02,  0.03)
177:     strbnd  (  1.193,   5.294,   4.137)  (  1.192,   5.293,   4.136)  ( 0.07,  0.01,  0.03)
177:     torsion ( -0.164,  -0.701,   3.652)  ( -0.164,  -0.701,   3.652)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.542,  -1.377,   0.272)  ( -0.542,  -1.377,   0.272)  ( 0.01,  0.00,  0.00)
177:     electro (  3.125,  -0.209,   0.725)  (  3.125,  -0.209,   0.725)  ( 0.00,  0.00,  0.00)
177: 27       ( -0.131,   0.200,   0.315)  ( -0.126,   0.205,   0.322)  ( 0.06,  0.11,  0.19)
177:     bond    ( -1.243,  14.723,   1.076)  ( -1.239,  14.727,   1.080)  ( 0.30,  0.03,  0.41)
177:     angle   ( -2.830, -11.271,   1.923)  ( -2.828, -11.269,   1.924)  ( 0.07,  0.02,  0.10)
177:     strbnd  (  1.105,  -0.095,   0.631)  (  1.104,  -0.095,   0.630)  ( 0.10,  0.01,  0.02)
177:     torsion (  1.263,  -4.544,  -4.977)  (  1.263,  -4.544,  -4.977)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.574,   1.387,   1.663)  (  1.574,   1.387,   1.663)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 28       ( -0.164,   0.308,   0.056)  ( -0.159,   0.314,   0.060)  ( 0.08,  0.19,  0.03)
177:     bond    ( -2.953, -11.140,   2.764)  ( -2.949, -11.136,   2.768)  ( 0.12,  0.04,  0.15)
177:     angle   ( -6.707,  11.635,   3.591)  ( -6.705,  11.637,   3.594)  ( 0.03,  0.02,  0.06)
177:     strbnd  (  1.933,  -1.383,  -4.721)  (  1.932,  -1.383,  -4.722)  ( 0.05,  0.02,  0.03)
177:     torsion ( -0.767,   1.045,   0.680)  ( -0.767,   1.045,   0.680)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.685,  -1.579,   0.134)  ( -1.684,  -1.579,   0.134)  ( 0.01,  0.00,  0.00)
177:     electro ( 10.015,   1.730,  -2.393)  ( 10.015,   1.730,  -2.393)  ( 0.00,  0.00,  0.00)
177: 29       ( -0.089,   0.132,  -0.028)  ( -0.179,   0.268,   0.043)  ( 0.80,  1.80,  0.20)
177:     bond    ( -3.268,   7.249,   5.605)  ( -3.264,   7.254,   5.609)  ( 0.11,  0.06,  0.08)
177:     angle   (  1.228,  -5.262,  -5.708)  (  1.229,  -5.261,  -5.706)  ( 0.14,  0.03,  0.04)
177:     strbnd  ( -1.075,   1.910,   2.578)  ( -1.075,   1.910,   2.578)  ( 0.06,  0.02,  0.02)
177:     torsion ( -1.983,  -2.819,  -0.108)  ( -1.983,  -2.819,  -0.108)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.919,  -1.262,  -0.629)  (  0.825,  -1.132,  -0.564)  ( 8.72, 10.33,  4.10)
177:     vdw     (  3.898,  -0.356,  -3.193)  (  3.898,  -0.356,  -3.193)  ( 0.00,  0.00,  0.00)
177:     electro (  0.191,   0.672,   1.426)  (  0.191,   0.672,   1.426)  ( 0.00,  0.00,  0.00)
177: 30       ( -1.041,   1.402,   0.516)  ( -0.321,   0.483,   0.053)  (69.21, 65.53, 23.86)
177:     bond    ( -1.273,  -3.810,   6.037)  ( -1.269,  -3.807,   6.047)  ( 0.30,  0.07,  0.16)
177:     angle   (  1.224,   1.913,   5.350)  (  1.225,   1.914,   5.352)  ( 0.15,  0.07,  0.03)
177:     strbnd  ( -1.468,   0.550,  -3.069)  ( -1.469,   0.549,  -3.071)  ( 0.07,  0.04,  0.07)
177:     torsion ( -0.091,   0.173,   0.599)  ( -0.091,   0.173,   0.599)  ( 0.00,  0.00,  0.00)
177:     oop     ( -3.638,   4.815,   2.435)  ( -2.922,   3.893,   1.963)  (19.69, 19.15, 19.39)
177:     vdw     (  6.948,  -1.148,  -6.767)  (  6.948,  -1.148,  -6.767)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.744,  -1.090,  -4.069)  ( -2.744,  -1.090,  -4.069)  ( 0.00,  0.00,  0.00)
177: 31       (  0.881,  -1.368,  -1.069)  (  0.567,  -0.962,  -0.854)  (27.76, 29.71, 20.14)
177:     bond    (  0.058,   0.328,  -0.551)  (  0.058,   0.330,  -0.546)  ( 0.00,  0.06,  0.28)
177:     angle   ( -2.127,  -1.116,  -0.901)  ( -2.127,  -1.116,  -0.901)  ( 0.03,  0.02,  0.01)
177:     strbnd  ( -0.372,  -0.811,   1.064)  ( -0.372,  -0.811,   1.064)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.357,  -0.491,  -0.258)  (  0.357,  -0.491,  -0.258)  ( 0.00,  0.00,  0.00)
177:     oop     (  1.362,  -1.784,  -0.930)  (  1.047,  -1.380,  -0.720)  (23.18, 22.66, 19.55)
177:     vdw     (  3.653,   3.015,  -1.101)  (  3.653,   3.015,  -1.101)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.050,  -0.510,   1.609)  ( -2.050,  -0.510,   1.609)  ( 0.00,  0.00,  0.00)
177: 32       ( -0.790,   1.265,   0.167)  ( -1.091,   1.654,   0.369)  (23.83, 30.79,  3.37)
177:     bond    ( -3.495,  -0.110,  -5.185)  ( -3.493,  -0.110,  -5.181)  ( 0.06,  0.00,  0.09)
177:     angle   (  0.338,   0.315,  -0.235)  (  0.339,   0.316,  -0.235)  ( 0.01,  0.02,  0.00)
177:     strbnd  (  0.426,  -0.497,   1.754)  (  0.426,  -0.497,   1.754)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.160,   0.219,   0.103)  ( -0.160,   0.219,   0.103)  ( 0.00,  0.00,  0.00)
177:     oop     (  1.355,  -1.770,  -0.876)  (  1.050,  -1.382,  -0.679)  (22.48, 21.97, 17.28)
177:     vdw     (  8.930,   2.395,  -1.527)  (  8.930,   2.395,  -1.527)  ( 0.00,  0.00,  0.00)
177:     electro ( -8.183,   0.713,   6.132)  ( -8.183,   0.713,   6.132)  ( 0.00,  0.00,  0.00)
177: 33       ( -0.924,   0.360,  -0.139)  ( -0.923,   0.367,  -0.135)  ( 0.06,  0.24,  0.05)
177:     bond    ( -0.019,  -1.678,  -1.610)  ( -0.019,  -1.671,  -1.608)  ( 0.00,  0.37,  0.18)
177:     angle   (  8.749,  -2.680,   5.549)  (  8.750,  -2.680,   5.550)  ( 0.01,  0.01,  0.02)
177:     strbnd  (  0.282,  -2.395,  -3.567)  (  0.282,  -2.395,  -3.567)  ( 0.00,  0.00,  0.01)
177:     torsion ( -0.756,   0.926,  -0.619)  ( -0.756,   0.926,  -0.619)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.059,   4.362,   2.702)  (  2.059,   4.362,   2.702)  ( 0.01,  0.00,  0.00)
177:     electro (-11.239,   1.825,  -2.594)  (-11.239,   1.825,  -2.594)  ( 0.00,  0.00,  0.00)
177: 34       (  0.039,   0.551,   0.057)  (  0.045,   0.552,   0.061)  ( 0.02,  0.04,  0.02)
177:     bond    ( 13.740,   3.045, -11.264)  ( 13.745,   3.046, -11.261)  ( 0.04,  0.01,  0.03)
177:     angle   (  3.434,  -0.862,  -3.531)  (  3.435,  -0.861,  -3.530)  ( 0.02,  0.04,  0.03)
177:     strbnd  ( -0.868,  -0.657,   2.046)  ( -0.868,  -0.658,   2.046)  ( 0.01,  0.00,  0.02)
177:     torsion ( -0.397,   0.278,   0.129)  ( -0.397,   0.278,   0.129)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.894,   2.781,   6.709)  ( -1.894,   2.781,   6.709)  ( 0.01,  0.00,  0.00)
177:     electro (-13.976,  -4.035,   5.969)  (-13.976,  -4.035,   5.969)  ( 0.00,  0.00,  0.00)
177: 35       (  0.215,  -0.454,  -0.523)  (  0.219,  -0.455,  -0.518)  ( 0.09,  0.03,  0.24)
177:     bond    (  2.204,  -0.030,  -0.236)  (  2.207,  -0.030,  -0.236)  ( 0.17,  0.00,  0.00)
177:     angle   ( -0.031,  -0.619,  -0.215)  ( -0.031,  -0.619,  -0.215)  ( 0.00,  0.04,  0.00)
177:     strbnd  ( -0.630,  -0.117,   0.028)  ( -0.630,  -0.117,   0.028)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.041,   0.142,  -0.401)  ( -0.041,   0.142,  -0.401)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.003,   0.009,  -0.025)  ( -0.002,   0.007,  -0.021)  ( 0.00,  0.00,  0.01)
177:     vdw     ( -0.755,   0.010,   0.078)  ( -0.755,   0.010,   0.078)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.529,   0.151,   0.248)  ( -0.529,   0.151,   0.248)  ( 0.00,  0.00,  0.00)
177: 36       (  0.007,  -0.633,   0.684)  (  0.009,  -0.633,   0.694)  ( 0.00,  0.02,  0.66)
177:     bond    (  1.008,  -1.858,  -0.711)  (  1.009,  -1.855,  -0.710)  ( 0.08,  0.14,  0.03)
177:     angle   ( -0.810,  -0.409,  -0.083)  ( -0.810,  -0.408,  -0.083)  ( 0.04,  0.01,  0.00)
177:     strbnd  ( -0.164,   0.654,   0.244)  ( -0.164,   0.654,   0.244)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.047,  -0.195,   0.576)  (  0.047,  -0.195,   0.577)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.004,   0.018,  -0.054)  ( -0.003,   0.015,  -0.045)  ( 0.00,  0.01,  0.05)
177:     vdw     ( -0.412,   0.629,   0.244)  ( -0.412,   0.629,   0.244)  ( 0.00,  0.00,  0.00)
177:     electro (  0.342,   0.528,   0.467)  (  0.342,   0.528,   0.467)  ( 0.00,  0.00,  0.00)
177: 37       (  0.096,  -0.359,   0.906)  (  0.097,  -0.351,   0.890)  ( 0.00,  0.30,  1.47)
177:     bond    ( -1.065,  -1.705,  -0.491)  ( -1.064,  -1.702,  -0.491)  ( 0.09,  0.15,  0.01)
177:     angle   (  2.772,  -1.525,  -0.719)  (  2.772,  -1.525,  -0.719)  ( 0.02,  0.01,  0.00)
177:     strbnd  (  0.823,   1.075,   0.277)  (  0.823,   1.075,   0.277)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.096,  -0.361,   1.046)  (  0.096,  -0.361,   1.046)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.009,  -0.035,   0.104)  (  0.007,  -0.030,   0.087)  ( 0.00,  0.02,  0.17)
177:     vdw     ( -4.611,   3.272,  -0.769)  ( -4.611,   3.272,  -0.769)  ( 0.00,  0.00,  0.00)
177:     electro (  2.074,  -1.079,   1.460)  (  2.074,  -1.079,   1.460)  ( 0.00,  0.00,  0.00)
177: 38       (  0.416,   0.331,  -1.341)  (  0.421,   0.315,  -1.283)  ( 0.22,  0.54,  4.33)
177:     bond    ( -0.610,   1.154,   0.431)  ( -0.609,   1.156,   0.432)  ( 0.05,  0.23,  0.02)
177:     angle   (  2.171,   1.091,   0.140)  (  2.172,   1.091,   0.140)  ( 0.03,  0.01,  0.00)
177:     strbnd  (  0.292,  -0.874,  -0.249)  (  0.292,  -0.874,  -0.249)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.070,   0.364,  -1.074)  ( -0.070,   0.364,  -1.074)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.025,   0.116,  -0.346)  ( -0.021,   0.097,  -0.289)  ( 0.01,  0.22,  1.99)
177:     vdw     ( -0.968,  -2.087,  -0.646)  ( -0.967,  -2.087,  -0.646)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.374,   0.569,   0.403)  ( -0.374,   0.569,   0.403)  ( 0.00,  0.00,  0.00)
177: 39       (  0.380,   0.037,  -1.541)  (  0.383,   0.036,  -1.529)  ( 0.11,  0.00,  0.79)
177:     bond    (  1.161,   1.766,   0.453)  (  1.162,   1.769,   0.453)  ( 0.09,  0.14,  0.01)
177:     angle   (  0.496,  -0.284,  -0.165)  (  0.497,  -0.284,  -0.165)  ( 0.02,  0.00,  0.00)
177:     strbnd  ( -0.428,  -0.962,  -0.256)  ( -0.428,  -0.962,  -0.256)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.154,   0.452,  -1.372)  ( -0.154,   0.452,  -1.372)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.008,   0.023,  -0.071)  ( -0.007,   0.019,  -0.059)  ( 0.00,  0.01,  0.08)
177:     vdw     ( -0.423,  -0.628,  -0.165)  ( -0.423,  -0.628,  -0.165)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.264,  -0.330,   0.035)  ( -0.264,  -0.330,   0.035)  ( 0.00,  0.00,  0.00)
177: 40       (  0.267,   2.896,  -2.083)  (  0.251,   2.749,  -1.926)  ( 0.44,  5.06,  7.51)
177:     bond    (  1.250,  -2.067,  -1.848)  (  1.251,  -2.065,  -1.846)  ( 0.07,  0.11,  0.10)
177:     angle   ( -6.227,  -1.125,  -2.962)  ( -6.226,  -1.124,  -2.961)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -0.245,  -0.553,  -0.380)  ( -0.245,  -0.553,  -0.380)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.960,  -0.598,   1.997)  (  1.960,  -0.598,   1.997)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.155,   1.094,  -1.118)  (  0.137,   0.945,  -0.964)  ( 0.28, 13.62, 13.81)
177:     vdw     ( -0.907,   0.415,  -2.870)  ( -0.907,   0.416,  -2.870)  ( 0.01,  0.00,  0.00)
177:     electro (  4.281,   5.730,   5.098)  (  4.281,   5.730,   5.098)  ( 0.00,  0.00,  0.00)
177: 41       (  0.150,  -0.326,  -1.122)  (  0.156,  -0.330,  -1.156)  ( 0.09,  0.11,  3.09)
177:     bond    (  1.745,  -1.007,   0.287)  (  1.748,  -1.006,   0.287)  ( 0.17,  0.10,  0.00)
177:     angle   (  0.464,   0.801,  -0.015)  (  0.464,   0.801,  -0.015)  ( 0.01,  0.05,  0.00)
177:     strbnd  (  0.646,   0.353,  -0.007)  (  0.646,   0.352,  -0.007)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.413,  -0.701,  -4.980)  (  0.413,  -0.701,  -4.980)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.012,   0.022,   0.147)  ( -0.009,   0.017,   0.112)  ( 0.00,  0.01,  0.51)
177:     vdw     ( -2.888,  -0.070,   2.547)  ( -2.888,  -0.069,   2.547)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.219,   0.276,   0.899)  ( -0.219,   0.276,   0.899)  ( 0.00,  0.00,  0.00)
177: 42       ( -0.022,   0.418,   1.179)  ( -0.018,   0.419,   1.187)  ( 0.01,  0.04,  0.61)
177:     bond    ( -1.375,   0.917,   0.310)  ( -1.372,   0.918,   0.310)  ( 0.19,  0.11,  0.00)
177:     angle   (  3.321,   4.944,   0.058)  (  3.321,   4.944,   0.059)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -1.480,   0.664,   0.304)  ( -1.480,   0.664,   0.304)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.662,   0.518,  -4.465)  ( -0.662,   0.518,  -4.465)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.006,   0.005,  -0.042)  ( -0.005,   0.004,  -0.035)  ( 0.00,  0.00,  0.03)
177:     vdw     ( -0.590,  -7.239,   3.112)  ( -0.590,  -7.239,   3.112)  ( 0.00,  0.00,  0.00)
177:     electro (  0.772,   0.610,   1.902)  (  0.772,   0.610,   1.902)  ( 0.00,  0.00,  0.00)
177: 43       ( -0.711,   0.449,   1.668)  ( -0.708,   0.450,   1.671)  ( 0.25,  0.04,  0.19)
177:     bond    (  1.870,   0.804,  -0.109)  (  1.873,   0.804,  -0.109)  ( 0.17,  0.05,  0.00)
177:     angle   ( -0.221,   0.524,   0.072)  ( -0.221,   0.524,   0.072)  ( 0.00,  0.03,  0.00)
177:     strbnd  ( -1.440,  -0.145,   0.136)  ( -1.440,  -0.145,   0.136)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.118,  -0.120,   1.139)  (  0.118,  -0.120,   1.139)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.002,   0.002,  -0.018)  ( -0.002,   0.002,  -0.015)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.750,  -0.350,   0.003)  ( -0.750,  -0.350,   0.003)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.286,  -0.265,   0.445)  ( -0.286,  -0.265,   0.445)  ( 0.00,  0.00,  0.00)
177: 44       ( -1.146,   0.069,   0.778)  ( -1.144,   0.072,   0.786)  ( 0.13,  0.02,  0.61)
177:     bond    (  0.202,   1.622,   0.146)  (  0.202,   1.625,   0.146)  ( 0.00,  0.23,  0.00)
177:     angle   ( -1.147,   0.132,   0.122)  ( -1.147,   0.132,   0.122)  ( 0.06,  0.00,  0.00)
177:     strbnd  ( -0.299,  -0.281,   0.005)  ( -0.299,  -0.281,   0.005)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.051,  -0.056,   0.548)  (  0.051,  -0.056,   0.549)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.004,   0.004,  -0.044)  ( -0.004,   0.004,  -0.036)  ( 0.00,  0.00,  0.03)
177:     vdw     ( -0.104,  -0.746,  -0.073)  ( -0.104,  -0.746,  -0.073)  ( 0.00,  0.00,  0.00)
177:     electro (  0.156,  -0.607,   0.072)  (  0.156,  -0.607,   0.072)  ( 0.00,  0.00,  0.00)
177: 45       ( -0.998,  -0.419,  -0.572)  ( -0.996,  -0.416,  -0.587)  ( 0.13,  0.13,  0.80)
177:     bond    ( -2.026,   1.473,   0.312)  ( -2.024,   1.474,   0.312)  ( 0.12,  0.09,  0.00)
177:     angle   ( -0.884,  -1.211,  -0.011)  ( -0.883,  -1.211,  -0.011)  ( 0.02,  0.04,  0.00)
177:     strbnd  (  0.669,   0.039,  -0.071)  (  0.669,   0.039,  -0.071)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.083,   0.075,  -0.891)  ( -0.083,   0.075,  -0.891)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.008,  -0.007,   0.085)  (  0.007,  -0.006,   0.071)  ( 0.00,  0.00,  0.12)
177:     vdw     (  0.563,  -0.681,  -0.091)  (  0.563,  -0.681,  -0.091)  ( 0.00,  0.00,  0.00)
177:     electro (  0.755,  -0.106,   0.094)  (  0.755,  -0.106,   0.094)  ( 0.00,  0.00,  0.00)
177: 46       ( -0.462,  -0.436,  -1.022)  ( -0.460,  -0.433,  -1.035)  ( 0.08,  0.10,  1.34)
177:     bond    ( -1.548,  -0.548,   0.144)  ( -1.545,  -0.547,   0.145)  ( 0.21,  0.02,  0.00)
177:     angle   ( -2.690,   7.839,   0.924)  ( -2.690,   7.840,   0.924)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  2.263,   1.431,  -0.188)  (  2.263,   1.431,  -0.188)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.041,   0.010,  -0.399)  ( -0.041,   0.010,  -0.398)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.011,  -0.007,   0.092)  (  0.009,  -0.006,   0.078)  ( 0.00,  0.00,  0.13)
177:     vdw     (  2.373, -10.506,  -1.864)  (  2.373, -10.506,  -1.864)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.829,   1.345,   0.268)  ( -0.829,   1.345,   0.268)  ( 0.00,  0.00,  0.00)
177: 47       ( -0.364,   0.001,   0.224)  ( -0.363,   0.002,   0.227)  ( 0.04,  0.00,  0.06)
177:     bond    (  2.065,   0.651,   4.277)  (  2.066,   0.651,   4.280)  ( 0.03,  0.01,  0.06)
177:     angle   ( -1.189,   0.877,   0.440)  ( -1.189,   0.878,   0.440)  ( 0.04,  0.06,  0.01)
177:     strbnd  ( -1.004,  -2.559,  -2.464)  ( -1.004,  -2.559,  -2.464)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.081,   1.012,  -0.193)  (  0.081,   1.012,  -0.193)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.317,   0.020,  -1.836)  ( -0.317,   0.020,  -1.835)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 48       (  0.158,   0.208,   0.381)  (  0.161,   0.209,   0.382)  ( 0.05,  0.03,  0.02)
177:     bond    ( -1.345,  -0.662,  -0.174)  ( -1.342,  -0.661,  -0.174)  ( 0.21,  0.04,  0.00)
177:     angle   (  2.482,  -5.347,   1.171)  (  2.482,  -5.347,   1.171)  ( 0.00,  0.01,  0.04)
177:     strbnd  ( -0.569,  -0.838,  -0.623)  ( -0.569,  -0.838,  -0.623)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.479,  -1.375,   1.531)  (  0.479,  -1.375,   1.531)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.889,   8.429,  -1.524)  ( -0.889,   8.429,  -1.524)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 49       (  0.370,  -0.684,   0.437)  (  0.371,  -0.684,   0.441)  ( 0.03,  0.03,  0.14)
177:     bond    ( -0.186,   0.025,  -0.685)  ( -0.186,   0.025,  -0.682)  ( 0.00,  0.00,  0.22)
177:     angle   (  1.336,  -2.129,  -0.442)  (  1.336,  -2.128,  -0.442)  ( 0.04,  0.02,  0.00)
177:     strbnd  (  0.611,  -0.262,  -0.310)  (  0.611,  -0.262,  -0.310)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.104,  -0.201,   0.021)  ( -0.104,  -0.201,   0.021)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.287,   1.882,   1.854)  ( -1.287,   1.882,   1.854)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 50       (  0.588,   0.088,   1.012)  (  0.589,   0.092,   1.013)  ( 0.04,  0.03,  0.07)
177:     bond    (  0.403,  -2.471,   0.627)  (  0.403,  -2.468,   0.627)  ( 0.00,  0.12,  0.01)
177:     angle   (  5.516,   0.699,  -0.794)  (  5.517,   0.699,  -0.793)  ( 0.01,  0.00,  0.04)
177:     strbnd  (  0.314,   1.208,  -0.817)  (  0.314,   1.208,  -0.817)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.531,  -0.207,  -0.474)  ( -0.531,  -0.207,  -0.474)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.114,   0.860,   2.470)  ( -5.114,   0.860,   2.470)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 51       ( -0.316,  -0.193,  -0.505)  ( -0.315,  -0.192,  -0.503)  ( 0.06,  0.02,  0.10)
177:     bond    (  0.716,  -0.298,  -0.826)  (  0.717,  -0.297,  -0.824)  ( 0.10,  0.01,  0.15)
177:     angle   (  1.189,  -5.329,   2.958)  (  1.189,  -5.328,   2.959)  ( 0.03,  0.01,  0.01)
177:     strbnd  ( -0.047,  -0.589,  -0.422)  ( -0.047,  -0.589,  -0.422)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.936,  -0.735,   1.080)  (  0.936,  -0.735,   1.080)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.110,   6.758,  -3.296)  ( -3.110,   6.758,  -3.296)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 52       ( -0.101,  -0.092,  -0.176)  ( -0.100,  -0.090,  -0.175)  ( 0.01,  0.02,  0.01)
177:     bond    (  1.134,  -2.431,   0.852)  (  1.134,  -2.428,   0.852)  ( 0.05,  0.10,  0.03)
177:     angle   ( -3.696,  -1.139,   1.674)  ( -3.696,  -1.138,   1.675)  ( 0.01,  0.01,  0.03)
177:     strbnd  ( -1.209,   1.211,  -0.450)  ( -1.209,   1.211,  -0.450)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.018,   0.060,   0.194)  ( -0.018,   0.060,   0.194)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.689,   2.206,  -2.447)  (  3.689,   2.206,  -2.447)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 53       (  0.304,  -0.091,  -0.474)  (  0.305,  -0.090,  -0.471)  ( 0.04,  0.01,  0.12)
177:     bond    ( -0.341,  -0.134,  -0.569)  ( -0.341,  -0.134,  -0.567)  ( 0.03,  0.00,  0.14)
177:     angle   (  0.912,  -4.148,   0.434)  (  0.913,  -4.147,   0.434)  ( 0.03,  0.01,  0.01)
177:     strbnd  ( -0.362,  -0.327,   0.331)  ( -0.362,  -0.327,   0.331)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.427,  -0.471,  -0.145)  (  0.427,  -0.471,  -0.145)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.333,   4.990,  -0.524)  ( -0.333,   4.990,  -0.524)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 54       (  0.047,   0.327,   0.213)  (  0.048,   0.328,   0.216)  ( 0.00,  0.04,  0.06)
177:     bond    (  0.044,   0.448,  -1.022)  (  0.044,   0.449,  -1.019)  ( 0.00,  0.02,  0.28)
177:     angle   ( -5.073,   4.709,   1.855)  ( -5.072,   4.710,   1.855)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -0.688,  -1.108,  -0.508)  ( -0.688,  -1.108,  -0.508)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.301,   0.513,   0.239)  (  0.301,   0.513,   0.239)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.463,  -4.236,  -0.352)  (  5.463,  -4.236,  -0.352)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 55       ( -0.139,  -0.301,   0.325)  ( -0.139,  -0.299,   0.327)  ( 0.01,  0.06,  0.06)
177:     bond    (  0.004,  -0.058,  -0.057)  (  0.004,  -0.056,  -0.056)  ( 0.00,  0.01,  0.01)
177:     angle   ( -0.993,   1.847,  -1.929)  ( -0.992,   1.847,  -1.929)  ( 0.07,  0.01,  0.01)
177:     strbnd  ( -0.720,  -1.271,   0.377)  ( -0.720,  -1.271,   0.377)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.101,   0.125,  -0.120)  (  0.101,   0.125,  -0.120)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.469,  -0.945,   2.055)  (  1.469,  -0.944,   2.055)  ( 0.01,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 56       ( -0.037,  -0.300,  -0.241)  ( -0.036,  -0.299,  -0.238)  ( 0.00,  0.04,  0.06)
177:     bond    (  0.176,   1.777,  -3.219)  (  0.177,   1.777,  -3.216)  ( 0.00,  0.04,  0.08)
177:     angle   ( -1.373,  -1.962,  -1.160)  ( -1.373,  -1.962,  -1.159)  ( 0.05,  0.02,  0.01)
177:     strbnd  ( -0.304,   0.067,   1.171)  ( -0.304,   0.067,   1.171)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.378,   0.531,   0.218)  ( -1.378,   0.532,   0.218)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.841,  -0.714,   2.749)  (  2.842,  -0.714,   2.749)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 57       (  0.041,   0.148,  -0.296)  (  0.041,   0.150,  -0.294)  ( 0.00,  0.03,  0.06)
177:     bond    ( -0.135,   2.007,   2.146)  ( -0.135,   2.009,   2.147)  ( 0.00,  0.08,  0.08)
177:     angle   (  0.451,  -0.692,   0.675)  (  0.452,  -0.692,   0.675)  ( 0.03,  0.02,  0.02)
177:     strbnd  ( -0.177,  -0.030,  -0.939)  ( -0.177,  -0.030,  -0.939)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.075,  -0.300,   0.213)  ( -1.075,  -0.300,   0.213)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.976,  -0.838,  -2.392)  (  0.976,  -0.838,  -2.392)  ( 0.02,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 58       ( -0.254,   0.017,  -0.064)  ( -0.254,   0.019,  -0.062)  ( 0.02,  0.00,  0.02)
177:     bond    ( -0.040,  -1.500,   1.928)  ( -0.040,  -1.499,   1.930)  ( 0.00,  0.08,  0.11)
177:     angle   ( -1.136,   1.312,   0.995)  ( -1.135,   1.312,   0.995)  ( 0.05,  0.03,  0.02)
177:     strbnd  (  0.280,  -0.457,  -0.574)  (  0.280,  -0.457,  -0.574)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.158,   0.214,   0.170)  (  0.158,   0.214,   0.170)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.484,   0.449,  -2.583)  (  0.484,   0.449,  -2.583)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 59       ( -0.039,   0.371,   0.524)  ( -0.039,   0.373,   0.526)  ( 0.00,  0.07,  0.11)
177:     bond    (  0.250,   2.246,  -2.453)  (  0.250,   2.247,  -2.451)  ( 0.00,  0.07,  0.07)
177:     angle   ( -0.227,   0.092,   0.062)  ( -0.226,   0.092,   0.062)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.193,  -0.135,   1.231)  ( -0.193,  -0.135,   1.231)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.564,   2.085,   1.969)  (  0.564,   2.085,   1.969)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.433,  -3.917,  -0.285)  ( -0.433,  -3.917,  -0.285)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 60       ( -0.063,  -0.072,   0.504)  ( -0.062,  -0.071,   0.506)  ( 0.01,  0.01,  0.13)
177:     bond    (  0.260,   1.745,   3.031)  (  0.260,   1.746,   3.033)  ( 0.00,  0.05,  0.08)
177:     angle   (  3.751,  -1.603,   0.601)  (  3.752,  -1.603,   0.601)  ( 0.02,  0.02,  0.01)
177:     strbnd  ( -0.199,  -0.015,  -1.540)  ( -0.199,  -0.015,  -1.540)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.382,   1.853,  -0.948)  ( -1.382,   1.853,  -0.948)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.493,  -2.052,  -0.640)  ( -2.493,  -2.052,  -0.640)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 61       ( -0.281,   0.189,  -0.034)  ( -0.280,   0.192,  -0.033)  ( 0.02,  0.06,  0.00)
177:     bond    (  0.133,  -2.004,   0.580)  (  0.133,  -2.001,   0.581)  ( 0.00,  0.15,  0.02)
177:     angle   (  0.076,  -0.444,  -1.547)  (  0.077,  -0.444,  -1.546)  ( 0.00,  0.00,  0.04)
177:     strbnd  ( -0.121,  -0.013,   0.295)  ( -0.121,  -0.013,   0.295)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.940,   0.033,  -0.103)  (  0.940,   0.033,  -0.103)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.309,   2.616,   0.740)  ( -1.309,   2.616,   0.740)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 62       ( -0.037,   0.359,   0.037)  ( -0.037,   0.362,   0.038)  ( 0.00,  0.10,  0.00)
177:     bond    ( -0.580,   1.889,  -0.905)  ( -0.580,   1.891,  -0.905)  ( 0.01,  0.13,  0.05)
177:     angle   ( -0.273,   0.763,   1.769)  ( -0.273,   0.763,   1.769)  ( 0.01,  0.01,  0.02)
177:     strbnd  ( -0.325,   0.488,   0.279)  ( -0.325,   0.488,   0.279)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.294,   0.792,   0.827)  (  1.294,   0.792,   0.827)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.153,  -3.573,  -1.933)  ( -0.153,  -3.573,  -1.933)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 63       ( -0.297,   0.195,   0.097)  ( -0.296,   0.196,   0.100)  ( 0.03,  0.01,  0.03)
177:     bond    (  0.610,   0.315,   1.633)  (  0.610,   0.315,   1.636)  ( 0.02,  0.00,  0.18)
177:     angle   ( -1.418,   1.386,   0.261)  ( -1.418,   1.387,   0.261)  ( 0.03,  0.03,  0.00)
177:     strbnd  ( -0.282,   0.382,   0.365)  ( -0.282,   0.382,   0.365)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.426,   0.990,  -0.350)  (  0.426,   0.990,  -0.350)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.367,  -2.878,  -1.812)  (  0.367,  -2.878,  -1.812)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 64       (  5.704,  -0.249,   0.138)  (  5.704,  -0.244,   0.139)  ( 0.00,  0.13,  0.01)
177:     bond    (  0.052,   0.524,  -0.141)  (  0.052,   0.529,  -0.141)  ( 0.00,  0.27,  0.01)
177:     angle   (  0.150,  -0.836,  -3.088)  (  0.150,  -0.836,  -3.088)  ( 0.00,  0.00,  0.02)
177:     strbnd  ( -0.049,  -0.575,   0.050)  ( -0.049,  -0.575,   0.050)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.430,  -0.034,   0.030)  (  0.430,  -0.034,   0.030)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.052,   1.173,   1.899)  (  0.052,   1.173,   1.900)  ( 0.00,  0.00,  0.00)
177:     electro (  5.069,  -0.500,   1.387)  (  5.069,  -0.500,   1.387)  ( 0.00,  0.00,  0.00)
177: 65       ( -0.114,   0.570,  -0.149)  ( -0.109,   0.571,  -0.148)  ( 0.06,  0.02,  0.01)
177:     bond    (-17.085,  -2.760,   0.383)  (-17.080,  -2.760,   0.384)  ( 0.03,  0.01,  0.00)
177:     angle   (  0.082,  -0.169,   2.424)  (  0.082,  -0.169,   2.425)  ( 0.00,  0.00,  0.02)
177:     strbnd  (  0.390,   0.135,  -0.958)  (  0.390,   0.135,  -0.958)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.084,   0.524,   0.039)  ( -0.084,   0.524,   0.039)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.216,   1.133,   7.265)  ( -1.216,   1.133,   7.265)  ( 0.00,  0.00,  0.00)
177:     electro ( 17.799,   1.709,  -9.304)  ( 17.799,   1.709,  -9.304)  ( 0.00,  0.00,  0.00)
177: ok 14 # gradients 
177: ok 15 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( -1.689,  29.086,  12.210)  ( -1.711,  29.002,  12.363)  ( 1.27,  0.29,  1.25)
177:     bond    (-17.707,   8.335,   2.191)  (-17.700,   8.340,   2.193)  ( 0.04,  0.06,  0.09)
177:     angle   ( 17.323,  25.618,  18.944)  ( 17.325,  25.620,  18.945)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -1.493,  -7.945,  -5.133)  ( -1.494,  -7.946,  -5.134)  ( 0.06,  0.01,  0.00)
177:     torsion (  0.601,   2.014,  -3.362)  (  0.601,   2.014,  -3.362)  ( 0.00,  0.01,  0.02)
177:     oop     (  0.117,   0.376,  -0.635)  (  0.088,   0.286,  -0.485)  ( 0.35,  3.38,  9.52)
177:     vdw     ( -0.601,  -0.190,  -0.199)  ( -0.601,  -0.190,  -0.199)  ( 0.00,  0.00,  0.00)
177:     electro (  0.071,   0.878,   0.403)  (  0.071,   0.878,   0.403)  ( 0.00,  0.00,  0.00)
177:  2       (-43.130,  -3.367,  -5.439)  (-43.097,  -3.287,  -5.559)  ( 0.08,  2.36,  2.20)
177:     bond    (-26.717,  -2.707,  -7.585)  (-26.711,  -2.702,  -7.583)  ( 0.02,  0.19,  0.02)
177:     angle   (-14.462,  -4.144,  -5.035)  (-14.460,  -4.143,  -5.035)  ( 0.01,  0.04,  0.01)
177:     strbnd  (  0.308,   7.811,   4.693)  (  0.308,   7.811,   4.693)  ( 0.01,  0.01,  0.01)
177:     torsion ( -0.735,  -2.026,   3.413)  ( -0.735,  -2.026,   3.414)  ( 0.00,  0.02,  0.03)
177:     oop     ( -0.154,  -0.448,   0.744)  ( -0.128,  -0.375,   0.621)  ( 0.40,  3.28,  9.11)
177:     vdw     ( -1.663,  -1.307,  -1.215)  ( -1.663,  -1.307,  -1.215)  ( 0.00,  0.00,  0.00)
177:     electro (  0.292,  -0.546,  -0.454)  (  0.292,  -0.546,  -0.454)  ( 0.00,  0.00,  0.00)
177:  3       ( 26.796,  24.803,  13.755)  ( 26.767,  24.702,  13.933)  ( 0.11,  0.40,  1.30)
177:     bond    ( 32.244,   7.181,  11.384)  ( 32.249,   7.186,  11.386)  ( 0.02,  0.06,  0.02)
177:     angle   ( -9.397,   6.895,   4.311)  ( -9.395,   6.897,   4.311)  ( 0.02,  0.02,  0.02)
177:     strbnd  (  5.047,   6.760,   5.135)  (  5.046,   6.759,   5.135)  ( 0.01,  0.01,  0.00)
177:     torsion (  1.173,   3.527,  -5.707)  (  1.173,   3.527,  -5.706)  ( 0.00,  0.01,  0.01)
177:     oop     (  0.194,   0.561,  -0.910)  (  0.158,   0.454,  -0.735)  ( 0.69,  5.96, 15.93)
177:     vdw     ( -2.822,   0.795,   0.719)  ( -2.822,   0.795,   0.719)  ( 0.00,  0.00,  0.00)
177:     electro (  0.358,  -0.916,  -1.176)  (  0.358,  -0.916,  -1.176)  ( 0.00,  0.00,  0.00)
177:  4       ( 30.208,   3.073,   6.213)  ( 30.219,   3.104,   6.463)  ( 0.04,  1.02,  4.03)
177:     bond    ( 44.923,   3.054,  10.850)  ( 44.929,   3.058,  10.852)  ( 0.01,  0.15,  0.02)
177:     angle   (-11.137,   3.853,   1.631)  (-11.135,   3.855,   1.632)  ( 0.02,  0.05,  0.04)
177:     strbnd  ( -0.803,  -4.122,  -2.305)  ( -0.804,  -4.123,  -2.306)  ( 0.08,  0.01,  0.01)
177:     torsion ( -0.049,  -0.229,  -1.535)  ( -0.049,  -0.229,  -1.535)  ( 0.00,  0.01,  0.05)
177:     oop     ( -0.023,  -0.118,  -0.821)  ( -0.020,  -0.093,  -0.574)  ( 0.01,  0.29, 20.32)
177:     vdw     ( -2.511,   0.309,  -1.489)  ( -2.511,   0.309,  -1.489)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.191,   0.327,  -0.117)  ( -0.191,   0.327,  -0.117)  ( 0.00,  0.00,  0.00)
177:  5       ( -7.948, -76.115, -41.479)  ( -7.959, -76.157, -41.393)  ( 0.13,  0.05,  0.21)
177:     bond    (  8.045, -42.089, -24.804)  (  8.052, -42.083, -24.802)  ( 0.09,  0.01,  0.01)
177:     angle   (-16.828, -30.092, -21.409)  (-16.826, -30.090, -21.409)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  5.512,  -1.560,   0.571)  (  5.511,  -1.560,   0.570)  ( 0.02,  0.01,  0.01)
177:     torsion ( -1.167,  -3.866,   6.122)  ( -1.167,  -3.866,   6.123)  ( 0.00,  0.01,  0.01)
177:     oop     (  0.067,   0.201,  -0.328)  (  0.049,   0.152,  -0.246)  ( 0.12,  0.98,  2.70)
177:     vdw     ( -3.591,   1.489,  -1.515)  ( -3.591,   1.489,  -1.515)  ( 0.00,  0.00,  0.00)
177:     electro (  0.014,  -0.198,  -0.115)  (  0.014,  -0.198,  -0.115)  ( 0.00,  0.00,  0.00)
177:  6       (-30.115,  -5.188,  10.096)  (-30.111,  -5.194,   9.573)  ( 0.01,  0.12,  5.18)
177:     bond    (-46.066,  -5.896,   0.687)  (-46.059,  -5.889,   0.688)  ( 0.01,  0.11,  0.01)
177:     angle   ( 11.582,  -5.904,   1.352)  ( 11.584,  -5.902,   1.352)  ( 0.02,  0.04,  0.01)
177:     strbnd  (  1.321,   5.298,   0.111)  (  1.319,   5.297,   0.111)  ( 0.08,  0.01,  0.00)
177:     torsion (  0.044,   1.140,   6.540)  (  0.044,   1.140,   6.541)  ( 0.00,  0.01,  0.02)
177:     oop     ( -0.012,   0.131,   2.561)  ( -0.015,   0.116,   2.037)  ( 0.00,  0.19, 20.47)
177:     vdw     (  2.802,   0.309,  -0.945)  (  2.802,   0.309,  -0.945)  ( 0.00,  0.00,  0.00)
177:     electro (  0.213,  -0.266,  -0.210)  (  0.213,  -0.266,  -0.210)  ( 0.00,  0.00,  0.00)
177:  7       ( 12.679,  86.994, -19.032)  ( 12.700,  86.952, -19.301)  ( 0.17,  0.05,  1.42)
177:     bond    ( -5.030,  48.598,  -6.009)  ( -5.023,  48.605,  -6.009)  ( 0.14,  0.01,  0.00)
177:     angle   ( 20.610,  38.351,  -5.278)  ( 20.612,  38.353,  -5.277)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -7.020,   1.621,  -1.168)  ( -7.021,   1.621,  -1.168)  ( 0.02,  0.02,  0.01)
177:     torsion (  0.098,  -1.110,  -6.501)  (  0.098,  -1.110,  -6.500)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.002,   0.211,   1.179)  (  0.015,   0.160,   0.909)  ( 0.00,  1.08, 22.95)
177:     vdw     (  4.021,  -0.905,  -1.238)  (  4.021,  -0.905,  -1.238)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.002,   0.227,  -0.017)  ( -0.002,   0.227,  -0.017)  ( 0.00,  0.00,  0.00)
177:  8       ( -0.374, -32.479,   6.496)  ( -0.364, -32.472,   6.450)  ( 0.39,  0.02,  0.71)
177:     bond    ( 17.320,  -9.193,   0.193)  ( 17.327,  -9.187,   0.193)  ( 0.04,  0.07,  0.00)
177:     angle   (-21.343, -31.556,   3.930)  (-21.342, -31.553,   3.930)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  3.117,   8.773,  -0.540)  (  3.116,   8.771,  -0.540)  ( 0.03,  0.01,  0.00)
177:     torsion (  0.062,   0.254,   3.026)  (  0.062,   0.254,   3.027)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.019,  -0.027,  -0.085)  ( -0.016,  -0.028,  -0.132)  ( 0.00,  0.00,  0.40)
177:     vdw     (  0.599,   0.238,  -0.003)  (  0.599,   0.238,  -0.003)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.111,  -0.968,  -0.025)  ( -0.111,  -0.968,  -0.025)  ( 0.00,  0.00,  0.00)
177:  9       ( 44.803,   3.914,   2.819)  ( 44.806,   3.913,   2.731)  ( 0.01,  0.03,  3.12)
177:     bond    ( 27.504,   4.642,  -1.536)  ( 27.511,   4.648,  -1.536)  ( 0.02,  0.14,  0.00)
177:     angle   ( 15.991,   5.308,  -0.805)  ( 15.993,   5.309,  -0.804)  ( 0.01,  0.04,  0.01)
177:     strbnd  ( -0.547,  -8.870,   0.817)  ( -0.547,  -8.870,   0.817)  ( 0.03,  0.01,  0.00)
177:     torsion (  0.167,   0.437,   4.249)  (  0.167,   0.437,   4.250)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.027,   0.073,   0.647)  (  0.022,   0.064,   0.558)  ( 0.01,  0.07,  5.77)
177:     vdw     (  1.899,   1.622,  -0.325)  (  1.899,   1.622,  -0.325)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.238,   0.703,  -0.227)  ( -0.238,   0.703,  -0.227)  ( 0.00,  0.00,  0.00)
177: 10       (-30.928, -25.769,  -2.929)  (-30.914, -25.703,  -2.397)  ( 0.04,  0.25, 18.16)
177:     bond    (-33.338, -10.219,   2.044)  (-33.333, -10.213,   2.044)  ( 0.02,  0.06,  0.00)
177:     angle   (  5.728,  -6.663,   4.844)  (  5.730,  -6.662,   4.844)  ( 0.04,  0.03,  0.01)
177:     strbnd  ( -5.454,  -7.832,   0.921)  ( -5.455,  -7.833,   0.921)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.215,  -0.970,  -8.075)  ( -0.215,  -0.970,  -8.074)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.036,  -0.302,  -2.716)  ( -0.029,  -0.244,  -2.185)  ( 0.02,  1.75, 19.54)
177:     vdw     (  2.593,  -1.118,   0.786)  (  2.593,  -1.118,   0.786)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.206,   1.335,  -0.734)  ( -0.206,   1.335,  -0.734)  ( 0.00,  0.00,  0.00)
177: 11       (-26.673, -22.301,   4.179)  (-26.670, -22.313,   4.011)  ( 0.01,  0.05,  4.01)
177:     bond    ( -1.917,  -0.727,  -0.074)  ( -1.913,  -0.722,  -0.070)  ( 0.20,  0.32,  0.03)
177:     angle   (-29.136, -26.052,   2.735)  (-29.134, -26.050,   2.736)  ( 0.01,  0.01,  0.05)
177:     strbnd  (  4.010,   7.688,  -1.200)  (  4.009,   7.687,  -1.200)  ( 0.01,  0.02,  0.04)
177:     torsion (  0.015,   0.059,   0.642)  (  0.015,   0.059,   0.642)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.009,   0.064,   0.656)  (  0.007,   0.046,   0.483)  ( 0.00,  0.11, 11.35)
177:     vdw     (  0.354,  -2.969,   0.608)  (  0.354,  -2.969,   0.608)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.008,  -0.365,   0.812)  ( -0.008,  -0.365,   0.812)  ( 0.00,  0.00,  0.00)
177: 12       ( -2.353,   3.616,  -2.204)  ( -2.349,   3.623,  -2.134)  ( 0.16,  0.19,  3.21)
177:     bond    ( -1.203,  -0.681,   0.064)  ( -1.200,  -0.680,   0.064)  ( 0.25,  0.07,  0.00)
177:     angle   ( -3.337,   5.858,  -0.289)  ( -3.337,   5.858,  -0.289)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  0.884,  -1.534,   0.070)  (  0.884,  -1.534,   0.070)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.026,  -0.127,  -1.856)  ( -0.026,  -0.127,  -1.856)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.003,  -0.017,  -0.242)  ( -0.002,  -0.012,  -0.171)  ( 0.00,  0.01,  1.70)
177:     vdw     (  0.644,   0.265,  -0.021)  (  0.644,   0.265,  -0.021)  ( 0.00,  0.00,  0.00)
177:     electro (  0.688,  -0.147,   0.070)  (  0.688,  -0.147,   0.070)  ( 0.00,  0.00,  0.00)
177: 13       ( -2.636,  -4.315,  -0.527)  ( -2.633,  -4.310,  -0.502)  ( 0.12,  0.11,  1.28)
177:     bond    ( -1.376,   1.267,  -0.103)  ( -1.374,   1.269,  -0.103)  ( 0.15,  0.14,  0.00)
177:     angle   ( -4.815,  -5.170,   0.545)  ( -4.815,  -5.170,   0.545)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  1.880,   0.883,  -0.174)  (  1.880,   0.883,  -0.174)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.019,  -0.089,  -0.837)  ( -0.019,  -0.089,  -0.837)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.002,  -0.010,  -0.098)  ( -0.002,  -0.008,  -0.074)  ( 0.00,  0.00,  0.23)
177:     vdw     (  1.159,  -0.292,  -0.017)  (  1.159,  -0.292,  -0.017)  ( 0.00,  0.00,  0.00)
177:     electro (  0.537,  -0.904,   0.158)  (  0.537,  -0.904,   0.158)  ( 0.00,  0.00,  0.00)
177: 14       ( 26.387,  19.947,  15.099)  ( 26.412,  20.010,  15.009)  ( 0.09,  0.32,  0.60)
177:     bond    (  2.000,   0.807,   0.393)  (  2.004,   0.812,   0.397)  ( 0.19,  0.36,  0.17)
177:     angle   ( 29.017,  24.625,  15.667)  ( 29.019,  24.627,  15.669)  ( 0.01,  0.01,  0.01)
177:     strbnd  ( -3.684,  -7.464,  -4.429)  ( -3.685,  -7.465,  -4.430)  ( 0.02,  0.01,  0.02)
177:     torsion ( -0.089,  -0.284,   0.463)  ( -0.089,  -0.284,   0.463)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.074,  -0.220,   0.362)  ( -0.055,  -0.162,   0.267)  ( 0.14,  1.28,  3.46)
177:     vdw     ( -0.663,   2.502,   1.775)  ( -0.663,   2.502,   1.775)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.120,  -0.020,   0.867)  ( -0.120,  -0.020,   0.867)  ( 0.00,  0.00,  0.00)
177: 15       (  2.734,  -4.218,  -1.241)  (  2.755,  -4.158,  -1.336)  ( 0.79,  1.41,  7.69)
177:     bond    (  1.169,   0.545,   0.557)  (  1.172,   0.545,   0.558)  ( 0.23,  0.03,  0.03)
177:     angle   (  3.953,  -5.603,  -2.827)  (  3.953,  -5.602,  -2.827)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -0.998,   1.310,   0.666)  ( -0.998,   1.310,   0.666)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.049,  -0.169,   0.268)  ( -0.049,  -0.169,   0.269)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.064,  -0.204,   0.334)  ( -0.045,  -0.145,   0.237)  ( 0.12,  1.19,  3.22)
177:     vdw     ( -0.604,  -0.224,  -0.242)  ( -0.604,  -0.224,  -0.242)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.672,   0.127,   0.003)  ( -0.672,   0.127,   0.003)  ( 0.00,  0.00,  0.00)
177: 16       (  2.391,   3.742,   2.202)  (  2.389,   3.731,   2.224)  ( 0.08,  0.30,  0.99)
177:     bond    (  1.377,  -1.119,  -0.400)  (  1.379,  -1.118,  -0.400)  ( 0.16,  0.13,  0.01)
177:     angle   (  4.447,   4.280,   3.375)  (  4.447,   4.280,   3.375)  ( 0.01,  0.01,  0.01)
177:     strbnd  ( -1.774,  -0.686,  -0.825)  ( -1.774,  -0.686,  -0.825)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.054,   0.148,  -0.229)  (  0.054,   0.148,  -0.229)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.018,   0.053,  -0.087)  (  0.013,   0.040,  -0.065)  ( 0.01,  0.07,  0.18)
177:     vdw     ( -1.150,   0.297,  -0.072)  ( -1.149,   0.297,  -0.072)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.582,   0.770,   0.440)  ( -0.582,   0.770,   0.440)  ( 0.00,  0.00,  0.00)
177: 17       ( 12.700,  29.735,  18.160)  ( 12.714,  29.776,  18.099)  ( 0.11,  0.14,  0.34)
177:     bond    ( -3.169,  26.110,  15.008)  ( -3.169,  26.113,  15.009)  ( 0.01,  0.01,  0.01)
177:     angle   ( 14.067,   0.347,   2.366)  ( 14.068,   0.347,   2.366)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.226,   2.694,   1.435)  ( -0.226,   2.694,   1.435)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.187,   0.538,  -0.897)  (  0.187,   0.538,  -0.897)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.055,  -0.172,   0.287)  ( -0.042,  -0.134,   0.224)  ( 0.07,  0.65,  1.81)
177:     vdw     ( -0.563,  -0.467,  -0.562)  ( -0.563,  -0.467,  -0.562)  ( 0.00,  0.00,  0.00)
177:     electro (  2.460,   0.686,   0.523)  (  2.460,   0.686,   0.523)  ( 0.00,  0.00,  0.00)
177: 18       (-16.599, -32.980,  10.375)  (-16.606, -32.943,  10.559)  ( 0.04,  0.11,  1.78)
177:     bond    (  1.321, -29.709,   5.246)  (  1.321, -29.705,   5.247)  ( 0.01,  0.01,  0.01)
177:     angle   (-16.050,  -0.489,   1.274)  (-16.050,  -0.489,   1.274)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  0.072,  -3.233,   0.861)  (  0.072,  -3.233,   0.861)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.052,   0.751,   4.265)  ( -0.052,   0.751,   4.266)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.009,  -0.150,  -0.851)  (  0.001,  -0.118,  -0.667)  ( 0.01,  0.48, 15.66)
177:     vdw     (  0.603,   0.572,  -0.221)  (  0.603,   0.572,  -0.221)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.501,  -0.722,  -0.200)  ( -2.501,  -0.722,  -0.200)  ( 0.00,  0.00,  0.00)
177: 19       ( -9.549, -16.055,  -9.499)  ( -9.547, -16.054,  -9.498)  ( 0.02,  0.01,  0.01)
177:     bond    (  6.549,  -6.489,  -5.236)  (  6.550,  -6.488,  -5.235)  ( 0.02,  0.02,  0.02)
177:     angle   (-15.891, -11.333,  -5.837)  (-15.890, -11.333,  -5.837)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -1.046,   0.503,   0.436)  ( -1.046,   0.503,   0.436)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.839,   1.264,   1.139)  (  0.839,   1.264,   1.139)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       ( -6.872,  -6.628,  -8.449)  ( -6.870,  -6.627,  -8.448)  ( 0.02,  0.01,  0.02)
177:     bond    ( -7.287,   3.445,  -8.054)  ( -7.286,   3.445,  -8.052)  ( 0.02,  0.01,  0.02)
177:     angle   ( -1.156, -10.327,  -3.372)  ( -1.156, -10.326,  -3.372)  ( 0.02,  0.01,  0.01)
177:     strbnd  (  1.415,  -1.060,   1.430)  (  1.415,  -1.060,   1.430)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.156,   1.313,   1.547)  (  0.156,   1.313,   1.547)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 21       ( -5.154, -11.419,  -3.897)  ( -5.153, -11.418,  -3.895)  ( 0.02,  0.01,  0.04)
177:     bond    ( -5.951,  -7.142,   6.246)  ( -5.950,  -7.141,   6.247)  ( 0.02,  0.02,  0.02)
177:     angle   ( -0.744,  -6.990,  -8.698)  ( -0.743,  -6.990,  -8.698)  ( 0.02,  0.00,  0.01)
177:     strbnd  (  1.377,   1.441,  -1.809)  (  1.377,   1.441,  -1.809)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.163,   1.273,   0.365)  (  0.163,   1.273,   0.365)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       (  6.707,  14.950,  -4.095)  (  6.709,  14.951,  -4.094)  ( 0.04,  0.00,  0.03)
177:     bond    ( 10.180,   0.038,  -5.182)  ( 10.183,   0.038,  -5.181)  ( 0.02,  0.00,  0.01)
177:     angle   ( -0.643,  16.864,  -1.139)  ( -0.642,  16.864,  -1.139)  ( 0.01,  0.00,  0.03)
177:     strbnd  ( -2.565,   0.430,   1.327)  ( -2.565,   0.430,   1.327)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.266,  -2.382,   0.899)  ( -0.266,  -2.382,   0.899)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       (  7.712,   7.044,   4.929)  (  7.712,   7.045,   4.931)  ( 0.01,  0.01,  0.05)
177:     bond    (  2.115,   4.636,   9.930)  (  2.115,   4.637,   9.932)  ( 0.01,  0.01,  0.02)
177:     angle   (  6.274,   3.725,  -3.075)  (  6.274,   3.725,  -3.075)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -0.199,  -0.342,  -1.642)  ( -0.199,  -0.342,  -1.642)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.477,  -0.975,  -0.284)  ( -0.477,  -0.975,  -0.284)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       ( 10.798,  13.827,  -7.791)  ( 10.799,  13.829,  -7.790)  ( 0.01,  0.01,  0.02)
177:     bond    ( -5.076,   7.231,  -5.839)  ( -5.075,   7.232,  -5.838)  ( 0.01,  0.02,  0.02)
177:     angle   ( 15.920,   8.574,  -3.218)  ( 15.920,   8.575,  -3.218)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  0.876,  -0.556,   0.755)  (  0.876,  -0.556,   0.755)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.922,  -1.422,   0.511)  ( -0.922,  -1.422,   0.511)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 16 # gradients 
177: ok 17 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
178: # Testing MMFF94 Force Field...
178: ok 1 # energy 
178: ----------------------------------------------------------------------------------------
178:                                                                                         
178:   VALIDATE GRADIENTS : cudpas.xyz
178:                                                                                         
178:                                                                                         
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (  0.007,  -0.034,  -0.015)  (  0.020,  -0.030,  -0.011)  ( 0.01,  0.01,  0.01)
178:     bond    ( -0.627,  15.886,  -4.916)  ( -0.627,  15.888,  -4.911)  ( 0.02,  0.01,  0.10)
178:     angle   (  0.285,  -5.925,   1.613)  (  0.285,  -5.923,   1.613)  ( 0.00,  0.03,  0.02)
178:     strbnd  (  0.281,  -0.139,   0.833)  (  0.281,  -0.139,   0.834)  ( 0.00,  0.00,  0.06)
178:     torsion (  1.474,  -0.034,  -0.301)  (  1.475,  -0.034,  -0.301)  ( 0.05,  0.00,  0.00)
178:     oop     ( -0.070,   0.000,   0.013)  ( -0.058,   0.000,   0.010)  ( 0.08,  0.00,  0.00)
178:     vdw     (  0.215,  -8.567,   1.182)  (  0.215,  -8.567,   1.182)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.551,  -1.255,   1.561)  ( -1.551,  -1.255,   1.561)  ( 0.00,  0.00,  0.00)
178:  2       (  0.000,   0.058,   0.027)  (  0.024,   0.065,   0.030)  ( 0.00,  0.04,  0.01)
178:     bond    ( -2.164,  -2.951,  -9.934)  ( -2.163,  -2.945,  -9.929)  ( 0.01,  0.20,  0.05)
178:     angle   ( -0.734,   3.034,  -3.472)  ( -0.734,   3.036,  -3.470)  ( 0.01,  0.06,  0.05)
178:     strbnd  ( -0.457,   4.090,  -1.781)  ( -0.457,   4.089,  -1.781)  ( 0.00,  0.01,  0.01)
178:     torsion ( -0.364,   0.018,   0.072)  ( -0.363,   0.018,   0.072)  ( 0.04,  0.00,  0.00)
178:     oop     ( -0.132,  -0.000,   0.028)  ( -0.109,  -0.000,   0.023)  ( 0.29,  0.00,  0.01)
178:     vdw     (  2.945,  -6.240,  14.926)  (  2.945,  -6.240,  14.926)  ( 0.00,  0.00,  0.00)
178:     electro (  0.905,   2.108,   0.188)  (  0.905,   2.108,   0.188)  ( 0.00,  0.00,  0.00)
178:  3       ( -0.013,  -0.134,  -0.004)  ( -0.081,  -0.127,   0.017)  ( 0.09,  0.09,  0.01)
178:     bond    ( -2.856,   1.520, -14.141)  ( -2.856,   1.526, -14.136)  ( 0.01,  0.37,  0.04)
178:     angle   (  0.155,   3.466,   1.738)  (  0.155,   3.468,   1.740)  ( 0.00,  0.05,  0.09)
178:     strbnd  ( -0.578,  -2.580,  -2.569)  ( -0.578,  -2.580,  -2.569)  ( 0.00,  0.01,  0.00)
178:     torsion (  5.075,   0.158,  -0.979)  (  5.077,   0.158,  -0.979)  ( 0.02,  0.00,  0.00)
178:     oop     (  0.439,   0.006,  -0.089)  (  0.369,   0.005,  -0.074)  ( 3.06,  0.00,  0.13)
178:     vdw     ( -0.451,   3.238,  15.457)  ( -0.451,   3.238,  15.457)  ( 0.00,  0.01,  0.00)
178:     electro ( -1.798,  -5.942,   0.580)  ( -1.798,  -5.942,   0.580)  ( 0.00,  0.00,  0.00)
178:  4       (  0.002,   0.065,  -0.009)  (  0.146,   0.078,   0.012)  ( 0.03,  0.08,  0.02)
178:     bond    (  0.739,  -9.087,   3.961)  (  0.739,  -9.082,   3.966)  ( 0.03,  0.05,  0.13)
178:     angle   (  9.507,   2.833,   4.739)  (  9.507,   2.835,   4.740)  ( 0.00,  0.07,  0.03)
178:     strbnd  ( -2.902,   7.782,  -9.865)  ( -2.902,   7.782,  -9.865)  ( 0.01,  0.00,  0.00)
178:     torsion ( -1.466,  -0.116,   0.262)  ( -1.465,  -0.116,   0.263)  ( 0.07,  0.00,  0.00)
178:     oop     ( -0.861,  -0.029,   0.012)  ( -0.719,  -0.023,   0.026)  (12.21,  0.02,  0.02)
178:     vdw     ( -5.002,  -2.445,  -0.447)  ( -5.002,  -2.445,  -0.447)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.012,   1.128,   1.328)  ( -0.012,   1.127,   1.328)  ( 0.00,  0.00,  0.00)
178:  5       (  0.005,  -0.046,   0.001)  ( -0.130,  -0.039,   0.034)  ( 0.07,  0.03,  0.00)
178:     bond    (  3.837,  -3.968,  21.878)  (  3.837,  -3.963,  21.884)  ( 0.01,  0.13,  0.03)
178:     angle   (  0.847, -10.923,   3.951)  (  0.847, -10.921,   3.952)  ( 0.01,  0.02,  0.05)
178:     strbnd  ( -1.746,  12.103, -11.050)  ( -1.746,  12.103, -11.050)  ( 0.01,  0.00,  0.01)
178:     torsion ( -3.129,  -0.067,   0.763)  ( -3.128,  -0.067,   0.763)  ( 0.04,  0.00,  0.00)
178:     oop     (  0.796,   0.002,  -0.144)  (  0.659,   0.002,  -0.119)  (10.87,  0.00,  0.36)
178:     vdw     ( -1.003,   0.572, -15.165)  ( -1.003,   0.573, -15.165)  ( 0.00,  0.01,  0.00)
178:     electro (  0.403,   2.234,  -0.231)  (  0.403,   2.234,  -0.231)  ( 0.00,  0.00,  0.00)
178:  6       ( -0.014,   0.019,  -0.059)  ( -0.034,   0.026,  -0.048)  ( 0.03,  0.01,  0.07)
178:     bond    (  2.360,   2.726,  12.251)  (  2.360,   2.732,  12.256)  ( 0.01,  0.21,  0.04)
178:     angle   ( -0.066,   1.649,  -0.869)  ( -0.066,   1.650,  -0.868)  ( 0.00,  0.11,  0.16)
178:     strbnd  (  0.208,   6.438,   1.157)  (  0.208,   6.438,   1.157)  ( 0.00,  0.01,  0.00)
178:     torsion ( -0.540,   0.017,   0.090)  ( -0.539,   0.017,   0.090)  ( 0.06,  0.00,  0.00)
178:     oop     (  0.087,  -0.000,  -0.019)  (  0.064,  -0.000,  -0.014)  ( 0.19,  0.00,  0.01)
178:     vdw     ( -2.723, -10.804, -13.580)  ( -2.723, -10.804, -13.580)  ( 0.00,  0.00,  0.00)
178:     electro (  0.661,  -0.008,   0.910)  (  0.661,  -0.008,   0.910)  ( 0.00,  0.00,  0.00)
178:  7       ( -0.000,  -0.025,   0.003)  (  0.044,  -0.019,  -0.000)  ( 0.00,  0.02,  0.00)
178:     bond    ( -0.276,   9.120,  -8.956)  ( -0.276,   9.125,  -8.952)  ( 0.01,  0.06,  0.04)
178:     angle   ( -2.902,   6.048,  -7.259)  ( -2.902,   6.049,  -7.258)  ( 0.00,  0.01,  0.01)
178:     strbnd  (  4.031,  -4.453,  22.176)  (  4.031,  -4.453,  22.175)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.760,  -0.466,  -0.265)  (  0.760,  -0.466,  -0.265)  ( 0.02,  0.00,  0.00)
178:     oop     ( -0.230,   0.002,   0.039)  ( -0.186,   0.002,   0.031)  ( 1.01,  0.00,  0.03)
178:     vdw     (  1.328,  -4.801,  -4.259)  (  1.328,  -4.800,  -4.259)  ( 0.00,  0.00,  0.00)
178:     electro ( -2.711,  -5.475,  -1.472)  ( -2.711,  -5.475,  -1.472)  ( 0.00,  0.00,  0.00)
178:  8       ( -0.053,   0.027,  -0.033)  ( -0.216,  -0.497,  -0.226)  ( 0.87,  1.39,  0.64)
178:     bond    ( -3.938,   9.942,  -2.316)  ( -3.934,   9.949,  -2.315)  ( 0.12,  0.07,  0.05)
178:     angle   ( -3.540, -17.066,  -4.696)  ( -3.538, -17.064,  -4.695)  ( 0.04,  0.01,  0.02)
178:     strbnd  (  4.437,  -1.012,   2.201)  (  4.437,  -1.013,   2.201)  ( 0.01,  0.09,  0.00)
178:     torsion (  2.311,  -0.228,  -0.758)  (  2.312,  -0.228,  -0.757)  ( 0.01,  0.00,  0.04)
178:     oop     (  1.408,   4.166,   1.238)  (  1.240,   3.633,   1.042)  (11.95, 12.78, 15.83)
178:     vdw     ( -0.128,   4.264,   1.509)  ( -0.128,   4.264,   1.509)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.604,  -0.039,   2.789)  ( -0.604,  -0.039,   2.789)  ( 0.00,  0.00,  0.00)
178:  9       (  0.038,  -0.049,   0.024)  (  0.022,  -0.042,   0.070)  ( 0.06,  0.04,  0.11)
178:     bond    ( -6.811, -11.830,  -2.866)  ( -6.806, -11.826,  -2.865)  ( 0.08,  0.03,  0.04)
178:     angle   ( -5.541,  23.308,  -2.368)  ( -5.540,  23.310,  -2.368)  ( 0.01,  0.01,  0.01)
178:     strbnd  ( -9.346, -15.538,  -3.964)  ( -9.346, -15.538,  -3.964)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.130,   0.142,  -0.104)  ( -0.130,   0.142,  -0.103)  ( 0.00,  0.00,  0.01)
178:     oop     (  0.089,  -0.009,  -0.185)  (  0.068,  -0.007,  -0.140)  ( 0.19,  0.00,  0.82)
178:     vdw     (  4.010,   3.065,   1.034)  (  4.010,   3.065,   1.034)  ( 0.00,  0.00,  0.00)
178:     electro ( 17.767,   0.813,   8.478)  ( 17.767,   0.813,   8.478)  ( 0.00,  0.00,  0.00)
178: 10       ( -0.019,   0.024,  -0.011)  ( -0.016,   0.025,  -0.010)  ( 0.01,  0.00,  0.00)
178:     bond    ( -2.271,   0.707,  -0.996)  ( -2.268,   0.707,  -0.996)  ( 0.12,  0.02,  0.05)
178:     angle   ( -3.799, -14.334,  -1.531)  ( -3.799, -14.334,  -1.531)  ( 0.00,  0.00,  0.00)
178:     strbnd  ( -3.911,   0.756,  -1.713)  ( -3.911,   0.756,  -1.713)  ( 0.00,  0.01,  0.00)
178:     torsion ( -1.084,   0.022,   2.483)  ( -1.084,   0.022,   2.483)  ( 0.00,  0.00,  0.01)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 12.753,  14.661,   1.096)  ( 12.753,  14.662,   1.096)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.708,  -1.788,   0.651)  ( -1.708,  -1.788,   0.651)  ( 0.00,  0.00,  0.00)
178: 11       (  0.015,  -0.026,   0.001)  (  0.771,   2.628,   0.451)  ( 1.12,  6.89,  0.06)
178:     bond    (  3.189,  -2.270,  -2.910)  (  3.195,  -2.269,  -2.901)  ( 0.19,  0.03,  0.31)
178:     angle   (-10.982,  12.274, -10.144)  (-10.980,  12.275, -10.142)  ( 0.02,  0.01,  0.02)
178:     strbnd  (  9.932,  -4.142,   5.975)  (  9.932,  -4.142,   5.974)  ( 0.01,  0.00,  0.01)
178:     torsion (  1.366,   0.855,  -1.969)  (  1.366,   0.855,  -1.969)  ( 0.00,  0.01,  0.00)
178:     oop     ( -4.523, -15.083,  -2.694)  ( -3.775, -12.431,  -2.255)  (16.55, 17.58, 16.29)
178:     vdw     ( -4.277,   7.452,   2.371)  ( -4.277,   7.452,   2.371)  ( 0.00,  0.00,  0.00)
178:     electro (  5.310,   0.888,   9.373)  (  5.310,   0.888,   9.373)  ( 0.00,  0.00,  0.00)
178: 12       ( -0.011,   0.000,   0.007)  ( -0.290,  -1.084,  -0.175)  ( 0.29,  0.02,  0.14)
178:     bond    ( 10.583,  -1.441,  -7.782)  ( 10.587,  -1.441,  -7.780)  ( 0.04,  0.01,  0.03)
178:     angle   (  6.221,  -3.313,   9.078)  (  6.221,  -3.312,   9.079)  ( 0.01,  0.00,  0.01)
178:     strbnd  (  0.003,  -0.237,   0.497)  (  0.003,  -0.237,   0.497)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.228,  -0.717,  -0.178)  ( -0.228,  -0.717,  -0.178)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.512,   5.503,   1.038)  (  1.228,   4.419,   0.853)  (18.78, 19.70, 17.87)
178:     vdw     ( -3.491,   1.297,  -0.137)  ( -3.491,   1.297,  -0.137)  ( 0.00,  0.00,  0.00)
178:     electro (-14.610,  -1.093,  -2.508)  (-14.609,  -1.093,  -2.508)  ( 0.00,  0.00,  0.00)
178: 13       ( -0.004,   0.006,  -0.028)  ( -0.292,  -1.034,  -0.161)  ( 0.12,  0.58,  0.38)
178:     bond    ( -0.347,  -2.236,  17.411)  ( -0.347,  -2.236,  17.418)  ( 0.00,  0.01,  0.04)
178:     angle   (  8.341,  -2.202,  -0.117)  (  8.342,  -2.202,  -0.117)  ( 0.01,  0.01,  0.00)
178:     strbnd  (  0.537,  -0.164,  -1.098)  (  0.537,  -0.164,  -1.098)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.007,   0.019,   0.003)  (  0.007,   0.019,   0.003)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.643,   5.440,   0.731)  (  1.355,   4.400,   0.592)  (17.57, 19.11, 10.18)
178:     vdw     ( -4.303,   6.079,  -2.483)  ( -4.303,   6.079,  -2.483)  ( 0.00,  0.00,  0.00)
178:     electro ( -5.883,  -6.929, -14.476)  ( -5.883,  -6.929, -14.476)  ( 0.00,  0.00,  0.00)
178: 14       ( -0.006,   0.009,  -0.025)  ( -0.009,   0.010,  -0.021)  ( 0.00,  0.00,  0.01)
178:     bond    ( -0.262,   0.572,  -1.210)  ( -0.262,   0.573,  -1.207)  ( 0.00,  0.04,  0.25)
178:     angle   (  0.025,   0.262,   0.119)  (  0.025,   0.263,   0.119)  ( 0.00,  0.02,  0.00)
178:     strbnd  ( -0.068,  -0.555,  -0.311)  ( -0.068,  -0.555,  -0.311)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.529,  -0.000,   0.115)  ( -0.529,  -0.000,   0.115)  ( 0.01,  0.00,  0.00)
178:     oop     (  0.026,   0.000,  -0.006)  (  0.022,   0.000,  -0.005)  ( 0.01,  0.00,  0.00)
178:     vdw     (  0.090,  -0.573,   0.418)  (  0.090,  -0.573,   0.418)  ( 0.00,  0.00,  0.00)
178:     electro (  0.711,   0.304,   0.851)  (  0.711,   0.304,   0.851)  ( 0.00,  0.00,  0.00)
178: 15       (  0.011,   0.025,   0.020)  (  0.026,   0.027,   0.019)  ( 0.02,  0.00,  0.00)
178:     bond    ( -0.317,  -1.110,  -1.455)  ( -0.317,  -1.109,  -1.453)  ( 0.00,  0.12,  0.16)
178:     angle   (  0.046,  -0.282,   0.205)  (  0.046,  -0.282,   0.205)  ( 0.00,  0.01,  0.00)
178:     strbnd  ( -0.095,   0.271,  -0.498)  ( -0.095,   0.271,  -0.498)  ( 0.00,  0.00,  0.00)
178:     torsion ( -1.381,   0.015,   0.290)  ( -1.380,   0.015,   0.290)  ( 0.02,  0.00,  0.00)
178:     oop     ( -0.079,   0.000,   0.017)  ( -0.065,   0.000,   0.014)  ( 0.11,  0.00,  0.01)
178:     vdw     ( -0.910,  -2.950,   3.814)  ( -0.910,  -2.950,   3.814)  ( 0.00,  0.00,  0.00)
178:     electro (  2.748,   4.081,  -2.353)  (  2.748,   4.081,  -2.353)  ( 0.00,  0.00,  0.00)
178: 16       ( -0.000,  -0.001,   0.020)  (  0.015,   0.001,   0.020)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.218,   1.033,   1.174)  (  0.219,   1.034,   1.176)  ( 0.00,  0.16,  0.18)
178:     angle   ( -0.076,   0.463,  -0.393)  ( -0.076,   0.463,  -0.393)  ( 0.00,  0.02,  0.01)
178:     strbnd  (  0.016,  -0.834,   0.057)  (  0.016,  -0.834,   0.057)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.089,  -0.002,   0.018)  ( -0.089,  -0.002,   0.018)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.109,   0.000,   0.020)  ( -0.094,   0.000,   0.017)  ( 0.17,  0.00,  0.01)
178:     vdw     (  0.013,  -2.157,   0.235)  (  0.013,  -2.157,   0.235)  ( 0.00,  0.00,  0.00)
178:     electro (  0.026,   1.497,  -1.090)  (  0.026,   1.496,  -1.090)  ( 0.00,  0.00,  0.00)
178: 17       ( -0.000,   0.006,  -0.002)  ( -0.000,   0.011,  -0.001)  ( 0.00,  0.00,  0.00)
178:     bond    ( -1.080,  -6.670,   0.744)  ( -1.080,  -6.665,   0.744)  ( 0.02,  0.08,  0.01)
178:     angle   (  2.207,   0.691,   9.393)  (  2.207,   0.691,   9.393)  ( 0.00,  0.00,  0.00)
178:     strbnd  ( -0.344,  -1.784,  -0.047)  ( -0.344,  -1.784,  -0.047)  ( 0.00,  0.00,  0.00)
178:     torsion ( -2.062,   0.385,   0.456)  ( -2.062,   0.385,   0.456)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.933,  -2.094,  -5.972)  (  0.933,  -2.094,  -5.971)  ( 0.00,  0.00,  0.00)
178:     electro (  0.346,   9.478,  -4.577)  (  0.346,   9.478,  -4.577)  ( 0.00,  0.00,  0.00)
178: ok 2 # gradients 
178: ok 3 # energy 
178: ----------------------------------------------------------------------------------------
178:                                                                                         
178:   VALIDATE GRADIENTS : fadvub.xyz
178:                                                                                         
178:                                                                                         
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (  0.032,  -0.022,  -0.017)  (  0.040,  -0.014,  -0.012)  ( 0.03,  0.02,  0.01)
178:     bond    (  4.193,  -0.133,   4.673)  (  4.200,  -0.126,   4.676)  ( 0.15,  0.09,  0.07)
178:     angle   (-17.099,  -3.471,  -8.358)  (-17.096,  -3.469,  -8.356)  ( 0.01,  0.07,  0.03)
178:     strbnd  (  4.695,   5.793,   5.057)  (  4.694,   5.792,   5.057)  ( 0.02,  0.01,  0.01)
178:     torsion ( -0.415,  -0.232,   3.381)  ( -0.415,  -0.232,   3.381)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.119,  -2.488,  -2.762)  ( -0.119,  -2.488,  -2.762)  ( 0.00,  0.00,  0.00)
178:     electro (  8.777,   0.508,  -2.008)  (  8.777,   0.508,  -2.008)  ( 0.00,  0.00,  0.00)
178:  2       ( -0.013,   0.003,   0.000)  ( -0.008,   0.006,   0.001)  ( 0.01,  0.00,  0.00)
178:     bond    (  1.103,  -0.872,   0.032)  (  1.108,  -0.869,   0.032)  ( 0.43,  0.26,  0.00)
178:     angle   (  5.971,   7.760,   4.115)  (  5.971,   7.760,   4.115)  ( 0.00,  0.01,  0.02)
178:     strbnd  ( -1.798,   1.228,  -0.204)  ( -1.798,   1.228,  -0.204)  ( 0.00,  0.01,  0.00)
178:     torsion ( -0.240,  -0.377,  -1.934)  ( -0.240,  -0.377,  -1.934)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -3.447,  -0.778,  -4.529)  ( -3.447,  -0.778,  -4.529)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.601,  -6.958,   2.522)  ( -1.601,  -6.958,   2.522)  ( 0.00,  0.00,  0.00)
178:  3       ( -0.004,   0.032,   0.024)  ( -0.000,   0.037,   0.026)  ( 0.00,  0.02,  0.00)
178:     bond    (  2.117,   3.479,   0.356)  (  2.120,   3.484,   0.357)  ( 0.15,  0.14,  0.04)
178:     angle   (  5.205,   1.489,   6.637)  (  5.206,   1.489,   6.638)  ( 0.02,  0.02,  0.01)
178:     strbnd  (  0.649,  -4.129,  -1.875)  (  0.649,  -4.130,  -1.875)  ( 0.00,  0.01,  0.01)
178:     torsion ( -1.574,   1.955,  -4.025)  ( -1.574,   1.955,  -4.025)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -1.957,  -2.115,  -2.420)  ( -1.957,  -2.115,  -2.420)  ( 0.00,  0.00,  0.00)
178:     electro ( -4.445,  -0.646,   1.351)  ( -4.445,  -0.646,   1.351)  ( 0.00,  0.00,  0.00)
178:  4       (  0.013,   0.008,   0.009)  (  0.018,   0.014,   0.015)  ( 0.01,  0.00,  0.01)
178:     bond    ( -4.350,  -2.902,   1.332)  ( -4.346,  -2.898,   1.336)  ( 0.09,  0.15,  0.33)
178:     angle   (  2.535,   3.636,  -0.898)  (  2.537,   3.638,  -0.897)  ( 0.07,  0.05,  0.15)
178:     strbnd  ( -0.741,  -1.162,   0.765)  ( -0.742,  -1.163,   0.764)  ( 0.06,  0.04,  0.04)
178:     torsion (  0.668,  -0.672,   0.545)  (  0.668,  -0.672,   0.545)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.251,   0.436,  -2.285)  (  0.251,   0.436,  -2.285)  ( 0.00,  0.00,  0.00)
178:     electro (  1.651,   0.673,   0.551)  (  1.651,   0.673,   0.551)  ( 0.00,  0.00,  0.00)
178:  5       ( -0.017,  -0.028,  -0.024)  ( -0.011,  -0.023,  -0.020)  ( 0.01,  0.01,  0.01)
178:     bond    ( -5.276,  10.539,   0.735)  ( -5.272,  10.543,   0.738)  ( 0.08,  0.04,  0.23)
178:     angle   (  5.214, -11.328,   4.079)  (  5.216, -11.326,   4.081)  ( 0.04,  0.02,  0.05)
178:     strbnd  (  0.208,   1.026,  -1.791)  (  0.207,   1.025,  -1.792)  ( 0.01,  0.09,  0.06)
178:     torsion (  1.012,   1.023,  -1.293)  (  1.012,   1.023,  -1.293)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -3.996,  -2.526,  -2.331)  ( -3.996,  -2.526,  -2.331)  ( 0.00,  0.00,  0.00)
178:     electro (  2.822,   1.238,   0.577)  (  2.822,   1.238,   0.577)  ( 0.00,  0.00,  0.00)
178:  6       (  0.047,   0.015,  -0.035)  (  0.053,   0.020,  -0.030)  ( 0.03,  0.01,  0.02)
178:     bond    (  3.643,  -8.573,  -2.156)  (  3.647,  -8.569,  -2.152)  ( 0.12,  0.05,  0.18)
178:     angle   ( -3.553,  12.963,  -7.820)  ( -3.551,  12.965,  -7.818)  ( 0.05,  0.02,  0.03)
178:     strbnd  (  3.941,  -0.711,   4.570)  (  3.941,  -0.712,   4.569)  ( 0.01,  0.05,  0.02)
178:     torsion ( -0.466,  -2.160,   2.319)  ( -0.466,  -2.160,   2.319)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -3.518,  -1.505,   3.052)  ( -3.518,  -1.505,   3.052)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  7       (  0.020,   0.062,  -0.058)  ( -0.071,   0.288,  -0.172)  ( 0.18,  1.40,  0.66)
178:     bond    ( 11.219,  18.634,   3.192)  ( 11.222,  18.638,   3.196)  ( 0.03,  0.02,  0.12)
178:     angle   ( -2.190, -11.744,   1.811)  ( -2.188, -11.742,   1.813)  ( 0.09,  0.02,  0.12)
178:     strbnd  ( -6.827,  -7.330,  -8.396)  ( -6.828,  -7.331,  -8.397)  ( 0.01,  0.01,  0.01)
178:     torsion ( -2.070,   0.870,   0.194)  ( -2.070,   0.870,   0.194)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.043,  -2.385,   1.346)  (  0.948,  -2.164,   1.226)  ( 9.15,  9.24,  8.89)
178:     vdw     ( -0.143,   1.896,   2.023)  ( -0.143,   1.896,   2.023)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.011,   0.120,  -0.229)  ( -1.011,   0.120,  -0.229)  ( 0.00,  0.00,  0.00)
178:  8       ( -0.037,  -0.036,   0.030)  ( -0.030,  -0.029,   0.037)  ( 0.03,  0.02,  0.02)
178:     bond    ( 31.436,  -5.462,  -8.582)  ( 31.441,  -5.456,  -8.577)  ( 0.02,  0.09,  0.06)
178:     angle   ( 24.318,   2.673, -13.460)  ( 24.320,   2.675, -13.458)  ( 0.01,  0.08,  0.02)
178:     strbnd  ( -3.349,   3.958,   4.185)  ( -3.349,   3.958,   4.185)  ( 0.01,  0.01,  0.01)
178:     torsion (  0.865,   0.668,  -0.128)  (  0.865,   0.668,  -0.128)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (-15.296,  -0.490,   6.181)  (-15.295,  -0.490,   6.182)  ( 0.00,  0.00,  0.00)
178:     electro (-38.012,  -1.383,  11.833)  (-38.012,  -1.383,  11.833)  ( 0.00,  0.01,  0.00)
178:  9       ( -0.084,   0.011,   0.103)  (  0.977,  -2.037,   1.266)  ( 8.96,  2.15, 12.00)
178:     bond    (-24.944,   7.709,  33.079)  (-24.940,   7.712,  33.088)  ( 0.01,  0.04,  0.03)
178:     angle   (-17.079,   0.187,  13.198)  (-17.077,   0.188,  13.199)  ( 0.01,  0.02,  0.01)
178:     strbnd  ( 11.466,  -5.334, -19.281)  ( 11.465,  -5.335, -19.282)  ( 0.01,  0.01,  0.01)
178:     torsion (  0.142,  -0.694,  -0.397)  (  0.142,  -0.694,  -0.396)  ( 0.00,  0.00,  0.00)
178:     oop     ( -4.647,   9.685,  -5.474)  ( -3.590,   7.635,  -4.320)  (22.74, 21.18, 21.08)
178:     vdw     (  6.485,  -1.479,  -2.117)  (  6.485,  -1.479,  -2.117)  ( 0.00,  0.00,  0.00)
178:     electro ( 28.493, -10.064, -18.905)  ( 28.493, -10.064, -18.904)  ( 0.00,  0.00,  0.00)
178: 10       (  0.052,  -0.027,  -0.107)  ( -0.475,   0.999,  -0.671)  ( 2.75,  2.73,  6.04)
178:     bond    (  7.223,  -4.901, -15.530)  (  7.224,  -4.900, -15.524)  ( 0.02,  0.01,  0.04)
178:     angle   ( -0.823,   0.087,  -0.410)  ( -0.822,   0.087,  -0.410)  ( 0.06,  0.00,  0.00)
178:     strbnd  ( -5.921,   2.262,   9.306)  ( -5.920,   2.262,   9.306)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.293,   0.686,  -0.353)  ( -0.293,   0.686,  -0.353)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.878,  -3.841,   2.086)  (  1.349,  -2.816,   1.517)  (28.20, 26.69, 27.32)
178:     vdw     ( 10.301,   3.828,   1.517)  ( 10.301,   3.828,   1.517)  ( 0.00,  0.00,  0.00)
178:     electro (-12.313,   1.852,   3.276)  (-12.313,   1.852,   3.276)  ( 0.00,  0.00,  0.00)
178: 11       (  0.001,  -0.001,  -0.007)  ( -0.428,   0.808,  -0.467)  ( 0.06,  0.12,  0.34)
178:     bond    ( -5.364, -10.247, -12.843)  ( -5.364, -10.244, -12.839)  ( 0.01,  0.02,  0.03)
178:     angle   ( 17.615,   2.690,  -9.506)  ( 17.616,   2.690,  -9.506)  ( 0.00,  0.00,  0.00)
178:     strbnd  ( -0.975,   4.889,   8.707)  ( -0.975,   4.889,   8.707)  ( 0.01,  0.00,  0.00)
178:     torsion (  0.208,  -0.464,   0.284)  (  0.208,  -0.464,   0.284)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.725,  -3.462,   2.041)  (  1.294,  -2.654,   1.578)  (24.99, 23.32, 22.72)
178:     vdw     ( 20.549,   2.004,  -4.094)  ( 20.550,   2.004,  -4.094)  ( 0.00,  0.00,  0.00)
178:     electro (-33.756,   4.588,  15.404)  (-33.756,   4.588,  15.404)  ( 0.00,  0.00,  0.00)
178: 12       ( -0.014,  -0.020,  -0.003)  ( -0.011,  -0.018,  -0.003)  ( 0.00,  0.00,  0.00)
178:     bond    ( -2.108,  -1.364,   0.667)  ( -2.104,  -1.362,   0.667)  ( 0.15,  0.09,  0.02)
178:     angle   (  1.431,  -3.486,  -2.605)  (  1.431,  -3.486,  -2.605)  ( 0.00,  0.01,  0.01)
178:     strbnd  ( -0.286,  -0.078,   0.143)  ( -0.286,  -0.077,   0.143)  ( 0.00,  0.00,  0.00)
178:     torsion (  1.600,  -1.233,   2.529)  (  1.600,  -1.233,   2.529)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.031,  -0.022,  -0.112)  ( -0.031,  -0.022,  -0.112)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.620,   6.163,  -0.625)  ( -0.620,   6.163,  -0.625)  ( 0.00,  0.00,  0.00)
178: 13       ( -0.027,   0.011,  -0.004)  ( -0.024,   0.012,  -0.004)  ( 0.01,  0.00,  0.00)
178:     bond    (  0.777,  -0.529,   0.119)  (  0.779,  -0.528,   0.119)  ( 0.18,  0.06,  0.00)
178:     angle   ( -0.885,  -1.096,   0.925)  ( -0.884,  -1.096,   0.926)  ( 0.01,  0.03,  0.04)
178:     strbnd  ( -1.504,   0.684,  -0.090)  ( -1.504,   0.684,  -0.090)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.038,  -0.109,  -0.234)  ( -0.038,  -0.109,  -0.234)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.623,   1.061,  -0.724)  (  1.623,   1.061,  -0.724)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 14       ( -0.007,  -0.027,  -0.010)  ( -0.006,  -0.024,  -0.009)  ( 0.00,  0.01,  0.00)
178:     bond    (  0.115,   1.126,   0.629)  (  0.115,   1.129,   0.630)  ( 0.00,  0.23,  0.05)
178:     angle   ( -0.934,  -0.881,   1.748)  ( -0.934,  -0.881,   1.748)  ( 0.05,  0.01,  0.02)
178:     strbnd  ( -0.363,  -1.245,  -0.504)  ( -0.363,  -1.245,  -0.504)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.233,   0.175,  -0.272)  ( -0.233,   0.175,  -0.272)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.409,   0.798,  -1.611)  (  1.409,   0.798,  -1.611)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 15       ( -0.001,  -0.003,  -0.008)  ( -0.000,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.078,   0.087,  -0.487)  ( -0.077,   0.087,  -0.484)  ( 0.00,  0.00,  0.16)
178:     angle   ( -0.356,  -1.049,  -0.131)  ( -0.355,  -1.048,  -0.131)  ( 0.02,  0.04,  0.00)
178:     strbnd  ( -0.107,  -0.325,   1.008)  ( -0.107,  -0.325,   1.008)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.227,   0.446,   0.116)  ( -0.227,   0.446,   0.116)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.767,   0.838,  -0.514)  (  0.767,   0.839,  -0.514)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 16       ( -0.007,   0.000,   0.002)  ( -0.004,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.169,  -0.061,   0.004)  (  0.172,  -0.060,   0.004)  ( 0.05,  0.00,  0.00)
178:     angle   (  1.751,   5.151,   2.051)  (  1.751,   5.151,   2.052)  ( 0.00,  0.01,  0.03)
178:     strbnd  ( -0.007,   0.573,  -0.048)  ( -0.007,   0.573,  -0.048)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.110,  -0.369,  -0.744)  ( -0.110,  -0.369,  -0.744)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -1.811,  -5.293,  -1.262)  ( -1.811,  -5.293,  -1.262)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 17       ( -0.003,  -0.013,   0.004)  ( -0.001,  -0.011,   0.005)  ( 0.00,  0.00,  0.00)
178:     bond    (  1.206,   1.529,  -0.696)  (  1.207,   1.530,  -0.695)  ( 0.10,  0.12,  0.03)
178:     angle   ( -0.729,  -0.235,  -1.783)  ( -0.729,  -0.235,  -1.782)  ( 0.02,  0.01,  0.03)
178:     strbnd  ( -0.850,  -0.116,   0.251)  ( -0.850,  -0.116,   0.251)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.296,   0.197,   0.948)  (  0.296,   0.197,   0.948)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.074,  -1.387,   1.283)  (  0.074,  -1.387,   1.284)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 18       ( -0.002,  -0.011,   0.015)  ( -0.001,  -0.009,   0.017)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.434,  -2.155,   1.394)  ( -0.434,  -2.153,   1.395)  ( 0.00,  0.11,  0.07)
178:     angle   (  1.665,  -1.741,  -2.169)  (  1.666,  -1.741,  -2.169)  ( 0.03,  0.01,  0.02)
178:     strbnd  (  0.479,   0.577,  -0.839)  (  0.479,   0.577,  -0.839)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.578,  -0.321,  -0.316)  (  0.578,  -0.321,  -0.316)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.290,   3.630,   1.944)  ( -2.290,   3.630,   1.945)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 19       ( -0.048,  -0.003,   0.010)  ( -0.045,  -0.002,   0.010)  ( 0.02,  0.00,  0.00)
178:     bond    (  3.011,  -0.074,  -0.795)  (  3.014,  -0.074,  -0.795)  ( 0.10,  0.00,  0.02)
178:     angle   (  0.861,   0.161,   3.246)  (  0.861,   0.162,   3.247)  ( 0.00,  0.01,  0.02)
178:     strbnd  ( -1.180,  -0.479,   0.265)  ( -1.180,  -0.479,   0.265)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.346,   0.357,  -1.346)  ( -0.346,   0.357,  -1.346)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.394,   0.033,  -1.359)  ( -2.394,   0.033,  -1.359)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       ( -0.003,  -0.042,   0.032)  ( -0.002,  -0.039,   0.034)  ( 0.00,  0.01,  0.00)
178:     bond    ( -0.042,   1.240,  -0.654)  ( -0.042,   1.243,  -0.653)  ( 0.00,  0.21,  0.05)
178:     angle   ( -0.781,  -1.615,  -3.020)  ( -0.780,  -1.614,  -3.020)  ( 0.04,  0.01,  0.02)
178:     strbnd  ( -0.130,   0.941,   1.010)  ( -0.130,   0.941,   1.010)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.609,   0.345,   0.616)  (  0.609,   0.345,   0.616)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.342,  -0.953,   2.080)  (  0.342,  -0.953,   2.080)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 21       (  0.012,   0.012,  -0.003)  (  0.014,   0.013,  -0.002)  ( 0.00,  0.00,  0.00)
178:     bond    (-16.919,  -7.195,  -8.595)  (-16.917,  -7.195,  -8.594)  ( 0.02,  0.01,  0.01)
178:     angle   ( -8.625,   3.959,  13.661)  ( -8.625,   3.959,  13.662)  ( 0.00,  0.01,  0.00)
178:     strbnd  (  0.614,  -0.231,  -0.297)  (  0.614,  -0.231,  -0.297)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.035,  -0.717,   0.668)  ( -0.035,  -0.717,   0.668)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -6.207,   2.647,   6.206)  ( -6.207,   2.647,   6.206)  ( 0.00,  0.00,  0.00)
178:     electro ( 31.183,   1.549, -11.648)  ( 31.183,   1.549, -11.648)  ( 0.00,  0.01,  0.00)
178: 22       (  0.006,   0.001,  -0.013)  (  0.008,   0.003,  -0.011)  ( 0.00,  0.00,  0.00)
178:     bond    ( -4.934,  -3.520,   6.017)  ( -4.932,  -3.519,   6.019)  ( 0.03,  0.02,  0.04)
178:     angle   ( -3.213,   0.593,  -2.286)  ( -3.213,   0.593,  -2.286)  ( 0.01,  0.03,  0.01)
178:     strbnd  (  1.267,  -0.292,  -1.268)  (  1.267,  -0.292,  -1.268)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.847,   0.124,  -0.622)  ( -0.847,   0.124,  -0.622)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.353,   0.460,   0.417)  ( -0.353,   0.460,   0.417)  ( 0.00,  0.00,  0.00)
178:     electro (  8.086,   2.636,  -2.271)  (  8.086,   2.636,  -2.271)  ( 0.00,  0.00,  0.00)
178: 23       (  0.007,   0.003,  -0.009)  (  0.008,   0.006,  -0.008)  ( 0.00,  0.00,  0.00)
178:     bond    ( -1.822,   3.586,  -1.944)  ( -1.821,   3.589,  -1.943)  ( 0.04,  0.08,  0.04)
178:     angle   (-10.320,  -4.719,   0.955)  (-10.319,  -4.719,   0.956)  ( 0.01,  0.00,  0.04)
178:     strbnd  (  0.722,  -0.493,  -0.668)  (  0.722,  -0.493,  -0.668)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.917,   0.500,   0.064)  (  0.917,   0.500,   0.064)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.240,   1.405,   1.413)  ( -0.240,   1.405,   1.413)  ( 0.00,  0.00,  0.00)
178:     electro ( 10.749,  -0.275,   0.171)  ( 10.749,  -0.275,   0.171)  ( 0.00,  0.00,  0.00)
178: ok 4 # gradients 
178: ok 5 # energy 
178: ----------------------------------------------------------------------------------------
178:                                                                                         
178:   VALIDATE GRADIENTS : fiybiy.xyz
178:                                                                                         
178:                                                                                         
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       ( -0.037,   0.000,  -0.051)  ( -0.039,   0.006,  -0.047)  ( 0.01,  0.00,  0.02)
178:     bond    (  7.810,  -1.840,   7.980)  (  7.815,  -1.832,   7.984)  ( 0.05,  0.48,  0.05)
178:     angle   ( -4.687,  -2.600,  -7.659)  ( -4.685,  -2.598,  -7.656)  ( 0.05,  0.09,  0.03)
178:     strbnd  (  1.520,  -7.648,  19.637)  (  1.519,  -7.649,  19.636)  ( 0.05,  0.01,  0.00)
178:     torsion (  0.281,  -0.182,  -0.226)  (  0.281,  -0.182,  -0.226)  ( 0.00,  0.00,  0.00)
178:     oop     (  0.047,   0.028,   0.008)  (  0.040,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
178:     vdw     ( -0.861,  -7.381,   0.991)  ( -0.861,  -7.381,   0.991)  ( 0.00,  0.00,  0.01)
178:     electro ( -4.147,  19.624, -20.782)  ( -4.147,  19.624, -20.782)  ( 0.00,  0.00,  0.00)
178:  2       (  0.015,  -0.021,  -0.013)  (  0.016,  -0.015,  -0.011)  ( 0.00,  0.01,  0.00)
178:     bond    (  0.188,  -1.235,  -0.576)  (  0.188,  -1.229,  -0.574)  ( 0.00,  0.51,  0.08)
178:     angle   (  2.833,  -2.246,   5.734)  (  2.833,  -2.246,   5.734)  ( 0.02,  0.01,  0.01)
178:     strbnd  (  0.058,  -0.206,   0.531)  (  0.058,  -0.206,   0.531)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.582,  -0.145,   0.120)  ( -0.582,  -0.145,   0.120)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.490,  -0.763,  -6.600)  ( -2.490,  -0.763,  -6.600)  ( 0.00,  0.00,  0.00)
178:     electro (  0.009,   4.575,   0.778)  (  0.009,   4.575,   0.778)  ( 0.00,  0.00,  0.00)
178:  3       ( -0.083,   0.019,  -0.119)  ( -0.123,   0.094,  -0.069)  ( 0.34,  0.14,  0.60)
178:     bond    ( -1.055,   0.134,  -1.295)  ( -1.051,   0.134,  -1.289)  ( 0.35,  0.00,  0.43)
178:     angle   ( -0.395,  -0.549,   0.265)  ( -0.395,  -0.548,   0.265)  ( 0.02,  0.03,  0.01)
178:     strbnd  ( -4.612,   1.446,  -7.083)  ( -4.612,   1.446,  -7.083)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.187,   0.312,   0.185)  ( -0.187,   0.312,   0.185)  ( 0.00,  0.00,  0.00)
178:     oop     (  0.225,  -0.371,  -0.222)  (  0.180,  -0.296,  -0.178)  ( 1.01,  2.75,  0.99)
178:     vdw     ( -0.123,   0.138,  -0.190)  ( -0.123,   0.138,  -0.190)  ( 0.00,  0.00,  0.00)
178:     electro (  6.064,  -1.092,   8.221)  (  6.064,  -1.092,   8.221)  ( 0.00,  0.00,  0.00)
178:  4       ( -0.072,  -0.017,  -0.030)  ( -0.094,   0.028,  -0.000)  ( 0.16,  0.08,  0.09)
178:     bond    ( -0.836,  -8.517,  13.382)  ( -0.832,  -8.516,  13.384)  ( 0.33,  0.01,  0.02)
178:     angle   (  7.130,   8.296, -11.537)  (  7.131,   8.297, -11.535)  ( 0.00,  0.01,  0.01)
178:     strbnd  ( -2.982,  -0.215,  -2.921)  ( -2.982,  -0.215,  -2.921)  ( 0.00,  0.00,  0.01)
178:     torsion (  0.423,   0.846,  -0.211)  (  0.423,   0.846,  -0.211)  ( 0.00,  0.01,  0.00)
178:     oop     (  0.186,  -0.302,  -0.180)  (  0.159,  -0.259,  -0.154)  ( 0.49,  1.29,  0.46)
178:     vdw     ( -2.535,   5.528,  -3.997)  ( -2.535,   5.528,  -3.997)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.458,  -5.655,   5.433)  ( -1.458,  -5.655,   5.433)  ( 0.00,  0.00,  0.00)
178:  5       (  0.010,   0.036,  -0.046)  ( -0.018,   0.093,  -0.011)  ( 0.03,  0.20,  0.16)
178:     bond    ( -5.684,   0.935,   3.018)  ( -5.681,   0.938,   3.021)  ( 0.04,  0.31,  0.10)
178:     angle   ( 19.037,   0.921,   3.045)  ( 19.039,   0.921,   3.046)  ( 0.01,  0.05,  0.03)
178:     strbnd  ( -4.528,   0.738,   3.763)  ( -4.528,   0.738,   3.763)  ( 0.01,  0.01,  0.00)
178:     torsion (  0.060,   0.659,   0.624)  (  0.060,   0.659,   0.624)  ( 0.00,  0.00,  0.00)
178:     oop     (  0.189,  -0.311,  -0.184)  (  0.157,  -0.258,  -0.153)  ( 0.60,  1.64,  0.57)
178:     vdw     (-16.349, -10.170, -11.577)  (-16.349, -10.170, -11.576)  ( 0.00,  0.00,  0.00)
178:     electro (  7.284,   7.264,   1.264)  (  7.284,   7.264,   1.264)  ( 0.00,  0.00,  0.00)
178:  6       ( -0.067,   0.088,   0.083)  ( -0.052,   0.101,   0.090)  ( 0.10,  0.11,  0.06)
178:     bond    ( -0.701,  -2.222,  11.603)  ( -0.699,  -2.218,  11.607)  ( 0.11,  0.18,  0.03)
178:     angle   ( -0.364,  -2.925,  13.817)  ( -0.363,  -2.923,  13.819)  ( 0.02,  0.05,  0.01)
178:     strbnd  (  0.639,   2.955, -12.934)  (  0.639,   2.955, -12.935)  ( 0.00,  0.00,  0.00)
178:     torsion (  2.329,   1.562,   0.380)  (  2.330,   1.562,   0.380)  ( 0.03,  0.02,  0.00)
178:     oop     ( -0.074,  -0.043,  -0.014)  ( -0.062,  -0.036,  -0.012)  ( 0.09,  0.03,  0.00)
178:     vdw     ( -1.895,   0.720, -12.746)  ( -1.895,   0.720, -12.746)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.002,   0.041,  -0.023)  ( -0.002,   0.041,  -0.023)  ( 0.00,  0.00,  0.00)
178:  7       (  0.013,  -0.054,   0.044)  (  0.021,  -0.046,   0.052)  ( 0.01,  0.04,  0.03)
178:     bond    ( -7.170,  10.526,   6.570)  ( -7.169,  10.530,   6.576)  ( 0.02,  0.04,  0.08)
178:     angle   (  2.588,  -3.055,  -4.852)  (  2.588,  -3.053,  -4.850)  ( 0.02,  0.04,  0.03)
178:     strbnd  ( -1.496,   3.392,  -2.547)  ( -1.496,   3.392,  -2.547)  ( 0.00,  0.00,  0.01)
178:     torsion ( -1.418,  -0.816,  -0.200)  ( -1.417,  -0.816,  -0.200)  ( 0.07,  0.03,  0.00)
178:     oop     ( -0.027,  -0.014,  -0.002)  ( -0.022,  -0.012,  -0.002)  ( 0.01,  0.00,  0.00)
178:     vdw     (  6.692,  -9.975,  -2.511)  (  6.692,  -9.975,  -2.511)  ( 0.00,  0.00,  0.01)
178:     electro (  0.844,  -0.112,   3.586)  (  0.844,  -0.112,   3.586)  ( 0.00,  0.00,  0.00)
178:  8       ( -0.029,   0.068,  -0.054)  ( -0.019,   0.078,  -0.046)  ( 0.03,  0.07,  0.04)
178:     bond    ( -5.733,  10.916,  -5.111)  ( -5.731,  10.920,  -5.106)  ( 0.03,  0.04,  0.10)
178:     angle   ( -0.069,   0.148,  -0.147)  ( -0.069,   0.149,  -0.145)  ( 0.00,  0.02,  0.02)
178:     strbnd  (  0.254,  -0.317,  -0.321)  (  0.254,  -0.317,  -0.321)  ( 0.00,  0.00,  0.01)
178:     torsion ( -0.506,  -0.295,  -0.082)  ( -0.505,  -0.294,  -0.082)  ( 0.05,  0.01,  0.00)
178:     oop     ( -0.039,  -0.023,  -0.006)  ( -0.033,  -0.019,  -0.005)  ( 0.03,  0.01,  0.00)
178:     vdw     (  5.846, -11.080,   5.290)  (  5.846, -11.080,   5.290)  ( 0.00,  0.00,  0.00)
178:     electro (  0.218,   0.720,   0.323)  (  0.218,   0.720,   0.323)  ( 0.00,  0.00,  0.00)
178:  9       ( -0.014,   0.016,  -0.063)  (  0.004,   0.030,  -0.053)  ( 0.02,  0.02,  0.06)
178:     bond    (  0.583,   2.170, -13.287)  (  0.585,   2.174, -13.282)  ( 0.09,  0.18,  0.04)
178:     angle   (  0.007,  -0.113,   0.340)  (  0.007,  -0.112,   0.341)  ( 0.00,  0.01,  0.06)
178:     strbnd  (  0.032,  -0.099,   0.170)  (  0.032,  -0.099,   0.170)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.193,  -0.115,  -0.023)  ( -0.192,  -0.114,  -0.023)  ( 0.02,  0.00,  0.00)
178:     oop     ( -0.086,  -0.051,  -0.013)  ( -0.072,  -0.043,  -0.011)  ( 0.13,  0.04,  0.00)
178:     vdw     ( -0.816,  -2.222,  14.046)  ( -0.816,  -2.222,  14.046)  ( 0.00,  0.00,  0.00)
178:     electro (  0.459,   0.446,  -1.294)  (  0.459,   0.446,  -1.294)  ( 0.00,  0.00,  0.00)
178: 10       (  0.012,  -0.026,   0.043)  (  0.023,  -0.017,   0.051)  ( 0.01,  0.03,  0.03)
178:     bond    (  6.512,  -8.973,  -7.628)  (  6.514,  -8.969,  -7.623)  ( 0.03,  0.05,  0.07)
178:     angle   (  0.058,  -0.079,  -0.055)  (  0.058,  -0.078,  -0.054)  ( 0.00,  0.01,  0.01)
178:     strbnd  ( -0.185,   0.392,  -0.179)  ( -0.185,   0.392,  -0.179)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.572,  -0.345,  -0.095)  ( -0.571,  -0.345,  -0.095)  ( 0.05,  0.01,  0.00)
178:     oop     ( -0.040,  -0.024,  -0.007)  ( -0.032,  -0.020,  -0.005)  ( 0.03,  0.01,  0.00)
178:     vdw     ( -6.571,   9.136,   7.766)  ( -6.571,   9.136,   7.766)  ( 0.00,  0.00,  0.00)
178:     electro (  0.809,  -0.133,   0.241)  (  0.809,  -0.133,   0.241)  ( 0.00,  0.00,  0.00)
178: 11       (  0.067,  -0.113,  -0.076)  (  0.083,  -0.099,  -0.068)  ( 0.11,  0.16,  0.06)
178:     bond    (  6.849, -12.437,   4.398)  (  6.851, -12.433,   4.404)  ( 0.02,  0.03,  0.12)
178:     angle   ( -2.678,   5.816,  -4.951)  ( -2.677,   5.818,  -4.949)  ( 0.02,  0.02,  0.03)
178:     strbnd  (  2.697,  -3.157,  -4.284)  (  2.697,  -3.158,  -4.284)  ( 0.00,  0.00,  0.00)
178:     torsion ( -1.703,  -1.064,  -0.247)  ( -1.702,  -1.063,  -0.247)  ( 0.06,  0.03,  0.00)
178:     oop     ( -0.078,  -0.050,  -0.010)  ( -0.065,  -0.042,  -0.009)  ( 0.10,  0.04,  0.00)
178:     vdw     ( -5.728,  10.270,   1.476)  ( -5.728,  10.270,   1.476)  ( 0.00,  0.00,  0.01)
178:     electro (  0.708,   0.510,   3.541)  (  0.708,   0.510,   3.542)  ( 0.00,  0.00,  0.00)
178: 12       (  0.104,  -0.040,   0.163)  (  0.215,  -0.206,   0.071)  ( 1.16,  0.66,  1.49)
178:     bond    ( 13.123,   9.974,  -3.258)  ( 13.130,   9.977,  -3.250)  ( 0.05,  0.02,  0.25)
178:     angle   (-14.649,   0.422,   3.858)  (-14.647,   0.423,   3.860)  ( 0.02,  0.06,  0.05)
178:     strbnd  (  6.144,   3.136,   1.986)  (  6.144,   3.135,   1.985)  ( 0.01,  0.02,  0.05)
178:     torsion (  0.114,  -1.966,  -1.386)  (  0.114,  -1.966,  -1.386)  ( 0.00,  0.01,  0.00)
178:     oop     ( -0.600,   0.982,   0.585)  ( -0.496,   0.813,   0.485)  ( 6.21, 16.58,  5.91)
178:     vdw     ( -6.672,   1.688,  -4.514)  ( -6.672,   1.688,  -4.514)  ( 0.00,  0.00,  0.00)
178:     electro (  2.643, -14.275,   2.893)  (  2.643, -14.275,   2.893)  ( 0.00,  0.00,  0.00)
178: 13       (  0.040,  -0.004,   0.029)  (  0.046,   0.002,   0.035)  ( 0.02,  0.00,  0.02)
178:     bond    ( -2.991,   1.047, -11.722)  ( -2.987,   1.051, -11.718)  ( 0.13,  0.39,  0.04)
178:     angle   ( -2.018,   2.285,   8.597)  ( -2.016,   2.287,   8.599)  ( 0.11,  0.09,  0.02)
178:     strbnd  (  2.619,  -2.990,   4.758)  (  2.618,  -2.991,   4.758)  ( 0.04,  0.03,  0.02)
178:     torsion ( -0.041,  -0.092,   0.175)  ( -0.041,  -0.092,   0.175)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 14.014,   8.530,   0.129)  ( 14.014,   8.530,   0.129)  ( 0.00,  0.00,  0.00)
178:     electro (-11.542,  -8.783,  -1.908)  (-11.542,  -8.783,  -1.908)  ( 0.00,  0.00,  0.00)
178: 14       (  0.024,  -0.010,   0.034)  (  0.029,  -0.005,   0.040)  ( 0.01,  0.00,  0.02)
178:     bond    ( -4.655,   3.822,  -2.177)  ( -4.651,   3.826,  -2.172)  ( 0.08,  0.10,  0.21)
178:     angle   ( -4.059,  -1.702,  -4.245)  ( -4.057,  -1.700,  -4.243)  ( 0.05,  0.12,  0.05)
178:     strbnd  (  2.089,   1.563,   0.776)  (  2.088,   1.562,   0.776)  ( 0.05,  0.07,  0.03)
178:     torsion (  0.938,   1.048,   1.864)  (  0.938,   1.048,   1.864)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.794,  -3.935,   2.717)  (  3.794,  -3.935,   2.717)  ( 0.00,  0.00,  0.00)
178:     electro (  1.918,  -0.806,   1.098)  (  1.918,  -0.806,   1.098)  ( 0.00,  0.00,  0.00)
178: 15       ( -0.042,  -0.017,   0.014)  ( -0.037,  -0.011,   0.020)  ( 0.02,  0.01,  0.01)
178:     bond    ( -6.167,  -3.752,   0.389)  ( -6.163,  -3.748,   0.393)  ( 0.07,  0.11,  0.18)
178:     angle   (  3.378,   1.344,  -4.652)  (  3.380,   1.345,  -4.650)  ( 0.06,  0.14,  0.04)
178:     strbnd  (  0.915,   0.369,  -0.380)  (  0.914,   0.369,  -0.380)  ( 0.08,  0.02,  0.02)
178:     torsion (  1.467,  -0.659,   4.905)  (  1.467,  -0.659,   4.905)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.366,   2.682,  -0.248)  (  0.366,   2.682,  -0.248)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 16       (  0.001,  -0.001,  -0.009)  ( -0.007,  -0.004,  -0.008)  ( 0.00,  0.00,  0.00)
178:     bond    ( -1.392,   1.999,   1.715)  ( -1.392,   2.000,   1.716)  ( 0.06,  0.08,  0.07)
178:     angle   ( -0.390,   1.079,  -1.575)  ( -0.390,   1.079,  -1.575)  ( 0.00,  0.02,  0.03)
178:     strbnd  (  0.199,  -0.272,  -0.384)  (  0.199,  -0.272,  -0.384)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.947,   0.545,   0.133)  (  0.948,   0.545,   0.133)  ( 0.02,  0.00,  0.00)
178:     oop     (  0.050,   0.029,   0.007)  (  0.041,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
178:     vdw     (  1.566,  -2.362,   2.661)  (  1.566,  -2.362,   2.662)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.979,  -1.018,  -2.566)  ( -0.979,  -1.018,  -2.566)  ( 0.00,  0.00,  0.00)
178: 17       (  0.013,  -0.037,   0.011)  (  0.006,  -0.039,   0.010)  ( 0.01,  0.01,  0.00)
178:     bond    ( -1.079,   2.138,  -1.059)  ( -1.078,   2.140,  -1.059)  ( 0.06,  0.12,  0.06)
178:     angle   (  0.033,  -0.019,  -0.072)  (  0.033,  -0.019,  -0.072)  ( 0.00,  0.00,  0.00)
178:     strbnd  (  0.329,  -0.679,   0.351)  (  0.329,  -0.679,   0.351)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.254,   0.148,   0.041)  (  0.254,   0.148,   0.041)  ( 0.01,  0.00,  0.00)
178:     oop     (  0.051,   0.029,   0.008)  (  0.042,   0.025,   0.007)  ( 0.04,  0.01,  0.00)
178:     vdw     (  0.321,  -0.617,   0.307)  (  0.321,  -0.617,   0.307)  ( 0.00,  0.00,  0.00)
178:     electro (  0.104,  -1.037,   0.435)  (  0.104,  -1.037,   0.435)  ( 0.00,  0.00,  0.00)
178: 18       ( -0.002,  -0.001,   0.010)  ( -0.012,  -0.006,   0.011)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.172,   0.436,  -2.694)  (  0.172,   0.436,  -2.691)  ( 0.00,  0.00,  0.13)
178:     angle   (  0.012,   0.006,   0.002)  (  0.012,   0.006,   0.002)  ( 0.00,  0.00,  0.00)
178:     strbnd  ( -0.076,  -0.152,   0.941)  ( -0.076,  -0.152,   0.941)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.138,   0.082,   0.022)  (  0.138,   0.082,   0.022)  ( 0.00,  0.00,  0.00)
178:     oop     (  0.066,   0.040,   0.011)  (  0.055,   0.033,   0.009)  ( 0.07,  0.03,  0.00)
178:     vdw     ( -0.039,  -0.117,   0.755)  ( -0.039,  -0.117,   0.755)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.275,  -0.295,   0.974)  ( -0.275,  -0.295,   0.974)  ( 0.00,  0.00,  0.00)
178: 19       ( -0.010,   0.002,   0.007)  ( -0.018,  -0.002,   0.007)  ( 0.01,  0.00,  0.00)
178:     bond    (  1.319,  -1.740,  -1.572)  (  1.320,  -1.739,  -1.570)  ( 0.07,  0.09,  0.08)
178:     angle   ( -0.010,   0.055,  -0.071)  ( -0.010,   0.056,  -0.070)  ( 0.00,  0.00,  0.00)
178:     strbnd  ( -0.440,   0.556,   0.528)  ( -0.440,   0.556,   0.528)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.286,   0.174,   0.048)  (  0.286,   0.174,   0.048)  ( 0.01,  0.00,  0.00)
178:     oop     (  0.057,   0.035,   0.009)  (  0.048,   0.029,   0.008)  ( 0.05,  0.02,  0.00)
178:     vdw     ( -0.364,   0.499,   0.452)  ( -0.364,   0.499,   0.452)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.858,   0.422,   0.612)  ( -0.858,   0.422,   0.612)  ( 0.00,  0.00,  0.00)
178: 20       ( -0.011,   0.019,  -0.003)  ( -0.022,   0.014,  -0.004)  ( 0.01,  0.01,  0.00)
178:     bond    (  1.065,  -1.923,   0.931)  (  1.066,  -1.921,   0.932)  ( 0.07,  0.13,  0.05)
178:     angle   (  0.816,  -0.719,  -2.417)  (  0.816,  -0.719,  -2.416)  ( 0.01,  0.00,  0.02)
178:     strbnd  ( -0.179,   0.321,  -0.263)  ( -0.179,   0.321,  -0.263)  ( 0.00,  0.00,  0.00)
178:     torsion (  1.157,   0.723,   0.167)  (  1.157,   0.723,   0.167)  ( 0.02,  0.01,  0.00)
178:     oop     (  0.072,   0.045,   0.011)  (  0.060,   0.037,   0.009)  ( 0.09,  0.03,  0.00)
178:     vdw     ( -1.141,   1.967,   4.393)  ( -1.141,   1.967,   4.393)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.800,  -0.394,  -2.826)  ( -1.800,  -0.394,  -2.826)  ( 0.00,  0.00,  0.00)
178: 21       ( -0.002,  -0.005,  -0.023)  ( -0.001,  -0.004,  -0.021)  ( 0.00,  0.00,  0.01)
178:     bond    (  1.444,  -1.170,  -2.502)  (  1.445,  -1.169,  -2.500)  ( 0.05,  0.04,  0.09)
178:     angle   ( -2.245,  -3.938,   0.544)  ( -2.244,  -3.937,   0.544)  ( 0.02,  0.01,  0.01)
178:     strbnd  ( -0.862,   0.401,  -0.476)  ( -0.862,   0.401,  -0.476)  ( 0.00,  0.00,  0.00)
178:     torsion ( -1.116,  -0.117,  -0.590)  ( -1.116,  -0.117,  -0.590)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.776,   4.819,   3.001)  (  2.776,   4.819,   3.001)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 22       ( -0.015,   0.012,  -0.030)  ( -0.014,   0.013,  -0.028)  ( 0.00,  0.00,  0.01)
178:     bond    (  0.154,  -0.044,   0.213)  (  0.155,  -0.044,   0.215)  ( 0.02,  0.00,  0.05)
178:     angle   ( -3.150,   0.346,   2.340)  ( -3.150,   0.346,   2.340)  ( 0.01,  0.02,  0.01)
178:     strbnd  ( -1.019,   0.402,  -1.027)  ( -1.019,   0.402,  -1.027)  ( 0.00,  0.00,  0.00)
178:     torsion (  1.025,  -0.593,  -0.859)  (  1.025,  -0.593,  -0.859)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.975,  -0.099,  -0.696)  (  2.975,  -0.099,  -0.696)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 23       ( -0.002,  -0.007,  -0.010)  ( -0.000,  -0.006,  -0.007)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.844,   0.674,   1.498)  ( -0.843,   0.674,   1.500)  ( 0.06,  0.03,  0.15)
178:     angle   (  0.780,   0.980,  -0.002)  (  0.780,   0.980,  -0.002)  ( 0.03,  0.05,  0.00)
178:     strbnd  ( -0.246,   0.126,  -0.182)  ( -0.246,   0.126,  -0.182)  ( 0.00,  0.00,  0.00)
178:     torsion ( -1.955,  -0.263,  -0.980)  ( -1.955,  -0.263,  -0.980)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.263,  -1.523,  -0.342)  (  2.263,  -1.523,  -0.342)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 24       (  0.008,  -0.004,  -0.001)  (  0.009,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.400,  -1.579,   0.234)  (  0.400,  -1.576,   0.235)  ( 0.01,  0.20,  0.00)
178:     angle   ( -0.974,   0.080,   2.199)  ( -0.974,   0.080,   2.199)  ( 0.05,  0.00,  0.02)
178:     strbnd  ( -0.565,   0.621,  -0.074)  ( -0.565,   0.621,  -0.074)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.236,  -0.429,  -2.483)  ( -0.236,  -0.429,  -2.483)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.383,   1.303,   0.122)  (  1.383,   1.303,   0.122)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 25       ( -0.003,   0.003,   0.000)  ( -0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.527,   0.046,  -0.630)  ( -0.526,   0.046,  -0.628)  ( 0.07,  0.00,  0.13)
178:     angle   ( -0.726,  -0.901,   0.541)  ( -0.725,  -0.901,   0.541)  ( 0.02,  0.04,  0.01)
178:     strbnd  ( -0.277,  -0.238,   0.153)  ( -0.277,  -0.238,   0.153)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.187,  -0.339,  -0.181)  (  0.187,  -0.338,  -0.181)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.340,   1.434,   0.118)  (  1.340,   1.434,   0.118)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 26       (  0.006,  -0.002,  -0.020)  (  0.007,  -0.001,  -0.018)  ( 0.00,  0.00,  0.01)
178:     bond    ( -0.838,   0.546,   1.494)  ( -0.837,   0.547,   1.496)  ( 0.06,  0.02,  0.16)
178:     angle   ( -0.275,  -2.955,   0.926)  ( -0.274,  -2.954,   0.926)  ( 0.01,  0.02,  0.01)
178:     strbnd  ( -0.022,  -0.439,  -0.536)  ( -0.022,  -0.439,  -0.536)  ( 0.00,  0.00,  0.00)
178:     torsion ( -1.106,   1.318,  -1.100)  ( -1.106,   1.318,  -1.100)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.246,   1.528,  -0.804)  (  2.246,   1.528,  -0.804)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 6 # gradients 
178: ok 7 # energy 
178: ----------------------------------------------------------------------------------------
178:                                                                                         
178:   VALIDATE GRADIENTS : fizgok.xyz
178:                                                                                         
178:                                                                                         
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (  0.075,   0.147,  -0.085)  (  0.082,   0.159,  -0.080)  ( 0.05,  0.19,  0.04)
178:     bond    ( -7.838,  -3.903,  -3.643)  ( -7.834,  -3.894,  -3.639)  ( 0.06,  0.21,  0.11)
178:     angle   (  7.377, -14.044,  12.273)  (  7.380, -14.042,  12.275)  ( 0.04,  0.02,  0.02)
178:     strbnd  (  0.657,   1.642,  -0.343)  (  0.656,   1.641,  -0.344)  ( 0.08,  0.06,  0.04)
178:     torsion ( -0.045,   0.673,  -0.372)  ( -0.045,   0.673,  -0.371)  ( 0.00,  0.01,  0.00)
178:     oop     ( -0.007,  -0.027,   0.009)  ( -0.007,  -0.024,   0.008)  ( 0.00,  0.01,  0.00)
178:     vdw     ( -0.525,  -6.965,   3.135)  ( -0.525,  -6.965,   3.135)  ( 0.00,  0.00,  0.00)
178:     electro (  0.455,  22.771, -11.143)  (  0.455,  22.771, -11.143)  ( 0.00,  0.00,  0.00)
178:  2       (  1.636,  -0.294,   0.523)  (  1.645,  -0.288,   0.526)  ( 0.60,  0.19,  0.15)
178:     bond    (-11.204,   8.407,  18.715)  (-11.196,   8.408,  18.718)  ( 0.07,  0.01,  0.02)
178:     angle   (  0.078,   5.582,   5.314)  (  0.080,   5.582,   5.316)  ( 0.01,  0.01,  0.04)
178:     strbnd  ( 14.683, -10.263, -21.918)  ( 14.682, -10.263, -21.919)  ( 0.01,  0.00,  0.00)
178:     torsion (  0.150,   0.067,  -0.035)  (  0.150,   0.067,  -0.035)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.011,  -0.041,   0.013)  ( -0.010,  -0.036,   0.012)  ( 0.00,  0.02,  0.00)
178:     vdw     ( -1.009,  -4.181,  -1.167)  ( -1.009,  -4.181,  -1.167)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.053,   0.135,  -0.399)  ( -1.053,   0.135,  -0.399)  ( 0.00,  0.00,  0.00)
178:  3       ( -1.196,  -0.099,  -1.352)  ( -1.194,  -0.124,  -1.338)  ( 0.11,  0.25,  1.02)
178:     bond    ( -4.431,   5.571,  14.123)  ( -4.424,   5.572,  14.127)  ( 0.17,  0.01,  0.03)
178:     angle   (  2.807,  -2.317,  -5.897)  (  2.808,  -2.317,  -5.895)  ( 0.05,  0.01,  0.04)
178:     strbnd  ( -0.396,  -3.222, -10.930)  ( -0.396,  -3.222, -10.931)  ( 0.03,  0.00,  0.01)
178:     torsion (  0.009,   0.024,  -0.016)  (  0.009,   0.024,  -0.016)  ( 0.00,  0.00,  0.00)
178:     oop     (  0.040,   0.151,  -0.046)  (  0.033,   0.124,  -0.038)  ( 0.03,  0.41,  0.04)
178:     vdw     ( -1.180,  -0.564,  -1.315)  ( -1.180,  -0.564,  -1.315)  ( 0.00,  0.00,  0.00)
178:     electro (  1.956,   0.259,   2.729)  (  1.956,   0.259,   2.729)  ( 0.00,  0.00,  0.00)
178:  4       ( -0.453,   0.371,   0.817)  ( -0.453,   0.347,   0.833)  ( 0.03,  0.90,  1.31)
178:     bond    ( 11.836,  -5.927,  -8.661)  ( 11.841,  -5.926,  -8.655)  ( 0.04,  0.01,  0.08)
178:     angle   ( -4.489,   2.870,   4.414)  ( -4.487,   2.870,   4.415)  ( 0.05,  0.01,  0.03)
178:     strbnd  ( -9.187,   3.979,   4.504)  ( -9.187,   3.979,   4.504)  ( 0.01,  0.00,  0.01)
178:     torsion ( -0.003,   0.015,   0.000)  ( -0.003,   0.016,   0.000)  ( 0.00,  0.00,  0.00)
178:     oop     (  0.040,   0.146,  -0.047)  (  0.033,   0.121,  -0.038)  ( 0.03,  0.38,  0.04)
178:     vdw     ( -1.795,  -0.128,  -0.448)  ( -1.795,  -0.128,  -0.448)  ( 0.00,  0.00,  0.00)
178:     electro (  3.145,  -0.584,   1.055)  (  3.145,  -0.584,   1.055)  ( 0.00,  0.00,  0.00)
178:  5       ( -0.041,   0.004,   0.038)  ( -0.035,   0.010,   0.045)  ( 0.02,  0.00,  0.03)
178:     bond    ( 13.675,  -9.287, -16.484)  ( 13.679,  -9.286, -16.477)  ( 0.03,  0.01,  0.04)
178:     angle   (  6.589,   0.956,  -3.854)  (  6.590,   0.957,  -3.852)  ( 0.03,  0.06,  0.04)
178:     strbnd  (-16.570,  11.056,  19.409)  (-16.571,  11.055,  19.409)  ( 0.01,  0.00,  0.00)
178:     torsion (  0.066,   0.138,   0.084)  (  0.066,   0.138,   0.084)  ( 0.00,  0.01,  0.00)
178:     oop     ( -0.010,  -0.039,   0.012)  ( -0.009,  -0.035,   0.011)  ( 0.00,  0.02,  0.00)
178:     vdw     ( -3.074,  -2.716,   1.743)  ( -3.074,  -2.716,   1.743)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.716,  -0.103,  -0.873)  ( -0.716,  -0.103,  -0.873)  ( 0.00,  0.00,  0.00)
178:  6       (  0.013,  -0.004,  -0.008)  (  0.016,   0.001,  -0.008)  ( 0.00,  0.00,  0.00)
178:     bond    ( 11.948,  -5.575,  -8.525)  ( 11.950,  -5.574,  -8.524)  ( 0.01,  0.01,  0.01)
178:     angle   ( -0.801,  -0.056,  -1.086)  ( -0.801,  -0.057,  -1.085)  ( 0.01,  0.00,  0.03)
178:     strbnd  (-17.035,   8.265,  13.244)  (-17.035,   8.265,  13.244)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.113,  -0.440,   0.129)  ( -0.113,  -0.440,   0.129)  ( 0.00,  0.01,  0.00)
178:     oop     ( -0.004,  -0.017,   0.005)  ( -0.003,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
178:     vdw     (  5.058,  -1.595,  -0.879)  (  5.058,  -1.595,  -0.879)  ( 0.00,  0.00,  0.00)
178:     electro (  0.961,  -0.585,  -2.896)  (  0.961,  -0.585,  -2.896)  ( 0.00,  0.00,  0.00)
178:  7       (  0.004,  -0.006,  -0.007)  (  0.009,   0.011,  -0.010)  ( 0.00,  0.01,  0.00)
178:     bond    ( -1.576,  -0.689,  -3.698)  ( -1.575,  -0.689,  -3.696)  ( 0.02,  0.00,  0.06)
178:     angle   ( -1.762,   0.781,   0.606)  ( -1.762,   0.781,   0.606)  ( 0.02,  0.00,  0.00)
178:     strbnd  (  3.973,   2.058,  10.392)  (  3.974,   2.058,  10.392)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.002,   0.010,  -0.003)  (  0.002,   0.010,  -0.003)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.021,  -0.079,   0.024)  ( -0.017,  -0.062,   0.019)  ( 0.01,  0.13,  0.01)
178:     vdw     ( -0.489,  -2.014,  -7.035)  ( -0.489,  -2.014,  -7.035)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.123,  -0.073,  -0.293)  ( -0.123,  -0.073,  -0.293)  ( 0.00,  0.00,  0.00)
178:  8       ( -0.014,   0.006,   0.005)  ( -0.006,   0.023,   0.000)  ( 0.01,  0.01,  0.00)
178:     bond    ( -3.952,   0.990,  -0.369)  ( -3.949,   0.990,  -0.369)  ( 0.06,  0.01,  0.00)
178:     angle   (  0.055,  -0.510,  -1.957)  (  0.055,  -0.510,  -1.957)  ( 0.00,  0.00,  0.02)
178:     strbnd  ( 10.930,  -2.876,   0.597)  ( 10.930,  -2.875,   0.597)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.004,   0.013,  -0.005)  (  0.004,   0.013,  -0.005)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.022,  -0.078,   0.025)  ( -0.017,  -0.061,   0.019)  ( 0.01,  0.13,  0.01)
178:     vdw     ( -6.710,   2.400,   1.731)  ( -6.710,   2.400,   1.731)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.319,   0.065,  -0.017)  ( -0.319,   0.065,  -0.017)  ( 0.00,  0.00,  0.00)
178:  9       (  0.001,  -0.005,  -0.013)  (  0.003,   0.000,  -0.012)  ( 0.00,  0.00,  0.00)
178:     bond    ( -4.048,   5.770,  13.996)  ( -4.048,   5.770,  13.999)  ( 0.00,  0.01,  0.02)
178:     angle   ( -1.241,   0.257,  -0.465)  ( -1.241,   0.257,  -0.465)  ( 0.03,  0.00,  0.00)
178:     strbnd  (  6.786,  -8.639, -20.325)  (  6.786,  -8.639, -20.325)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.124,  -0.435,   0.144)  ( -0.124,  -0.435,   0.144)  ( 0.00,  0.01,  0.00)
178:     oop     ( -0.005,  -0.018,   0.006)  ( -0.004,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
178:     vdw     (  0.799,   1.425,   5.120)  (  0.799,   1.425,   5.120)  ( 0.01,  0.00,  0.00)
178:     electro ( -2.167,   1.634,   1.511)  ( -2.167,   1.634,   1.511)  ( 0.00,  0.00,  0.00)
178: 10       ( -0.041,  -0.122,   0.031)  ( -0.038,  -0.116,   0.034)  ( 0.01,  0.07,  0.01)
178:     bond    ( -3.216, -14.697,   5.117)  ( -3.214, -14.692,   5.118)  ( 0.06,  0.04,  0.02)
178:     angle   ( -7.773,   6.823,  -8.945)  ( -7.771,   6.824,  -8.944)  ( 0.02,  0.01,  0.01)
178:     strbnd  (  6.282,   1.107,   3.899)  (  6.282,   1.107,   3.898)  ( 0.01,  0.00,  0.01)
178:     torsion (  0.055,  -0.068,   0.073)  (  0.055,  -0.068,   0.073)  ( 0.00,  0.00,  0.00)
178:     oop     (  0.002,  -0.001,  -0.002)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.079,   0.861,   1.042)  (  2.079,   0.861,   1.042)  ( 0.00,  0.00,  0.00)
178:     electro (  2.530,   5.853,  -1.152)  (  2.530,   5.853,  -1.152)  ( 0.00,  0.00,  0.00)
178: 11       ( -0.148,   0.096,  -0.138)  ( -0.138,   0.102,  -0.133)  ( 0.15,  0.06,  0.07)
178:     bond    ( -2.324,  11.771,  -7.579)  ( -2.317,  11.777,  -7.575)  ( 0.31,  0.05,  0.07)
178:     angle   ( -3.241,  -6.144,   0.794)  ( -3.239,  -6.142,   0.795)  ( 0.06,  0.04,  0.10)
178:     strbnd  (  3.432,   4.890,  -0.026)  (  3.432,   4.889,  -0.026)  ( 0.02,  0.02,  0.00)
178:     torsion ( -0.002,   0.001,   0.002)  ( -0.002,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.006,   0.004,   0.007)  ( -0.005,   0.003,   0.007)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.330,  -2.187,   2.045)  (  1.330,  -2.187,   2.045)  ( 0.00,  0.01,  0.00)
178:     electro (  0.662,  -8.239,   4.619)  (  0.662,  -8.239,   4.619)  ( 0.00,  0.00,  0.00)
178: 12       (  0.104,  -0.045,   0.088)  (  0.109,  -0.043,   0.092)  ( 0.05,  0.01,  0.04)
178:     bond    (  2.062,  -0.697,   1.813)  (  2.066,  -0.696,   1.817)  ( 0.24,  0.04,  0.21)
178:     angle   (  4.094,   8.524,  -1.388)  (  4.094,   8.525,  -1.388)  ( 0.00,  0.01,  0.00)
178:     strbnd  ( -2.194,   1.376,  -2.250)  ( -2.194,   1.376,  -2.250)  ( 0.00,  0.01,  0.00)
178:     torsion (  0.001,  -0.001,  -0.001)  (  0.001,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
178:     oop     (  0.002,  -0.002,  -0.003)  (  0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -4.811,   4.186,  -5.523)  ( -4.811,   4.186,  -5.523)  ( 0.00,  0.01,  0.00)
178:     electro (  0.951, -13.432,   7.439)  (  0.951, -13.432,   7.439)  ( 0.00,  0.00,  0.00)
178: 13       (  0.019,  -0.062,   0.035)  (  0.022,  -0.057,   0.038)  ( 0.01,  0.03,  0.01)
178:     bond    ( -0.415,   6.996,  -3.819)  ( -0.413,   7.000,  -3.818)  ( 0.10,  0.06,  0.03)
178:     angle   (  8.099,   0.357,   5.569)  (  8.100,   0.358,   5.570)  ( 0.01,  0.02,  0.02)
178:     strbnd  ( -1.445,  -0.164,  -0.943)  ( -1.445,  -0.164,  -0.943)  ( 0.01,  0.00,  0.00)
178:     torsion (  0.096,   0.027,   0.051)  (  0.096,   0.027,   0.051)  ( 0.00,  0.00,  0.00)
178:     oop     (  0.002,  -0.001,  -0.003)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -1.982,  -2.198,  -0.300)  ( -1.982,  -2.198,  -0.300)  ( 0.00,  0.00,  0.00)
178:     electro ( -4.335,  -5.079,  -0.519)  ( -4.335,  -5.079,  -0.519)  ( 0.00,  0.00,  0.00)
178: 14       (  0.006,   0.040,  -0.035)  (  0.012,   0.045,  -0.029)  ( 0.00,  0.02,  0.02)
178:     bond    (  2.536,  -3.983,   3.794)  (  2.540,  -3.979,   3.799)  ( 0.17,  0.11,  0.12)
178:     angle   ( -4.065,   3.789,  -4.804)  ( -4.063,   3.791,  -4.803)  ( 0.05,  0.05,  0.04)
178:     strbnd  ( -0.833,   0.598,  -0.890)  ( -0.834,   0.596,  -0.891)  ( 0.05,  0.09,  0.05)
178:     torsion ( -0.191,  -0.892,   0.315)  ( -0.191,  -0.892,   0.315)  ( 0.00,  0.01,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  6.216,   6.029,   1.376)  (  6.216,   6.029,   1.376)  ( 0.00,  0.00,  0.00)
178:     electro ( -3.657,  -5.500,   0.174)  ( -3.657,  -5.500,   0.174)  ( 0.00,  0.00,  0.00)
178: 15       ( -0.047,  -0.022,   0.038)  ( -0.042,  -0.016,   0.044)  ( 0.03,  0.01,  0.02)
178:     bond    ( -2.867,  -2.743,  -0.596)  ( -2.863,  -2.738,  -0.591)  ( 0.15,  0.16,  0.26)
178:     angle   (  3.517,  -2.080,   3.550)  (  3.519,  -2.078,   3.552)  ( 0.05,  0.09,  0.05)
178:     strbnd  (  0.684,   0.667,   0.147)  (  0.683,   0.666,   0.146)  ( 0.06,  0.04,  0.01)
178:     torsion ( -1.441,   4.053,  -3.064)  ( -1.441,   4.053,  -3.064)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.060,   0.081,   0.002)  (  0.060,   0.081,   0.002)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 16       ( -0.011,  -0.078,   0.040)  ( -0.010,  -0.073,   0.042)  ( 0.00,  0.05,  0.01)
178:     bond    ( -0.642,   8.502,  -4.741)  ( -0.642,   8.508,  -4.739)  ( 0.00,  0.07,  0.04)
178:     angle   ( -2.615,  -0.955,  -1.361)  ( -2.614,  -0.955,  -1.360)  ( 0.03,  0.02,  0.04)
178:     strbnd  (  0.050,  -9.018,   4.574)  (  0.050,  -9.018,   4.574)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.486,  -1.486,   1.804)  (  1.486,  -1.486,   1.804)  ( 0.00,  0.00,  0.00)
178:     electro (  1.710,   2.879,  -0.236)  (  1.710,   2.879,  -0.236)  ( 0.00,  0.00,  0.00)
178: 17       ( -0.005,   0.002,  -0.011)  ( -0.004,   0.003,  -0.007)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.079,   0.242,   1.908)  ( -0.079,   0.242,   1.911)  ( 0.00,  0.00,  0.17)
178:     angle   ( -1.927,  -2.302,   0.212)  ( -1.927,  -2.301,   0.212)  ( 0.03,  0.03,  0.00)
178:     strbnd  (  0.174,  -0.470,   0.195)  (  0.174,  -0.470,   0.195)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.269,  -0.028,   0.015)  (  0.269,  -0.028,   0.015)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.559,   2.559,  -2.340)  (  1.559,   2.559,  -2.340)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 18       ( -0.013,   0.008,  -0.002)  ( -0.010,   0.010,  -0.001)  ( 0.00,  0.00,  0.00)
178:     bond    (  1.600,  -0.952,  -0.465)  (  1.603,  -0.952,  -0.465)  ( 0.15,  0.08,  0.01)
178:     angle   ( -1.585,  -2.541,  -0.266)  ( -1.585,  -2.540,  -0.265)  ( 0.01,  0.02,  0.01)
178:     strbnd  (  0.041,  -0.375,   0.383)  (  0.041,  -0.375,   0.383)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.115,   0.081,   0.231)  (  0.115,   0.081,   0.231)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.184,   3.795,   0.115)  ( -0.184,   3.795,   0.115)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 19       ( -0.003,   0.007,  -0.003)  ( -0.003,   0.010,  -0.002)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.011,  -0.341,   0.161)  ( -0.011,  -0.338,   0.162)  ( 0.00,  0.09,  0.01)
178:     angle   ( -0.425,  -0.104,  -0.247)  ( -0.425,  -0.104,  -0.246)  ( 0.02,  0.00,  0.01)
178:     strbnd  ( -0.183,  -0.109,  -0.074)  ( -0.183,  -0.109,  -0.074)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.617,   0.560,   0.156)  (  0.617,   0.560,   0.156)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       (  0.031,  -0.017,  -0.014)  (  0.033,  -0.015,  -0.014)  ( 0.01,  0.00,  0.00)
178:     bond    ( -1.142,   0.665,   0.296)  ( -1.140,   0.665,   0.296)  ( 0.21,  0.05,  0.00)
178:     angle   ( -0.598,   0.006,  -2.313)  ( -0.598,   0.007,  -2.313)  ( 0.01,  0.00,  0.02)
178:     strbnd  (  0.341,  -0.436,  -0.190)  (  0.341,  -0.436,  -0.190)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.100,  -1.141,   2.178)  ( -0.100,  -1.141,   2.178)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.529,   0.890,   0.014)  (  1.529,   0.890,   0.014)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 21       (  0.003,   0.010,  -0.024)  (  0.003,   0.010,  -0.020)  ( 0.00,  0.00,  0.01)
178:     bond    (  0.025,  -0.167,  -1.404)  (  0.025,  -0.167,  -1.400)  ( 0.00,  0.00,  0.24)
178:     angle   ( -2.115,   1.092,  -0.168)  ( -2.114,   1.093,  -0.168)  ( 0.03,  0.04,  0.00)
178:     strbnd  ( -0.186,  -0.062,   0.552)  ( -0.186,  -0.062,   0.552)  ( 0.00,  0.00,  0.00)
178:     torsion (  1.253,  -2.101,   0.273)  (  1.253,  -2.101,   0.273)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.026,   1.247,   0.724)  (  1.026,   1.247,   0.724)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 8 # gradients 
178: ok 9 # energy 
178: ----------------------------------------------------------------------------------------
178:                                                                                         
178:   VALIDATE GRADIENTS : semdix.xyz
178:                                                                                         
178:                                                                                         
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       ( -0.039,  -0.073,   0.047)  ( -0.036,  -0.064,   0.051)  ( 0.01,  0.06,  0.02)
178:     bond    ( -7.512,   1.783,  -2.223)  ( -7.509,   1.791,  -2.220)  ( 0.04,  0.44,  0.14)
178:     angle   (  9.520,   8.593,   6.171)  (  9.521,   8.594,   6.173)  ( 0.01,  0.01,  0.03)
178:     strbnd  (-12.566,   3.932,  -2.829)  (-12.567,   3.932,  -2.830)  ( 0.00,  0.01,  0.02)
178:     torsion (  0.272,   0.999,  -0.774)  (  0.272,   0.999,  -0.774)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  8.163, -13.337,  -0.869)  (  8.163, -13.337,  -0.869)  ( 0.00,  0.00,  0.00)
178:     electro (  2.084,  -2.043,   0.571)  (  2.084,  -2.043,   0.571)  ( 0.00,  0.00,  0.00)
178:  2       ( -0.001,  -0.011,   0.004)  (  0.000,  -0.009,   0.007)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.455,   0.358,  -0.667)  (  0.457,   0.359,  -0.665)  ( 0.05,  0.03,  0.16)
178:     angle   (  4.611,  -3.755,   1.139)  (  4.612,  -3.754,   1.139)  ( 0.01,  0.02,  0.02)
178:     strbnd  ( -0.238,   1.721,   0.675)  ( -0.238,   1.720,   0.675)  ( 0.00,  0.00,  0.01)
178:     torsion (  0.420,  -0.286,   0.134)  (  0.420,  -0.286,   0.134)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.879,  -9.651,   0.860)  (  3.879,  -9.651,   0.860)  ( 0.00,  0.00,  0.00)
178:     electro ( -9.129,  11.602,  -2.137)  ( -9.129,  11.602,  -2.137)  ( 0.00,  0.00,  0.00)
178:  3       (  0.003,  -0.013,   0.006)  (  0.004,  -0.007,   0.006)  ( 0.00,  0.01,  0.00)
178:     bond    (  0.045,  -0.386,  -0.051)  (  0.045,  -0.380,  -0.051)  ( 0.00,  0.23,  0.00)
178:     angle   ( -3.619,  -0.541,   0.864)  ( -3.619,  -0.541,   0.864)  ( 0.02,  0.00,  0.03)
178:     strbnd  ( -0.660,   0.252,  -0.120)  ( -0.660,   0.252,  -0.120)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.212,  -0.151,   0.948)  ( -0.212,  -0.151,   0.948)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.344,  -0.504,   0.445)  (  1.344,  -0.504,   0.445)  ( 0.00,  0.00,  0.00)
178:     electro (  3.105,   1.317,  -2.081)  (  3.105,   1.317,  -2.081)  ( 0.00,  0.00,  0.00)
178:  4       (  0.044,   0.056,  -0.067)  (  0.045,   0.058,  -0.063)  ( 0.01,  0.01,  0.02)
178:     bond    ( -0.400,  -0.524,   0.650)  ( -0.398,  -0.522,   0.653)  ( 0.04,  0.10,  0.20)
178:     angle   ( -5.854,   2.869,  -1.277)  ( -5.853,   2.870,  -1.277)  ( 0.01,  0.01,  0.01)
178:     strbnd  ( -1.135,  -0.538,   0.610)  ( -1.135,  -0.538,   0.610)  ( 0.01,  0.01,  0.01)
178:     torsion (  0.032,  -0.698,  -0.538)  (  0.032,  -0.698,  -0.538)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 10.552,  -8.215,   3.363)  ( 10.552,  -8.215,   3.363)  ( 0.00,  0.00,  0.00)
178:     electro ( -3.151,   7.161,  -2.875)  ( -3.151,   7.161,  -2.875)  ( 0.00,  0.00,  0.00)
178:  5       ( -0.016,  -0.032,  -0.036)  ( -0.011,  -0.028,  -0.031)  ( 0.01,  0.02,  0.02)
178:     bond    (  8.665,  -5.869,  -2.407)  (  8.668,  -5.866,  -2.405)  ( 0.03,  0.04,  0.11)
178:     angle   ( 14.891, -11.135,  -0.108)  ( 14.893, -11.133,  -0.105)  ( 0.02,  0.02,  0.03)
178:     strbnd  ( -4.622,   7.292,  -0.077)  ( -4.623,   7.291,  -0.078)  ( 0.02,  0.01,  0.01)
178:     torsion (  0.115,  -0.478,   0.649)  (  0.115,  -0.478,   0.649)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.615,  -0.366,   0.687)  (  0.615,  -0.366,   0.687)  ( 0.00,  0.00,  0.00)
178:     electro (-19.678,  10.524,   1.221)  (-19.678,  10.524,   1.221)  ( 0.00,  0.00,  0.00)
178:  6       ( -0.030,   0.012,   0.002)  ( -0.026,   0.016,   0.008)  ( 0.01,  0.01,  0.00)
178:     bond    ( -5.107,  28.856,  -3.817)  ( -5.104,  28.859,  -3.812)  ( 0.06,  0.01,  0.13)
178:     angle   (-16.294, -14.070,  -0.576)  (-16.291, -14.068,  -0.574)  ( 0.02,  0.02,  0.12)
178:     strbnd  ( 14.404,  -7.085,   3.027)  ( 14.402,  -7.086,   3.026)  ( 0.01,  0.01,  0.02)
178:     torsion (  0.382,  -0.345,   0.073)  (  0.382,  -0.345,   0.073)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  6.585,  -7.344,   1.295)  (  6.585,  -7.344,   1.295)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  7       ( -0.008,   0.056,   0.024)  ( -0.002,   0.062,   0.028)  ( 0.00,  0.03,  0.01)
178:     bond    (-17.495,  -2.527,  22.456)  (-17.491,  -2.523,  22.459)  ( 0.02,  0.17,  0.01)
178:     angle   (  6.906,   4.793, -20.315)  (  6.908,   4.795, -20.313)  ( 0.03,  0.05,  0.01)
178:     strbnd  ( -0.312,   0.860,  -1.629)  ( -0.313,   0.860,  -1.630)  ( 0.02,  0.06,  0.07)
178:     torsion (  0.078,   0.540,   0.603)  (  0.078,   0.540,   0.603)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.365,   6.410,  -7.993)  (  0.365,   6.411,  -7.993)  ( 0.01,  0.00,  0.00)
178:     electro ( 10.449, -10.021,   6.902)  ( 10.449, -10.021,   6.902)  ( 0.00,  0.00,  0.00)
178:  8       ( -0.016,   0.021,   0.017)  ( -0.011,   0.026,   0.023)  ( 0.01,  0.01,  0.01)
178:     bond    (  5.818,  -7.958,   2.136)  (  5.822,  -7.954,   2.140)  ( 0.08,  0.05,  0.20)
178:     angle   ( -9.508,   5.167,   2.401)  ( -9.507,   5.169,   2.402)  ( 0.02,  0.04,  0.07)
178:     strbnd  ( -1.075,  -2.063,   3.999)  ( -1.075,  -2.064,   3.999)  ( 0.05,  0.04,  0.01)
178:     torsion (  1.216,   0.373,  -0.759)  (  1.216,   0.373,  -0.759)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.533,   4.502,  -7.760)  (  3.533,   4.502,  -7.760)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  9       ( -0.034,   0.039,   0.014)  ( -0.028,   0.044,   0.018)  ( 0.02,  0.02,  0.01)
178:     bond    (-10.691, -17.476, -11.199)  (-10.687, -17.472, -11.195)  ( 0.04,  0.02,  0.03)
178:     angle   (  6.844,  25.523,   4.420)  (  6.847,  25.525,   4.423)  ( 0.03,  0.01,  0.05)
178:     strbnd  ( -0.703,  -2.771,   2.914)  ( -0.704,  -2.772,   2.913)  ( 0.03,  0.03,  0.04)
178:     torsion ( -1.271,   0.298,  -0.007)  ( -1.271,   0.298,  -0.007)  ( 0.01,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.611,   6.133,   7.845)  ( -0.611,   6.133,   7.845)  ( 0.01,  0.00,  0.00)
178:     electro (  6.398, -11.668,  -3.961)  (  6.398, -11.668,  -3.961)  ( 0.00,  0.00,  0.00)
178: 10       ( -0.043,   0.023,  -0.058)  ( -0.037,   0.029,  -0.053)  ( 0.03,  0.01,  0.03)
178:     bond    (  2.273,   4.210,  -7.157)  (  2.278,   4.215,  -7.153)  ( 0.20,  0.11,  0.06)
178:     angle   ( -4.782,  -9.381,   5.110)  ( -4.780,  -9.380,   5.112)  ( 0.04,  0.02,  0.04)
178:     strbnd  ( -0.590,  -1.767,  -5.703)  ( -0.590,  -1.768,  -5.704)  ( 0.03,  0.02,  0.02)
178:     torsion (  0.624,   0.972,   0.410)  (  0.624,   0.972,   0.410)  ( 0.00,  0.01,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.432,   5.989,   7.283)  (  2.432,   5.989,   7.283)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 11       (  0.006,  -0.014,   0.008)  (  0.010,  -0.008,   0.014)  ( 0.00,  0.01,  0.00)
178:     bond    ( 18.679,  -2.807,  -6.521)  ( 18.682,  -2.803,  -6.517)  ( 0.02,  0.16,  0.07)
178:     angle   (-21.205,  14.183,   9.289)  (-21.203,  14.185,   9.291)  ( 0.01,  0.01,  0.02)
178:     strbnd  (  1.878,  -2.321,  -3.338)  (  1.877,  -2.322,  -3.338)  ( 0.08,  0.02,  0.02)
178:     torsion (  0.229,  -0.649,  -0.324)  (  0.229,  -0.649,  -0.324)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -9.496,  -1.546,  -1.456)  ( -9.496,  -1.546,  -1.456)  ( 0.00,  0.01,  0.01)
178:     electro (  9.922,  -6.874,   2.359)  (  9.922,  -6.874,   2.359)  ( 0.00,  0.00,  0.00)
178: 12       ( -0.001,   0.032,   0.005)  (  0.005,   0.038,   0.010)  ( 0.00,  0.02,  0.00)
178:     bond    (  1.992,   4.956,   6.984)  (  1.996,   4.961,   6.989)  ( 0.21,  0.09,  0.06)
178:     angle   (  3.962,  -6.006,  -8.362)  (  3.964,  -6.004,  -8.360)  ( 0.04,  0.03,  0.02)
178:     strbnd  (  4.498,   2.135,   1.871)  (  4.497,   2.135,   1.870)  ( 0.01,  0.03,  0.04)
178:     torsion ( -1.062,   0.377,   0.291)  ( -1.062,   0.377,   0.291)  ( 0.01,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -9.391,  -1.430,  -0.779)  ( -9.391,  -1.430,  -0.779)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 13       (  0.009,   0.002,   0.000)  (  0.010,   0.004,   0.003)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.237,   0.694,   1.067)  (  0.237,   0.695,   1.069)  ( 0.00,  0.07,  0.22)
178:     angle   ( -2.166,   2.271,  -0.996)  ( -2.166,   2.271,  -0.996)  ( 0.03,  0.02,  0.02)
178:     strbnd  ( -0.528,   2.326,  -1.506)  ( -0.528,   2.326,  -1.506)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.333,   0.625,  -0.333)  ( -0.333,   0.625,  -0.333)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.799,  -5.914,   1.768)  (  2.799,  -5.914,   1.768)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 14       (  0.001,  -0.041,  -0.025)  (  0.002,  -0.038,  -0.023)  ( 0.00,  0.01,  0.00)
178:     bond    (  0.121,   0.978,   0.855)  (  0.121,   0.980,   0.856)  ( 0.00,  0.19,  0.12)
178:     angle   ( -0.835,  -2.814,   3.339)  ( -0.835,  -2.814,   3.339)  ( 0.04,  0.01,  0.01)
178:     strbnd  ( -1.501,  -1.444,   1.827)  ( -1.501,  -1.444,   1.827)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.525,   0.316,  -0.288)  ( -0.525,   0.316,  -0.288)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.741,   2.922,  -5.758)  (  2.741,   2.922,  -5.758)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 15       ( -0.009,  -0.007,  -0.008)  ( -0.006,  -0.006,  -0.008)  ( 0.00,  0.00,  0.00)
178:     bond    (  2.025,   0.488,   0.203)  (  2.028,   0.489,   0.203)  ( 0.16,  0.01,  0.00)
178:     angle   (  0.918,  -6.276,   5.935)  (  0.918,  -6.276,   5.935)  ( 0.00,  0.01,  0.01)
178:     strbnd  (  0.315,  -0.157,   2.848)  (  0.315,  -0.157,   2.848)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.156,  -0.632,  -0.038)  (  0.156,  -0.632,  -0.038)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -3.424,   6.571,  -8.956)  ( -3.423,   6.571,  -8.956)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 16       (  0.004,  -0.019,  -0.010)  (  0.005,  -0.017,  -0.009)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.003,  -0.033,  -0.027)  ( -0.003,  -0.031,  -0.026)  ( 0.00,  0.01,  0.00)
178:     angle   (  0.672,  -2.508,   2.974)  (  0.672,  -2.507,   2.974)  ( 0.03,  0.01,  0.01)
178:     strbnd  (  0.326,  -0.072,   0.486)  (  0.326,  -0.072,   0.486)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.349,  -0.122,   0.183)  ( -0.349,  -0.122,   0.183)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.641,   2.715,  -3.627)  ( -0.641,   2.716,  -3.627)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 17       ( -0.002,  -0.006,  -0.010)  ( -0.001,  -0.005,  -0.007)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.770,  -0.513,   1.530)  ( -0.769,  -0.513,   1.533)  ( 0.05,  0.01,  0.16)
178:     angle   (  0.484,  -0.101,   0.210)  (  0.485,  -0.100,   0.210)  ( 0.02,  0.00,  0.00)
178:     strbnd  (  0.903,  -0.019,  -1.089)  (  0.903,  -0.019,  -1.089)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.167,  -0.152,  -0.135)  ( -0.167,  -0.152,  -0.135)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.453,   0.779,  -0.526)  ( -0.453,   0.779,  -0.526)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 18       (  0.009,  -0.007,  -0.006)  (  0.013,  -0.006,  -0.005)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.186,  -0.031,  -0.038)  ( -0.183,  -0.031,  -0.038)  ( 0.06,  0.00,  0.00)
178:     angle   ( -0.001,  -3.690,   3.012)  ( -0.001,  -3.689,   3.012)  ( 0.00,  0.01,  0.01)
178:     strbnd  ( -0.238,  -0.555,   0.057)  ( -0.238,  -0.555,   0.057)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.181,   0.195,   0.704)  ( -0.181,   0.195,   0.704)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.615,   4.074,  -3.740)  (  0.615,   4.074,  -3.740)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 19       (  0.019,  -0.041,   0.008)  (  0.020,  -0.038,   0.009)  ( 0.00,  0.01,  0.00)
178:     bond    (  0.677,  -1.445,   0.292)  (  0.678,  -1.442,   0.292)  ( 0.04,  0.19,  0.00)
178:     angle   ( -1.005,  -1.216,  -3.671)  ( -1.005,  -1.216,  -3.670)  ( 0.04,  0.01,  0.02)
178:     strbnd  ( -1.742,  -0.148,  -1.789)  ( -1.742,  -0.148,  -1.789)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.210,   0.090,  -0.042)  (  0.210,   0.090,  -0.042)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.877,   2.677,   5.218)  (  1.877,   2.677,   5.218)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       ( -0.005,  -0.001,   0.002)  ( -0.002,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.952,  -0.106,   0.112)  ( -0.948,  -0.106,   0.112)  ( 0.32,  0.00,  0.00)
178:     angle   (  0.138,  -5.030,  -3.586)  (  0.138,  -5.030,  -3.585)  ( 0.00,  0.01,  0.02)
178:     strbnd  (  0.526,  -1.605,  -1.670)  (  0.526,  -1.605,  -1.670)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.072,  -0.421,   0.214)  (  0.072,  -0.421,   0.214)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.210,   7.161,   4.932)  (  0.210,   7.161,   4.932)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 21       (  0.018,  -0.034,   0.016)  (  0.019,  -0.031,   0.017)  ( 0.00,  0.01,  0.00)
178:     bond    (  0.310,  -0.673,   0.202)  (  0.310,  -0.671,   0.202)  ( 0.02,  0.18,  0.00)
178:     angle   (  0.167,  -1.396,  -4.895)  (  0.167,  -1.396,  -4.895)  ( 0.01,  0.01,  0.01)
178:     strbnd  (  0.282,  -0.193,  -0.326)  (  0.282,  -0.193,  -0.326)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.415,  -0.240,  -0.161)  ( -0.415,  -0.240,  -0.161)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.326,   2.469,   5.196)  ( -0.326,   2.469,   5.196)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 22       (  0.021,   0.013,   0.021)  (  0.022,   0.015,   0.022)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.705,  -1.304,  -1.176)  ( -0.704,  -1.303,  -1.174)  ( 0.03,  0.12,  0.11)
178:     angle   (  0.266,   0.180,  -0.359)  (  0.266,   0.180,  -0.359)  ( 0.01,  0.00,  0.01)
178:     strbnd  (  0.688,   1.241,   0.578)  (  0.688,   1.241,   0.578)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.120,   0.072,  -0.007)  ( -0.120,   0.072,  -0.007)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.109,  -0.174,   0.986)  ( -0.109,  -0.174,   0.986)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 23       ( -0.000,  -0.006,  -0.006)  (  0.003,  -0.006,  -0.006)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.046,  -0.002,   0.007)  ( -0.043,  -0.002,   0.007)  ( 0.02,  0.00,  0.00)
178:     angle   ( -0.685,  -1.089,  -4.223)  ( -0.685,  -1.089,  -4.222)  ( 0.00,  0.04,  0.01)
178:     strbnd  ( -0.401,   0.150,  -0.337)  ( -0.401,   0.150,  -0.337)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.006,  -0.562,  -0.156)  ( -0.006,  -0.562,  -0.156)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.137,   1.497,   4.703)  (  1.137,   1.497,   4.703)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 24       (  0.001,   0.001,  -0.010)  (  0.002,   0.002,  -0.007)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.241,   0.312,  -0.823)  (  0.241,   0.312,  -0.820)  ( 0.01,  0.01,  0.23)
178:     angle   (  6.530,  -0.021,   1.914)  (  6.530,  -0.020,   1.914)  ( 0.01,  0.00,  0.01)
178:     strbnd  (  1.607,  -0.705,   1.140)  (  1.607,  -0.705,   1.140)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.241,   0.199,   0.005)  ( -0.241,   0.199,   0.005)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -8.135,   0.216,  -2.247)  ( -8.135,   0.216,  -2.246)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 25       (  0.001,  -0.003,  -0.006)  (  0.002,  -0.000,  -0.005)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.584,  -1.508,   0.127)  (  0.584,  -1.505,   0.127)  ( 0.03,  0.19,  0.00)
178:     angle   (  3.179,   1.068,  -1.976)  (  3.180,   1.068,  -1.975)  ( 0.02,  0.01,  0.03)
178:     strbnd  (  1.545,   1.128,  -0.502)  (  1.545,   1.128,  -0.502)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.227,   0.048,  -0.478)  (  0.227,   0.048,  -0.478)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -5.534,  -0.739,   2.823)  ( -5.534,  -0.739,   2.823)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 26       (  0.000,  -0.022,  -0.005)  (  0.001,  -0.019,  -0.005)  ( 0.00,  0.01,  0.00)
178:     bond    ( -0.113,   0.424,  -0.059)  ( -0.112,   0.427,  -0.059)  ( 0.00,  0.13,  0.00)
178:     angle   (  3.229,   1.089,   1.750)  (  3.230,   1.089,   1.750)  ( 0.01,  0.00,  0.03)
178:     strbnd  (  0.321,  -0.323,   0.447)  (  0.321,  -0.323,   0.447)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.630,   0.104,  -0.450)  (  0.630,   0.104,  -0.450)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -4.068,  -1.316,  -1.694)  ( -4.067,  -1.316,  -1.694)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 27       (  0.003,  -0.007,  -0.005)  (  0.004,  -0.006,  -0.002)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.111,   0.117,  -0.410)  (  0.111,   0.118,  -0.407)  ( 0.00,  0.00,  0.12)
178:     angle   (  3.583,   2.700,   1.758)  (  3.583,   2.701,   1.758)  ( 0.01,  0.02,  0.00)
178:     strbnd  (  0.267,   0.398,   0.009)  (  0.267,   0.398,   0.009)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.217,  -0.162,   0.012)  (  0.217,  -0.162,   0.012)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -4.174,  -3.061,  -1.375)  ( -4.174,  -3.061,  -1.375)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 28       ( -0.011,  -0.006,   0.002)  ( -0.007,  -0.005,   0.002)  ( 0.00,  0.00,  0.00)
178:     bond    (  1.690,  -0.082,  -0.103)  (  1.693,  -0.082,  -0.103)  ( 0.20,  0.00,  0.00)
178:     angle   (  0.030,   0.569,   0.034)  (  0.030,   0.569,   0.035)  ( 0.00,  0.03,  0.00)
178:     strbnd  ( -1.242,   0.339,   0.433)  ( -1.242,   0.339,   0.433)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.001,  -0.311,   0.262)  (  0.001,  -0.311,   0.262)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.489,  -0.521,  -0.624)  ( -0.489,  -0.521,  -0.624)  ( 0.00,  0.00,  0.00)
177:  1       ( 75.919,  23.900,  -8.357)  ( 75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
177:     bond    ( 43.256,   7.487, -14.578)  ( 43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
177:     angle   ( -0.077,   0.026,  -0.013)  ( -0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 27.650,   7.696,  -4.671)  ( 27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
177:     torsion ( -0.018,   0.018,   0.030)  ( -0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.004,   0.006,   0.012)  ( -0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.113,   8.667,  10.865)  (  5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  2       ( -0.007,  70.694, -37.613)  (  0.000,  70.701, -37.611)  ( 0.00,  0.01,  0.01)
177:     bond    ( -0.003,  34.123, -31.161)  (  0.000,  34.128, -31.160)  ( 0.00,  0.01,  0.00)
177:     angle   ( -0.002,   0.021,  -0.051)  (  0.000,   0.022,  -0.051)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -0.001,  24.741, -15.277)  (  0.000,  24.742, -15.276)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.007,  -0.022)  ( -0.000,  -0.006,  -0.021)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.005,  -0.010)  ( -0.000,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  11.821,   8.908)  (  0.000,  11.821,   8.908)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       ( -0.007, -70.710, -37.613)  (  0.000, -70.701, -37.611)  ( 0.00,  0.01,  0.01)
177:     bond    ( -0.003, -34.133, -31.161)  (  0.000, -34.128, -31.160)  ( 0.00,  0.01,  0.00)
177:     angle   ( -0.002,  -0.024,  -0.051)  (  0.000,  -0.022,  -0.051)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -0.001, -24.743, -15.277)  (  0.000, -24.742, -15.276)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,   0.006,  -0.022)  (  0.000,   0.006,  -0.021)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.005,  -0.010)  (  0.000,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000, -11.821,   8.908)  ( -0.000, -11.821,   8.908)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  4       ( 75.919, -23.913,  -8.357)  ( 75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
177:     bond    ( 43.256,  -7.494, -14.578)  ( 43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
177:     angle   ( -0.077,  -0.029,  -0.013)  ( -0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 27.650,  -7.698,  -4.671)  ( 27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
177:     torsion ( -0.018,  -0.018,   0.030)  ( -0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.004,  -0.006,   0.012)  ( -0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.113,  -8.667,  10.865)  (  5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       (-38.554,  47.292, -52.215)  (-38.549,  47.297, -52.209)  ( 0.01,  0.01,  0.01)
177:     bond    (-12.136,  26.876, -35.755)  (-12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
177:     angle   ( -0.007,   0.078,   0.012)  ( -0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
177:     strbnd  (-12.414,  17.157, -20.001)  (-12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.017,   0.014,  -0.020)  (  0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.005,   0.002,  -0.006)  (  0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-14.019,   3.164,   3.556)  (-14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  6       (-38.554, -47.306, -52.215)  (-38.549, -47.297, -52.209)  ( 0.01,  0.02,  0.01)
177:     bond    (-12.136, -26.884, -35.755)  (-12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
177:     angle   ( -0.007,  -0.081,   0.012)  ( -0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
177:     strbnd  (-12.414, -17.160, -20.001)  (-12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.017,  -0.014,  -0.020)  (  0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.005,  -0.002,  -0.006)  (  0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-14.019,  -3.165,   3.556)  (-14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  7       (-75.934,  23.900,  -8.357)  (-75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
177:     bond    (-43.264,   7.487, -14.578)  (-43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
177:     angle   (  0.075,   0.026,  -0.013)  (  0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
177:     strbnd  (-27.652,   7.696,  -4.671)  (-27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.017,   0.018,   0.030)  (  0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.004,   0.006,   0.012)  (  0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.113,   8.667,  10.865)  ( -5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  8       (-75.934, -23.913,  -8.357)  (-75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
177:     bond    (-43.264,  -7.494, -14.578)  (-43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
177:     angle   (  0.075,  -0.029,  -0.013)  (  0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
177:     strbnd  (-27.652,  -7.698,  -4.671)  (-27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.017,  -0.018,   0.030)  (  0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.004,  -0.006,   0.012)  (  0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.113,  -8.667,  10.865)  ( -5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       ( 47.292,  52.205,  38.542)  ( 47.297,  52.209,  38.549)  ( 0.01,  0.01,  0.02)
177:     bond    ( 26.876,  35.751,  12.130)  ( 26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
177:     angle   (  0.078,  -0.014,   0.005)  (  0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 17.157,  20.000,  12.412)  ( 17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.014,   0.019,  -0.017)  (  0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.002,   0.006,  -0.006)  (  0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.164,  -3.556,  14.019)  (  3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 10       (  8.348,  75.919,  23.900)  (  8.353,  75.928,  23.905)  ( 0.06,  0.01,  0.02)
177:     bond    ( 14.575,  43.256,   7.487)  ( 14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
177:     angle   (  0.011,  -0.077,   0.026)  (  0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  4.670,  27.650,   7.696)  (  4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.031,  -0.018,   0.018)  ( -0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.012,  -0.004,   0.006)  ( -0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-10.865,   5.113,   8.667)  (-10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 11       (  8.348, -75.934,  23.900)  (  8.353, -75.928,  23.905)  ( 0.06,  0.01,  0.02)
177:     bond    ( 14.575, -43.264,   7.487)  ( 14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
177:     angle   (  0.011,   0.075,   0.026)  (  0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  4.670, -27.652,   7.696)  (  4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.031,   0.017,   0.018)  ( -0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.012,   0.004,   0.006)  ( -0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-10.865,  -5.113,   8.667)  (-10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 12       ( 47.292, -52.215,  38.542)  ( 47.297, -52.209,  38.549)  ( 0.01,  0.01,  0.02)
177:     bond    ( 26.876, -35.755,  12.130)  ( 26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
177:     angle   (  0.078,   0.012,   0.005)  (  0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 17.157, -20.001,  12.412)  ( 17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.014,  -0.020,  -0.017)  (  0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.002,  -0.006,  -0.006)  (  0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.164,   3.556,  14.019)  (  3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       ( 52.205, -38.554, -47.306)  ( 52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
177:     bond    ( 35.751, -12.136, -26.884)  ( 35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
177:     angle   ( -0.014,  -0.007,  -0.081)  ( -0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( 20.000, -12.414, -17.160)  ( 20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.019,   0.017,  -0.014)  (  0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,   0.005,  -0.002)  (  0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.556, -14.019,  -3.165)  ( -3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 14       (-23.913,   8.348, -75.934)  (-23.905,   8.353, -75.928)  ( 0.03,  0.06,  0.01)
177:     bond    ( -7.494,  14.575, -43.264)  ( -7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
177:     angle   ( -0.029,   0.011,   0.075)  ( -0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -7.698,   4.670, -27.652)  ( -7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.018,  -0.031,   0.017)  ( -0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,  -0.012,   0.004)  ( -0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.667, -10.865,  -5.113)  ( -8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 15       ( 52.205, -38.554,  47.292)  ( 52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
177:     bond    ( 35.751, -12.136,  26.876)  ( 35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
177:     angle   ( -0.014,  -0.007,   0.078)  ( -0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( 20.000, -12.414,  17.157)  ( 20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.019,   0.017,   0.014)  (  0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,   0.005,   0.002)  (  0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.556, -14.019,   3.164)  ( -3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 16       (-70.710,  37.607,  -0.007)  (-70.701,  37.611,  -0.000)  ( 0.01,  0.01,  0.00)
177:     bond    (-34.133,  31.159,  -0.003)  (-34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   ( -0.024,   0.050,  -0.002)  ( -0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-24.743,  15.275,  -0.001)  (-24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.006,   0.020,  -0.000)  (  0.006,   0.021,  -0.000)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.005,   0.010,  -0.000)  (  0.005,   0.011,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-11.821,  -8.908,  -0.000)  (-11.821,  -8.908,  -0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 17       ( 38.542, -47.306, -52.215)  ( 38.549, -47.297, -52.209)  ( 0.02,  0.02,  0.01)
177:     bond    ( 12.130, -26.884, -35.755)  ( 12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
177:     angle   (  0.005,  -0.081,   0.012)  (  0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( 12.412, -17.160, -20.001)  ( 12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.017,  -0.014,  -0.020)  ( -0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,  -0.002,  -0.006)  ( -0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 14.019,  -3.165,   3.556)  ( 14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 18       (-47.306,  52.205,  38.542)  (-47.297,  52.209,  38.549)  ( 0.02,  0.01,  0.02)
177:     bond    (-26.884,  35.751,  12.130)  (-26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
177:     angle   ( -0.081,  -0.014,   0.005)  ( -0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
177:     strbnd  (-17.160,  20.000,  12.412)  (-17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.014,   0.019,  -0.017)  ( -0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.002,   0.006,  -0.006)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.165,  -3.556,  14.019)  ( -3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 19       (-23.913,   8.348,  75.919)  (-23.905,   8.353,  75.928)  ( 0.03,  0.06,  0.01)
177:     bond    ( -7.494,  14.575,  43.256)  ( -7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
177:     angle   ( -0.029,   0.011,  -0.077)  ( -0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -7.698,   4.670,  27.650)  ( -7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.018,  -0.031,  -0.018)  ( -0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,  -0.012,  -0.004)  ( -0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.667, -10.865,   5.113)  ( -8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       ( 23.900,   8.348, -75.934)  ( 23.905,   8.353, -75.928)  ( 0.02,  0.06,  0.01)
177:     bond    (  7.487,  14.575, -43.264)  (  7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
177:     angle   (  0.026,   0.011,   0.075)  (  0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  7.696,   4.670, -27.652)  (  7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.018,  -0.031,   0.017)  (  0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,  -0.012,   0.004)  (  0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.667, -10.865,  -5.113)  (  8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 21       ( 38.542,  47.292, -52.215)  ( 38.549,  47.297, -52.209)  ( 0.02,  0.01,  0.01)
177:     bond    ( 12.130,  26.876, -35.755)  ( 12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
177:     angle   (  0.005,   0.078,   0.012)  (  0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( 12.412,  17.157, -20.001)  ( 12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.017,   0.014,  -0.020)  ( -0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,   0.002,  -0.006)  ( -0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 14.019,   3.164,   3.556)  ( 14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       ( 37.607,  -0.007,  70.694)  ( 37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
177:     bond    ( 31.159,  -0.003,  34.123)  ( 31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
177:     angle   (  0.050,  -0.002,   0.021)  (  0.051,   0.000,   0.022)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( 15.275,  -0.001,  24.741)  ( 15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.020,  -0.000,  -0.007)  (  0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.010,  -0.000,  -0.005)  (  0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.908,  -0.000,  11.821)  ( -8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       ( 52.205,  38.542, -47.306)  ( 52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
177:     bond    ( 35.751,  12.130, -26.884)  ( 35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
177:     angle   ( -0.014,   0.005,  -0.081)  ( -0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( 20.000,  12.412, -17.160)  ( 20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.019,  -0.017,  -0.014)  (  0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,  -0.006,  -0.002)  (  0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.556,  14.019,  -3.165)  ( -3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       ( -8.357, -75.934,  23.900)  ( -8.353, -75.928,  23.905)  ( 0.04,  0.01,  0.02)
177:     bond    (-14.578, -43.264,   7.487)  (-14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
177:     angle   ( -0.013,   0.075,   0.026)  ( -0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -4.671, -27.652,   7.696)  ( -4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.030,   0.017,   0.018)  (  0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.012,   0.004,   0.006)  (  0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.865,  -5.113,   8.667)  ( 10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       (-23.913,  -8.357, -75.934)  (-23.905,  -8.353, -75.928)  ( 0.03,  0.04,  0.01)
177:     bond    ( -7.494, -14.578, -43.264)  ( -7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
177:     angle   ( -0.029,  -0.013,   0.075)  ( -0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -7.698,  -4.671, -27.652)  ( -7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.018,   0.030,   0.017)  ( -0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,   0.012,   0.004)  ( -0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.667,  10.865,  -5.113)  ( -8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       (-47.306, -52.215,  38.542)  (-47.297, -52.209,  38.549)  ( 0.02,  0.01,  0.02)
177:     bond    (-26.884, -35.755,  12.130)  (-26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
177:     angle   ( -0.081,   0.012,   0.005)  ( -0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
177:     strbnd  (-17.160, -20.001,  12.412)  (-17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.014,  -0.020,  -0.017)  ( -0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.002,  -0.006,  -0.006)  ( -0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.165,   3.556,  14.019)  ( -3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 27       ( 52.205,  38.542,  47.292)  ( 52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
177:     bond    ( 35.751,  12.130,  26.876)  ( 35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
177:     angle   ( -0.014,   0.005,   0.078)  ( -0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( 20.000,  12.412,  17.157)  ( 20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.019,  -0.017,   0.014)  (  0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,  -0.006,   0.002)  (  0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.556,  14.019,   3.164)  ( -3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 28       (-70.710, -37.613,  -0.007)  (-70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
177:     bond    (-34.133, -31.161,  -0.003)  (-34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   ( -0.024,  -0.051,  -0.002)  ( -0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-24.743, -15.277,  -0.001)  (-24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.006,  -0.022,  -0.000)  (  0.006,  -0.021,  -0.000)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.005,  -0.010,  -0.000)  (  0.005,  -0.011,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-11.821,   8.908,  -0.000)  (-11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 29       ( 23.900,  -8.357, -75.934)  ( 23.905,  -8.353, -75.928)  ( 0.02,  0.04,  0.01)
177:     bond    (  7.487, -14.578, -43.264)  (  7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
177:     angle   (  0.026,  -0.013,   0.075)  (  0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  7.696,  -4.671, -27.652)  (  7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.018,   0.030,   0.017)  (  0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,   0.012,   0.004)  (  0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.667,  10.865,  -5.113)  (  8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       ( 70.694,  37.607,  -0.007)  ( 70.701,  37.611,   0.000)  ( 0.01,  0.01,  0.00)
177:     bond    ( 34.123,  31.159,  -0.003)  ( 34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   (  0.021,   0.050,  -0.002)  (  0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( 24.741,  15.275,  -0.001)  ( 24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.007,   0.020,  -0.000)  ( -0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.005,   0.010,  -0.000)  ( -0.005,   0.011,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 11.821,  -8.908,  -0.000)  ( 11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 31       ( 37.607,  -0.007, -70.710)  ( 37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
177:     bond    ( 31.159,  -0.003, -34.133)  ( 31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
177:     angle   (  0.050,  -0.002,  -0.024)  (  0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( 15.275,  -0.001, -24.743)  ( 15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.020,  -0.000,   0.006)  (  0.021,  -0.000,   0.006)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.010,  -0.000,   0.005)  (  0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.908,  -0.000, -11.821)  ( -8.908,   0.000, -11.821)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 32       ( -8.357,  75.919,  23.900)  ( -8.353,  75.928,  23.905)  ( 0.04,  0.01,  0.02)
177:     bond    (-14.578,  43.256,   7.487)  (-14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
177:     angle   ( -0.013,  -0.077,   0.026)  ( -0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -4.671,  27.650,   7.696)  ( -4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.030,  -0.018,   0.018)  (  0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.012,  -0.004,   0.006)  (  0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.865,   5.113,   8.667)  ( 10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 33       (-23.913,  -8.357,  75.919)  (-23.905,  -8.353,  75.928)  ( 0.03,  0.04,  0.01)
177:     bond    ( -7.494, -14.578,  43.256)  ( -7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
177:     angle   ( -0.029,  -0.013,  -0.077)  ( -0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -7.698,  -4.671,  27.650)  ( -7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.018,   0.030,  -0.018)  ( -0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,   0.012,  -0.004)  ( -0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.667,  10.865,   5.113)  ( -8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 34       ( 70.694, -37.613,  -0.007)  ( 70.701, -37.611,   0.000)  ( 0.01,  0.01,  0.00)
177:     bond    ( 34.123, -31.161,  -0.003)  ( 34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   (  0.021,  -0.051,  -0.002)  (  0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( 24.741, -15.277,  -0.001)  ( 24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.007,  -0.022,  -0.000)  ( -0.006,  -0.021,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.005,  -0.010,  -0.000)  ( -0.005,  -0.011,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 11.821,   8.908,  -0.000)  ( 11.821,   8.908,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 35       (-52.215,  38.542, -47.306)  (-52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
177:     bond    (-35.755,  12.130, -26.884)  (-35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
177:     angle   (  0.012,   0.005,  -0.081)  (  0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  (-20.001,  12.412, -17.160)  (-20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
177:     torsion ( -0.020,  -0.017,  -0.014)  ( -0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,  -0.006,  -0.002)  ( -0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.556,  14.019,  -3.165)  (  3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 36       (-52.215,  38.542,  47.292)  (-52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
177:     bond    (-35.755,  12.130,  26.876)  (-35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
177:     angle   (  0.012,   0.005,   0.078)  (  0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  (-20.001,  12.412,  17.157)  (-20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
177:     torsion ( -0.020,  -0.017,   0.014)  ( -0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,  -0.006,   0.002)  ( -0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.556,  14.019,   3.164)  (  3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 37       (-37.613,  -0.007,  70.694)  (-37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
177:     bond    (-31.161,  -0.003,  34.123)  (-31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
177:     angle   ( -0.051,  -0.002,   0.021)  ( -0.051,  -0.000,   0.022)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-15.277,  -0.001,  24.741)  (-15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.022,  -0.000,  -0.007)  ( -0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.010,  -0.000,  -0.005)  ( -0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.908,  -0.000,  11.821)  (  8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 38       (-52.215, -38.554, -47.306)  (-52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
177:     bond    (-35.755, -12.136, -26.884)  (-35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
177:     angle   (  0.012,  -0.007,  -0.081)  (  0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  (-20.001, -12.414, -17.160)  (-20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
177:     torsion ( -0.020,   0.017,  -0.014)  ( -0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,   0.005,  -0.002)  ( -0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.556, -14.019,  -3.165)  (  3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 39       (-52.215, -38.554,  47.292)  (-52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
177:     bond    (-35.755, -12.136,  26.876)  (-35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
177:     angle   (  0.012,  -0.007,   0.078)  (  0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
177:     strbnd  (-20.001, -12.414,  17.157)  (-20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
177:     torsion ( -0.020,   0.017,   0.014)  ( -0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.006,   0.005,   0.002)  ( -0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.556, -14.019,   3.164)  (  3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 40       ( 23.900,  -8.357,  75.919)  ( 23.905,  -8.353,  75.928)  ( 0.02,  0.04,  0.01)
177:     bond    (  7.487, -14.578,  43.256)  (  7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
177:     angle   (  0.026,  -0.013,  -0.077)  (  0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  7.696,  -4.671,  27.650)  (  7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.018,   0.030,  -0.018)  (  0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,   0.012,  -0.004)  (  0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.667,  10.865,   5.113)  (  8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 41       (-54.913, -35.524, -24.139)  (-54.905, -35.518, -24.134)  ( 0.02,  0.02,  0.02)
177:     bond    (-26.884, -35.755, -12.136)  (-26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
177:     angle   (  8.310,   2.328,   1.428)  (  8.312,   2.330,   1.429)  ( 0.02,  0.05,  0.09)
177:     strbnd  (-33.157,  -3.794,  -2.400)  (-33.157,  -3.793,  -2.399)  ( 0.00,  0.02,  0.04)
177:     torsion ( -0.015,  -1.854,   2.983)  ( -0.015,  -1.853,   2.983)  ( 0.00,  0.03,  0.01)
177:     oop     ( -0.002,  -0.006,   0.005)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.165,   3.556, -14.019)  ( -3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 42       (  3.504,  53.443,  17.121)  (  3.509,  53.448,  17.126)  ( 0.15,  0.01,  0.02)
177:     bond    (-12.452,  26.530,  26.356)  (-12.448,  26.533,  26.357)  ( 0.04,  0.01,  0.01)
177:     angle   ( -9.977,  -5.385,  -2.072)  ( -9.975,  -5.383,  -2.071)  ( 0.02,  0.04,  0.05)
177:     strbnd  ( 29.601,  21.773,  10.437)  ( 29.601,  21.772,  10.438)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.442,   1.853,  -6.723)  (  1.442,   1.853,  -6.722)  ( 0.02,  0.02,  0.01)
177:     oop     (  0.004,   0.006,  -0.012)  (  0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.113,   8.667, -10.865)  ( -5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 43       ( 47.292, -52.215, -38.554)  ( 47.297, -52.209, -38.549)  ( 0.01,  0.01,  0.01)
177:     bond    ( 26.876, -35.755, -12.136)  ( 26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
177:     angle   (  0.078,   0.012,  -0.007)  (  0.079,   0.013,  -0.006)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 17.157, -20.001, -12.414)  ( 17.159, -20.000, -12.413)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.014,  -0.020,   0.017)  (  0.014,  -0.019,   0.017)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.002,  -0.006,   0.005)  (  0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.164,   3.556, -14.019)  (  3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 44       (  8.348,  75.919, -23.913)  (  8.353,  75.928, -23.905)  ( 0.06,  0.01,  0.03)
177:     bond    ( 14.575,  43.256,  -7.494)  ( 14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
177:     angle   (  0.011,  -0.077,  -0.029)  (  0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  4.670,  27.650,  -7.698)  (  4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.031,  -0.018,  -0.018)  ( -0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.012,  -0.004,  -0.006)  ( -0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-10.865,   5.113,  -8.667)  (-10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 45       ( -8.357,  75.919, -23.913)  ( -8.353,  75.928, -23.905)  ( 0.04,  0.01,  0.03)
177:     bond    (-14.578,  43.256,  -7.494)  (-14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
177:     angle   ( -0.013,  -0.077,  -0.029)  ( -0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -4.671,  27.650,  -7.698)  ( -4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.030,  -0.018,  -0.018)  (  0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.012,  -0.004,  -0.006)  (  0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.865,   5.113,  -8.667)  ( 10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 46       (  8.348, -75.934, -23.913)  (  8.353, -75.928, -23.905)  ( 0.06,  0.01,  0.03)
177:     bond    ( 14.575, -43.264,  -7.494)  ( 14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
177:     angle   (  0.011,   0.075,  -0.029)  (  0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  4.670, -27.652,  -7.698)  (  4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.031,   0.017,  -0.018)  ( -0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.012,   0.004,  -0.006)  ( -0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-10.865,  -5.113,  -8.667)  (-10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 47       (-38.554, -47.306,  52.205)  (-38.549, -47.297,  52.209)  ( 0.01,  0.02,  0.01)
177:     bond    (-12.136, -26.884,  35.751)  (-12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
177:     angle   ( -0.007,  -0.081,  -0.014)  ( -0.006,  -0.079,  -0.013)  ( 0.00,  0.01,  0.00)
177:     strbnd  (-12.414, -17.160,  20.000)  (-12.413, -17.159,  20.000)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.017,  -0.014,   0.019)  (  0.017,  -0.014,   0.019)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.005,  -0.002,   0.006)  (  0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-14.019,  -3.165,  -3.556)  (-14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 48       (-37.613,  -0.007, -70.710)  (-37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
177:     bond    (-31.161,  -0.003, -34.133)  (-31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
177:     angle   ( -0.051,  -0.002,  -0.024)  ( -0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-15.277,  -0.001, -24.743)  (-15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.022,  -0.000,   0.006)  ( -0.021,   0.000,   0.006)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.010,  -0.000,   0.005)  ( -0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.908,  -0.000, -11.821)  (  8.908,  -0.000, -11.821)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 49       ( 23.900,   8.348,  75.919)  ( 23.905,   8.353,  75.928)  ( 0.02,  0.06,  0.01)
177:     bond    (  7.487,  14.575,  43.256)  (  7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
177:     angle   (  0.026,   0.011,  -0.077)  (  0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  7.696,   4.670,  27.650)  (  7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.018,  -0.031,  -0.018)  (  0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.006,  -0.012,  -0.004)  (  0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.667, -10.865,   5.113)  (  8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 50       (-54.913,  35.514, -24.139)  (-54.905,  35.518, -24.134)  ( 0.02,  0.01,  0.02)
177:     bond    (-26.884,  35.751, -12.136)  (-26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
177:     angle   (  8.310,  -2.331,   1.428)  (  8.312,  -2.330,   1.429)  ( 0.02,  0.05,  0.09)
177:     strbnd  (-33.157,   3.792,  -2.400)  (-33.157,   3.793,  -2.399)  ( 0.00,  0.02,  0.04)
177:     torsion ( -0.015,   1.852,   2.983)  ( -0.015,   1.853,   2.983)  ( 0.00,  0.03,  0.01)
177:     oop     ( -0.002,   0.006,   0.005)  ( -0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.165,  -3.556, -14.019)  ( -3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 51       ( -8.357, -75.934, -23.913)  ( -8.353, -75.928, -23.905)  ( 0.04,  0.01,  0.03)
177:     bond    (-14.578, -43.264,  -7.494)  (-14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
177:     angle   ( -0.013,   0.075,  -0.029)  ( -0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -4.671, -27.652,  -7.698)  ( -4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.030,   0.017,  -0.018)  (  0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.012,   0.004,  -0.006)  (  0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.865,  -5.113,  -8.667)  ( 10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 52       ( 37.554, -49.775,  56.098)  ( 37.561, -49.767,  56.102)  ( 0.02,  0.02,  0.01)
177:     bond    ( 12.130, -26.884,  35.751)  ( 12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
177:     angle   (  1.671,   3.010,   0.624)  (  1.672,   3.012,   0.625)  ( 0.08,  0.05,  0.07)
177:     strbnd  ( 11.182, -22.719,  19.528)  ( 11.183, -22.718,  19.529)  ( 0.01,  0.00,  0.00)
177:     torsion ( -1.441,  -0.016,   3.746)  ( -1.441,  -0.015,   3.746)  ( 0.03,  0.00,  0.02)
177:     oop     ( -0.006,  -0.002,   0.006)  ( -0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 14.019,  -3.165,  -3.556)  ( 14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 53       ( 57.517,  33.960,  18.680)  ( 57.526,  33.965,  18.684)  ( 0.02,  0.02,  0.02)
177:     bond    ( 43.256,   7.487,  14.575)  ( 43.260,   7.491,  14.577)  ( 0.01,  0.04,  0.01)
177:     angle   ( -5.272,  -6.052,  -3.749)  ( -5.270,  -6.051,  -3.748)  ( 0.03,  0.03,  0.03)
177:     strbnd  ( 14.441,  25.672,  15.790)  ( 14.443,  25.673,  15.791)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.018,  -1.820,   2.940)  ( -0.018,  -1.820,   2.940)  ( 0.00,  0.02,  0.02)
177:     oop     ( -0.004,   0.006,  -0.012)  ( -0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.113,   8.667, -10.865)  (  5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 54       (-52.445,  20.194,   0.196)  (-52.439,  20.201,   0.199)  ( 0.01,  0.03,  0.06)
177:     bond    (-30.817,  15.080,  19.379)  (-30.813,  15.086,  19.380)  ( 0.01,  0.03,  0.00)
177:     angle   (  5.186,   6.102,   3.821)  (  5.188,   6.103,   3.822)  ( 0.04,  0.03,  0.02)
177:     strbnd  (-26.815, -14.634, -11.154)  (-26.815, -14.635, -11.154)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,   1.831,  -2.952)  (  0.001,   1.831,  -2.951)  ( 0.00,  0.01,  0.02)
177:     oop     ( -0.000,  -0.005,   0.010)  (  0.000,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  11.821,  -8.908)  (  0.000,  11.821,  -8.908)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 55       ( 37.554,  49.762,  56.098)  ( 37.561,  49.767,  56.102)  ( 0.02,  0.01,  0.01)
177:     bond    ( 12.130,  26.876,  35.751)  ( 12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
177:     angle   (  1.671,  -3.013,   0.624)  (  1.672,  -3.012,   0.625)  ( 0.08,  0.05,  0.07)
177:     strbnd  ( 11.182,  22.717,  19.528)  ( 11.183,  22.718,  19.529)  ( 0.01,  0.00,  0.00)
177:     torsion ( -1.441,   0.015,   3.746)  ( -1.441,   0.015,   3.746)  ( 0.03,  0.00,  0.02)
177:     oop     ( -0.006,   0.002,   0.006)  ( -0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 14.019,   3.164,  -3.556)  ( 14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 56       (-38.554,  47.292,  52.205)  (-38.549,  47.297,  52.209)  ( 0.01,  0.01,  0.01)
177:     bond    (-12.136,  26.876,  35.751)  (-12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
177:     angle   ( -0.007,   0.078,  -0.014)  ( -0.006,   0.079,  -0.013)  ( 0.00,  0.01,  0.00)
177:     strbnd  (-12.414,  17.157,  20.000)  (-12.413,  17.159,  20.000)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.017,   0.014,   0.019)  (  0.017,   0.014,   0.019)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.005,   0.002,   0.006)  (  0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (-14.019,   3.164,  -3.556)  (-14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 57       ( 47.292,  52.205, -38.554)  ( 47.297,  52.209, -38.549)  ( 0.01,  0.01,  0.01)
177:     bond    ( 26.876,  35.751, -12.136)  ( 26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
177:     angle   (  0.078,  -0.014,  -0.007)  (  0.079,  -0.013,  -0.006)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 17.157,  20.000, -12.414)  ( 17.159,  20.000, -12.413)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.014,   0.019,   0.017)  (  0.014,   0.019,   0.017)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.002,   0.006,   0.005)  (  0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.164,  -3.556, -14.019)  (  3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 58       (  3.504, -53.454,  17.121)  (  3.509, -53.448,  17.126)  ( 0.15,  0.01,  0.02)
177:     bond    (-12.452, -26.537,  26.356)  (-12.448, -26.533,  26.357)  ( 0.04,  0.01,  0.01)
177:     angle   ( -9.977,   5.381,  -2.072)  ( -9.975,   5.383,  -2.071)  ( 0.02,  0.04,  0.05)
177:     strbnd  ( 29.601, -21.772,  10.437)  ( 29.601, -21.772,  10.438)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.442,  -1.853,  -6.723)  (  1.442,  -1.853,  -6.722)  ( 0.02,  0.02,  0.01)
177:     oop     (  0.004,  -0.006,  -0.012)  (  0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.113,  -8.667, -10.865)  ( -5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 59       ( 57.517, -33.972,  18.680)  ( 57.526, -33.965,  18.684)  ( 0.02,  0.02,  0.02)
177:     bond    ( 43.256,  -7.494,  14.575)  ( 43.260,  -7.491,  14.577)  ( 0.01,  0.04,  0.01)
177:     angle   ( -5.272,   6.049,  -3.749)  ( -5.270,   6.051,  -3.748)  ( 0.03,  0.03,  0.03)
177:     strbnd  ( 14.441, -25.674,  15.790)  ( 14.443, -25.673,  15.791)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.018,   1.819,   2.940)  ( -0.018,   1.820,   2.940)  ( 0.00,  0.02,  0.02)
177:     oop     ( -0.004,  -0.006,  -0.012)  ( -0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.113,  -8.667, -10.865)  (  5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 60       (-52.445, -20.208,   0.196)  (-52.439, -20.201,   0.199)  ( 0.01,  0.04,  0.06)
177:     bond    (-30.817, -15.091,  19.379)  (-30.813, -15.086,  19.380)  ( 0.01,  0.03,  0.00)
177:     angle   (  5.186,  -6.105,   3.821)  (  5.188,  -6.103,   3.822)  ( 0.04,  0.03,  0.02)
177:     strbnd  (-26.815,  14.635, -11.154)  (-26.815,  14.635, -11.154)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,  -1.831,  -2.952)  (  0.001,  -1.831,  -2.951)  ( 0.00,  0.01,  0.02)
177:     oop     ( -0.000,   0.005,   0.010)  (  0.000,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000, -11.821,  -8.908)  ( -0.000, -11.821,  -8.908)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 18 # gradients 
177: ok 19 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( 47.614,  10.906,   0.039)  ( 47.621,  10.915,   0.093)  ( 0.02,  0.08,  0.21)
177:     bond    ( 30.636,  -6.297,   0.167)  ( 30.642,  -6.289,   0.167)  ( 0.02,  0.13,  0.00)
177:     angle   ( 32.862,  34.136,   0.480)  ( 32.865,  34.139,   0.480)  ( 0.01,  0.01,  0.00)
177:     strbnd  (-13.324,  -8.673,  -0.104)  (-13.325,  -8.674,  -0.104)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.006,   0.007,  -0.513)  (  0.006,   0.007,  -0.512)  ( 0.00,  0.00,  0.06)
177:     oop     (  0.002,   0.002,  -0.095)  (  0.001,   0.002,  -0.042)  ( 0.00,  0.00,  0.50)
177:     vdw     ( -4.980, -11.257,   0.121)  ( -4.980, -11.256,   0.121)  ( 0.00,  0.00,  0.00)
177:     electro (  2.412,   2.988,  -0.017)  (  2.412,   2.988,  -0.017)  ( 0.00,  0.00,  0.00)
177:  2       (-60.261, -26.975,  -1.911)  (-60.251, -26.967,  -1.824)  ( 0.02,  0.03,  4.56)
177:     bond    (-30.553,  -9.880,   0.169)  (-30.547,  -9.873,   0.169)  ( 0.02,  0.07,  0.00)
177:     angle   (-46.521, -10.271,   0.396)  (-46.518, -10.269,   0.396)  ( 0.01,  0.02,  0.00)
177:     strbnd  ( 17.496,  -2.306,  -0.133)  ( 17.495,  -2.306,  -0.133)  ( 0.00,  0.03,  0.00)
177:     torsion ( -0.025,   0.014,  -1.717)  ( -0.025,   0.014,  -1.715)  ( 0.00,  0.00,  0.08)
177:     oop     ( -0.003,   0.003,  -0.342)  ( -0.002,   0.003,  -0.256)  ( 0.00,  0.00,  2.94)
177:     vdw     (  1.588, -12.705,  -0.305)  (  1.588, -12.704,  -0.305)  ( 0.01,  0.00,  0.00)
177:     electro ( -2.243,   8.169,   0.021)  ( -2.243,   8.169,   0.021)  ( 0.00,  0.00,  0.00)
177:  3       ( 23.923, -14.162,   0.682)  ( 23.930, -14.154,   0.630)  ( 0.03,  0.06,  3.56)
177:     bond    ( 39.764,   9.492,  -0.196)  ( 39.769,   9.499,  -0.196)  ( 0.01,  0.07,  0.00)
177:     angle   ( -9.543, -33.981,   0.308)  ( -9.540, -33.979,   0.308)  ( 0.03,  0.01,  0.01)
177:     strbnd  ( -7.639,   9.515,  -0.055)  ( -7.639,   9.513,  -0.055)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.006,   0.806,   0.449)  (  0.006,   0.806,   0.450)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.002,  -0.000,   0.198)  (  0.001,  -0.000,   0.145)  ( 0.00,  0.00,  1.06)
177:     vdw     (  9.366,   0.886,   0.003)  (  9.367,   0.886,   0.003)  ( 0.00,  0.00,  0.00)
177:     electro ( -8.034,  -0.879,  -0.025)  ( -8.034,  -0.879,  -0.025)  ( 0.00,  0.00,  0.00)
177:  4       (  0.151,  -4.788,  -0.160)  (  0.160,  -4.776,  -0.094)  ( 0.15,  0.26,  1.05)
177:     bond    (-10.729, -14.628,   0.267)  (-10.721, -14.617,   0.267)  ( 0.08,  0.07,  0.01)
177:     angle   ( 32.474,  51.618,  -0.713)  ( 32.476,  51.622,  -0.713)  ( 0.01,  0.01,  0.01)
177:     strbnd  (-21.280, -41.834,   0.455)  (-21.281, -41.837,   0.455)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.002,   0.006,   0.844)  (  0.002,   0.006,   0.845)  ( 0.00,  0.00,  0.09)
177:     oop     ( -0.003,  -0.003,  -0.380)  ( -0.002,  -0.003,  -0.316)  ( 0.00,  0.00,  2.45)
177:     vdw     (  7.224,  10.517,  -0.632)  (  7.224,  10.517,  -0.632)  ( 0.00,  0.00,  0.00)
177:     electro ( -7.539, -10.463,  -0.002)  ( -7.539, -10.463,  -0.002)  ( 0.00,  0.00,  0.00)
177:  5       ( 32.855,  54.085,  -1.761)  ( 32.859,  54.093,  -1.789)  ( 0.01,  0.01,  1.56)
177:     bond    ( 14.954,  25.801,  -0.346)  ( 14.956,  25.809,  -0.346)  ( 0.02,  0.03,  0.00)
177:     angle   ( -0.954,   0.553,   0.090)  ( -0.953,   0.554,   0.090)  ( 0.07,  0.01,  0.00)
177:     strbnd  ( 15.993,  27.797,  -0.361)  ( 15.993,  27.797,  -0.362)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,   0.000,   0.055)  (  0.001,   0.000,   0.055)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,   0.002,   0.182)  (  0.001,   0.001,   0.155)  ( 0.00,  0.00,  0.50)
177:     vdw     (  7.016,   4.718,  -1.422)  (  7.016,   4.718,  -1.422)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.154,  -4.786,   0.041)  ( -4.154,  -4.786,   0.041)  ( 0.00,  0.00,  0.00)
177:  6       ( -0.214,   8.915,  -1.332)  ( -0.206,   8.924,  -1.372)  ( 0.18,  0.09,  3.00)
177:     bond    (-14.177,  30.083,  -0.172)  (-14.170,  30.088,  -0.172)  ( 0.05,  0.02,  0.00)
177:     angle   (  8.442, -39.763,   0.869)  (  8.444, -39.760,   0.869)  ( 0.03,  0.01,  0.03)
177:     strbnd  ( 11.495,   9.907,  -0.096)  ( 11.495,   9.907,  -0.096)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.474,  -0.285,  -2.183)  ( -0.474,  -0.285,  -2.182)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.000,   0.000,   0.253)  (  0.000,   0.000,   0.212)  ( 0.00,  0.00,  1.05)
177:     vdw     ( -6.893,  11.755,   0.015)  ( -6.893,  11.755,   0.015)  ( 0.00,  0.00,  0.00)
177:     electro (  1.393,  -2.782,  -0.018)  (  1.393,  -2.782,  -0.018)  ( 0.00,  0.00,  0.00)
177:  7       ( -6.401,  -0.928,  -0.439)  ( -6.387,  -0.919,  -0.348)  ( 0.22,  0.80,  4.02)
177:     bond    ( 14.169,   8.086,   0.243)  ( 14.182,   8.092,   0.243)  ( 0.09,  0.08,  0.01)
177:     angle   (-42.998, -14.458,  -0.436)  (-42.996, -14.456,  -0.436)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( 11.153,   0.471,   0.082)  ( 11.151,   0.470,   0.082)  ( 0.01,  0.04,  0.00)
177:     torsion ( -0.007,  -0.000,   0.644)  ( -0.007,  -0.000,   0.645)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.002,  -0.000,  -0.666)  (  0.002,   0.000,  -0.576)  ( 0.00,  0.00,  6.05)
177:     vdw     ( -7.050,  -0.891,  -0.311)  ( -7.050,  -0.891,  -0.311)  ( 0.00,  0.01,  0.00)
177:     electro ( 18.330,   5.865,   0.006)  ( 18.330,   5.865,   0.006)  ( 0.00,  0.00,  0.00)
177:  8       (-50.729,  -2.197,  -0.504)  (-50.718,  -2.195,  -0.571)  ( 0.02,  0.05,  3.40)
177:     bond    (-33.079,   0.439,  -0.219)  (-33.068,   0.439,  -0.220)  ( 0.03,  0.01,  0.00)
177:     angle   (  0.010,   0.811,   0.102)  (  0.010,   0.812,   0.102)  ( 0.00,  0.09,  0.00)
177:     strbnd  (-14.392,  -0.434,  -0.079)  (-14.392,  -0.434,  -0.079)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,  -0.000,  -0.092)  (  0.001,  -0.000,  -0.092)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.002,  -0.000,   0.361)  ( -0.002,  -0.000,   0.293)  ( 0.00,  0.00,  2.44)
177:     vdw     ( -5.725,  -2.617,  -0.509)  ( -5.725,  -2.617,  -0.509)  ( 0.00,  0.01,  0.00)
177:     electro (  2.458,  -0.395,  -0.067)  (  2.458,  -0.395,  -0.067)  ( 0.00,  0.00,  0.00)
177:  9       (-32.034, -12.171,  -0.517)  (-32.026, -12.162,  -0.554)  ( 0.03,  0.07,  1.89)
177:     bond    (-31.682, -14.421,  -0.455)  (-31.675, -14.415,  -0.455)  ( 0.02,  0.04,  0.00)
177:     angle   (  5.174,   7.290,   0.065)  (  5.177,   7.293,   0.066)  ( 0.05,  0.03,  0.00)
177:     strbnd  ( -6.582,  -2.350,  -0.240)  ( -6.583,  -2.351,  -0.240)  ( 0.02,  0.05,  0.00)
177:     torsion (  0.000,   0.005,  -0.080)  (  0.000,   0.005,  -0.079)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.001,  -0.003,   0.207)  ( -0.000,  -0.002,   0.169)  ( 0.00,  0.00,  0.78)
177:     vdw     (  1.438,  -3.381,  -0.019)  (  1.438,  -3.381,  -0.019)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.381,   0.689,   0.005)  ( -0.381,   0.689,   0.005)  ( 0.00,  0.00,  0.00)
177: 10       (-11.709, -23.421,  -0.019)  (-11.704, -23.415,  -0.082)  ( 0.04,  0.03,  0.12)
177:     bond    (-32.483, -35.767,  -0.526)  (-32.480, -35.763,  -0.526)  ( 0.01,  0.01,  0.01)
177:     angle   ( 26.625,   6.434,  -0.197)  ( 26.627,   6.434,  -0.197)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -1.629,   3.816,   0.065)  ( -1.629,   3.816,   0.065)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.008,  -0.005,   0.486)  (  0.008,  -0.005,   0.486)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.002,  -0.005,   0.355)  (  0.001,  -0.005,   0.291)  ( 0.00,  0.00,  2.26)
177:     vdw     ( -3.198,  -3.532,  -0.228)  ( -3.198,  -3.531,  -0.228)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.035,   5.639,   0.027)  ( -1.035,   5.639,   0.027)  ( 0.00,  0.00,  0.00)
177: 11       ( 35.827,   8.607,  -0.338)  ( 35.834,   8.614,  -0.245)  ( 0.02,  0.08,  3.13)
177:     bond    ( 44.495,  11.383,   0.093)  ( 44.502,  11.390,   0.093)  ( 0.01,  0.06,  0.00)
177:     angle   ( -0.477,  -4.825,  -0.116)  ( -0.475,  -4.823,  -0.116)  ( 0.09,  0.05,  0.00)
177:     strbnd  (-12.211,   2.309,   0.059)  (-12.213,   2.308,   0.059)  ( 0.02,  0.02,  0.00)
177:     torsion ( -0.001,  -0.001,   0.053)  ( -0.001,  -0.001,   0.054)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.010,  -0.488)  ( -0.000,   0.008,  -0.397)  ( 0.00,  0.00,  4.49)
177:     vdw     (  4.096,  -0.193,   0.062)  (  4.096,  -0.193,   0.062)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.073,  -0.076,  -0.001)  ( -0.073,  -0.076,  -0.001)  ( 0.00,  0.00,  0.00)
177: 12       ( 16.696,   4.159,   1.198)  ( 16.701,   4.165,   1.188)  ( 0.03,  0.16,  0.77)
177:     bond    ( 20.776,   7.319,   0.909)  ( 20.781,   7.324,   0.914)  ( 0.02,  0.06,  0.43)
177:     angle   (-13.754,  -4.812,  -0.102)  (-13.752,  -4.809,  -0.101)  ( 0.01,  0.04,  0.02)
177:     strbnd  ( 12.427,   3.908,   0.157)  ( 12.424,   3.908,   0.156)  ( 0.02,  0.02,  0.01)
177:     torsion ( -0.002,  -0.005,   0.222)  ( -0.002,  -0.005,   0.222)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.001,  -0.001,   0.057)  ( -0.000,  -0.001,   0.042)  ( 0.00,  0.00,  0.09)
177:     vdw     ( -1.953,  -4.180,  -0.065)  ( -1.953,  -4.180,  -0.065)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.796,   1.928,   0.020)  ( -0.796,   1.928,   0.020)  ( 0.00,  0.00,  0.00)
177: 13       (-13.749,  -4.822,   1.563)  (-13.744,  -4.816,   1.558)  ( 0.03,  0.14,  0.30)
177:     bond    (-22.923,  -0.335,   0.145)  (-22.919,  -0.330,   0.150)  ( 0.02,  0.16,  0.07)
177:     angle   (  7.410,   2.850,  -0.382)  (  7.411,   2.852,  -0.380)  ( 0.03,  0.07,  0.06)
177:     strbnd  (  0.558,  -0.831,  -0.003)  (  0.557,  -0.831,  -0.003)  ( 0.07,  0.03,  0.00)
177:     torsion (  0.058,  -4.145,   1.734)  (  0.058,  -4.145,   1.735)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.001,   0.000,   0.059)  (  0.001,   0.000,   0.049)  ( 0.00,  0.00,  0.06)
177:     vdw     (  6.098,  -3.967,   0.005)  (  6.098,  -3.967,   0.005)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.950,   1.606,   0.003)  ( -4.950,   1.606,   0.003)  ( 0.00,  0.00,  0.00)
177: 14       (  9.601, -11.203,   4.735)  (  9.607, -11.198,   4.730)  ( 0.06,  0.04,  0.10)
177:     bond    ( 11.197, -20.692,  -0.065)  ( 11.201, -20.688,  -0.061)  ( 0.04,  0.02,  0.03)
177:     angle   ( -3.458,   7.005,  -0.620)  ( -3.456,   7.007,  -0.619)  ( 0.06,  0.03,  0.09)
177:     strbnd  (  0.022,   0.227,   0.010)  (  0.021,   0.226,   0.009)  ( 0.00,  0.02,  0.00)
177:     torsion (  2.428,   1.397,   5.331)  (  2.428,   1.397,   5.331)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.001,   0.069)  ( -0.000,   0.001,   0.058)  ( 0.00,  0.00,  0.07)
177:     vdw     ( -4.679,   7.355,  -0.008)  ( -4.679,   7.355,  -0.008)  ( 0.00,  0.00,  0.00)
177:     electro (  4.091,  -6.495,   0.019)  (  4.091,  -6.495,   0.019)  ( 0.00,  0.00,  0.00)
177: 15       ( -0.465,   5.538,   0.483)  ( -0.465,   5.543,   0.432)  ( 0.04,  0.09,  2.45)
177:     bond    ( -0.036,   7.926,   0.175)  ( -0.036,   7.930,   0.175)  ( 0.00,  0.05,  0.00)
177:     angle   ( -5.802,  -0.026,  -0.014)  ( -5.802,  -0.026,  -0.014)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  3.604,  -0.129,  -0.013)  (  3.604,  -0.129,  -0.013)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,  -0.003,   0.136)  (  0.001,  -0.003,   0.136)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,  -0.005,   0.223)  (  0.000,  -0.004,   0.172)  ( 0.00,  0.00,  1.13)
177:     vdw     (  1.248,  -1.217,  -0.011)  (  1.248,  -1.217,  -0.011)  ( 0.00,  0.00,  0.00)
177:     electro (  0.520,  -1.008,  -0.012)  (  0.520,  -1.008,  -0.012)  ( 0.00,  0.00,  0.00)
177: 16       (  3.795,  -2.075,  -0.170)  (  3.796,  -2.072,  -0.169)  ( 0.02,  0.17,  0.01)
177:     bond    ( -0.033,  -1.994,  -0.084)  ( -0.033,  -1.991,  -0.084)  ( 0.00,  0.17,  0.00)
177:     angle   (  5.569,  -0.090,  -0.056)  (  5.570,  -0.090,  -0.056)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  2.049,   1.116,   0.067)  (  2.049,   1.116,   0.067)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,   0.000,  -0.009)  (  0.000,   0.000,  -0.009)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.791,  -1.108,  -0.087)  ( -3.791,  -1.108,  -0.087)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 17       (  3.734,   1.697,   3.317)  (  3.735,   1.697,   3.320)  ( 0.03,  0.05,  0.08)
177:     bond    ( -0.653,   0.424,   1.150)  ( -0.653,   0.424,   1.152)  ( 0.05,  0.01,  0.21)
177:     angle   (  4.116,   2.173,   1.530)  (  4.116,   2.174,   1.530)  ( 0.01,  0.02,  0.01)
177:     strbnd  (  2.185,   0.599,  -0.219)  (  2.185,   0.599,  -0.219)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.003,  -0.008,   0.004)  (  0.003,  -0.008,   0.004)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.916,  -1.492,   0.852)  ( -1.916,  -1.492,   0.852)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 18       (  3.357,   1.877,  -3.735)  (  3.358,   1.877,  -3.733)  ( 0.04,  0.05,  0.07)
177:     bond    ( -0.951,   0.766,  -1.640)  ( -0.950,   0.766,  -1.638)  ( 0.07,  0.04,  0.14)
177:     angle   (  4.217,   2.283,  -1.378)  (  4.217,   2.284,  -1.377)  ( 0.01,  0.02,  0.01)
177:     strbnd  (  2.195,   0.574,   0.319)  (  2.195,   0.574,   0.319)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.003,   0.007,   0.005)  ( -0.003,   0.007,   0.005)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.102,  -1.754,  -1.042)  ( -2.101,  -1.754,  -1.042)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 19       ( -0.949,   1.850,  -2.966)  ( -0.948,   1.851,  -2.963)  ( 0.08,  0.03,  0.10)
177:     bond    (  0.687,   0.547,  -1.969)  (  0.688,   0.547,  -1.967)  ( 0.02,  0.01,  0.15)
177:     angle   ( -2.117,   0.190,  -0.687)  ( -2.116,   0.190,  -0.687)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -1.351,  -0.031,   0.069)  ( -1.351,  -0.031,   0.069)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.009,   1.445,   0.399)  ( -0.009,   1.445,   0.399)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.840,  -0.300,  -0.777)  (  1.840,  -0.300,  -0.777)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       (  3.215,  -1.417,   1.360)  (  3.216,  -1.414,   1.361)  ( 0.03,  0.21,  0.04)
177:     bond    (  0.757,  -1.956,   0.504)  (  0.757,  -1.953,   0.504)  ( 0.03,  0.15,  0.01)
177:     angle   ( -2.944,  -1.085,   0.217)  ( -2.943,  -1.085,   0.218)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -1.362,   0.055,  -0.006)  ( -1.362,   0.055,  -0.006)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.012,  -0.046)  ( -0.000,  -0.012,  -0.046)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.765,   1.580,   0.691)  (  6.765,   1.580,   0.691)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 21       (  1.306,   2.523,   1.573)  (  1.307,   2.525,   1.575)  ( 0.07,  0.07,  0.12)
177:     bond    (  0.773,   1.536,   1.536)  (  0.773,   1.538,   1.538)  ( 0.03,  0.10,  0.10)
177:     angle   ( -2.380,   0.642,   0.554)  ( -2.380,   0.642,   0.554)  ( 0.02,  0.02,  0.01)
177:     strbnd  ( -1.349,  -0.045,  -0.017)  ( -1.349,  -0.045,  -0.017)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.038,   1.895,  -1.876)  ( -0.038,   1.895,  -1.876)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.301,  -1.506,   1.375)  (  4.301,  -1.506,   1.375)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       ( -3.084,   0.782,   1.224)  ( -3.081,   0.783,   1.225)  ( 0.08,  0.05,  0.13)
177:     bond    ( -1.870,  -0.110,   1.417)  ( -1.868,  -0.110,   1.418)  ( 0.12,  0.00,  0.09)
177:     angle   (  0.520,  -2.593,   0.484)  (  0.520,  -2.593,   0.484)  ( 0.01,  0.02,  0.01)
177:     strbnd  (  0.654,  -1.205,   0.011)  (  0.654,  -1.205,   0.011)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.641,  -0.927,  -2.234)  ( -1.641,  -0.927,  -2.234)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.746,   5.617,   1.547)  ( -0.746,   5.617,   1.547)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       ( -2.117,   4.656,   0.658)  ( -2.116,   4.658,   0.658)  ( 0.09,  0.05,  0.05)
177:     bond    (  1.483,   1.776,   0.765)  (  1.485,   1.778,   0.766)  ( 0.09,  0.10,  0.03)
177:     angle   (  2.624,  -2.307,   0.268)  (  2.625,  -2.307,   0.268)  ( 0.01,  0.01,  0.01)
177:     strbnd  (  0.634,  -1.241,  -0.006)  (  0.634,  -1.242,  -0.006)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.579,   0.295,  -1.806)  (  0.579,   0.295,  -1.806)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -7.437,   6.134,   1.436)  ( -7.437,   6.134,   1.436)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       ( -0.478,  -1.559,  -3.030)  ( -0.478,  -1.559,  -3.027)  ( 0.03,  0.04,  0.10)
177:     bond    ( -0.615,   0.404,  -1.895)  ( -0.615,   0.404,  -1.892)  ( 0.02,  0.01,  0.16)
177:     angle   (  0.873,  -1.806,  -0.669)  (  0.873,  -1.806,  -0.669)  ( 0.04,  0.03,  0.01)
177:     strbnd  (  0.665,  -1.206,   0.041)  (  0.665,  -1.206,   0.041)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.889,  -0.485,   0.185)  ( -0.890,  -0.485,   0.185)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.512,   1.534,  -0.692)  ( -0.512,   1.534,  -0.692)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 20 # gradients 
177: ok 21 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 10 # gradients 
178: ok 11 # energy 
178: ----------------------------------------------------------------------------------------
178:                                                                                         
178:   VALIDATE GRADIENTS : surdox02.xyz
178:                                                                                         
178:                                                                                         
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (  0.013,  -0.116,  -0.042)  (  0.127,  -0.099,  -0.306)  ( 0.15,  0.20,  1.11)
178:     bond    (  2.996,  -0.181,   5.906)  (  3.000,  -0.170,   5.908)  ( 0.14,  0.21,  0.03)
178:     angle   ( -0.615,   0.021,  -2.208)  ( -0.614,   0.022,  -2.207)  ( 0.09,  0.00,  0.06)
178:     strbnd  ( 31.994,  -0.001,  12.086)  ( 31.994,  -0.002,  12.085)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.329,   0.014,  -0.811)  (  0.329,   0.014,  -0.811)  ( 0.00,  0.00,  0.01)
178:     oop     ( -0.655,  -0.027,   1.614)  ( -0.546,  -0.023,   1.348)  ( 7.08,  0.01, 16.52)
178:     vdw     ( -1.367,   0.002,  -0.677)  ( -1.367,   0.002,  -0.677)  ( 0.00,  0.00,  0.00)
178:     electro (-32.669,   0.057, -15.952)  (-32.669,   0.057, -15.952)  ( 0.00,  0.00,  0.00)
178:  2       (  4.052,   0.153,  -9.314)  (  3.390,   0.134,  -7.713)  (16.34,  0.28, 17.19)
178:     bond    (-24.654,  -0.013,  -8.873)  (-24.650,  -0.006,  -8.872)  ( 0.02,  0.01,  0.01)
178:     angle   ( 26.151,  -0.059,  14.095)  ( 26.154,  -0.057,  14.095)  ( 0.01,  0.01,  0.00)
178:     strbnd  ( -2.586,   0.026,  -2.810)  ( -2.588,   0.025,  -2.810)  ( 0.08,  0.00,  0.00)
178:     torsion (  1.175,   0.034,  -1.921)  (  1.175,   0.034,  -1.921)  ( 0.01,  0.00,  0.02)
178:     oop     (  3.967,   0.165,  -9.805)  (  3.300,   0.138,  -8.205)  (16.80,  0.44, 16.32)
178:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  3       ( -8.105,  -1.860,  15.243)  ( -7.466,  -1.785,  13.960)  ( 7.89,  4.01,  8.42)
178:     bond    (  3.669,  20.808,   1.591)  (  3.675,  20.815,   1.593)  ( 0.15,  0.03,  0.11)
178:     angle   (-16.152,   8.087,  -6.190)  (-16.150,   8.089,  -6.189)  ( 0.01,  0.02,  0.01)
178:     strbnd  (-15.060, -18.986,  -5.342)  (-15.060, -18.986,  -5.342)  ( 0.00,  0.00,  0.00)
178:     torsion ( -4.535,   0.373,  10.304)  ( -4.535,   0.373,  10.304)  ( 0.00,  0.00,  0.00)
178:     oop     ( -4.284,  -0.802,   8.672)  ( -3.652,  -0.736,   7.386)  (14.76,  5.30, 14.82)
178:     vdw     (  4.304,  -0.146,   0.652)  (  4.304,  -0.146,   0.652)  ( 0.00,  0.00,  0.00)
178:     electro ( 23.952, -11.196,   5.555)  ( 23.952, -11.196,   5.555)  ( 0.00,  0.00,  0.00)
178:  4       (  0.007,   0.012,  -0.004)  (  0.009,   0.018,  -0.003)  ( 0.00,  0.01,  0.00)
178:     bond    (  1.917,   4.448,  -1.522)  (  1.918,   4.454,  -1.521)  ( 0.06,  0.13,  0.05)
178:     angle   (  0.657,  -0.203,   0.234)  (  0.657,  -0.203,   0.234)  ( 0.04,  0.00,  0.01)
178:     strbnd  (  0.365,   0.126,   0.367)  (  0.365,   0.126,   0.367)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -4.311,  -0.150,  -0.658)  ( -4.311,  -0.150,  -0.658)  ( 0.00,  0.00,  0.00)
178:     electro (  1.379,  -4.208,   1.576)  (  1.379,  -4.208,   1.576)  ( 0.00,  0.00,  0.00)
178:  5       (  3.820,   0.567,  -5.159)  (  3.587,   0.555,  -4.838)  ( 6.10,  0.68,  6.22)
178:     bond    (  2.147,   0.095,   1.594)  (  2.150,   0.095,   1.596)  ( 0.15,  0.00,  0.11)
178:     angle   (  0.148,  -1.267,  -0.124)  (  0.148,  -1.266,  -0.124)  ( 0.00,  0.05,  0.00)
178:     strbnd  (  0.091,   0.467,  -0.005)  (  0.091,   0.467,  -0.005)  ( 0.00,  0.00,  0.00)
178:     torsion (  2.813,  -0.764,  -3.745)  (  2.813,  -0.764,  -3.745)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.624,   0.265,  -2.204)  (  1.388,   0.253,  -1.885)  (14.55,  0.34, 14.48)
178:     vdw     ( -0.057,   0.074,  -0.025)  ( -0.057,   0.074,  -0.025)  ( 0.00,  0.00,  0.00)
178:     electro ( -2.946,   1.696,  -0.650)  ( -2.946,   1.696,  -0.650)  ( 0.00,  0.00,  0.00)
178:  6       (  2.250,   1.416,  -5.425)  (  2.135,   1.350,  -5.124)  ( 5.11,  4.70,  5.54)
178:     bond    (  2.991,  -4.569,   0.099)  (  2.993,  -4.566,   0.099)  ( 0.05,  0.07,  0.00)
178:     angle   (  2.530,   1.664,   0.255)  (  2.530,   1.664,   0.256)  ( 0.02,  0.01,  0.00)
178:     strbnd  ( -0.003,   0.684,   0.085)  ( -0.003,   0.684,   0.085)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.969,   0.522,  -5.191)  (  0.969,   0.522,  -5.191)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.003,   0.606,  -2.371)  (  0.886,   0.536,  -2.071)  (11.64,  4.24, 12.66)
178:     vdw     (  0.745,   0.835,   0.378)  (  0.745,   0.835,   0.378)  ( 0.00,  0.00,  0.00)
178:     electro ( -5.985,   1.676,   1.320)  ( -5.985,   1.676,   1.320)  ( 0.00,  0.00,  0.00)
178:  7       ( -0.036,   0.074,   0.033)  ( -0.035,   0.080,   0.034)  ( 0.01,  0.04,  0.00)
178:     bond    (  1.920,  -4.294,  -1.614)  (  1.922,  -4.288,  -1.613)  ( 0.06,  0.13,  0.05)
178:     angle   (  0.658,   0.204,   0.241)  (  0.659,   0.204,   0.242)  ( 0.04,  0.00,  0.01)
178:     strbnd  (  0.365,  -0.134,   0.362)  (  0.365,  -0.134,   0.361)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -4.313,   0.123,  -0.654)  ( -4.313,   0.123,  -0.654)  ( 0.00,  0.00,  0.00)
178:     electro (  1.333,   4.175,   1.698)  (  1.333,   4.175,   1.698)  ( 0.00,  0.00,  0.00)
178:  8       ( -8.181,   1.288,  15.260)  ( -7.542,   1.275,  13.976)  ( 7.82,  1.04,  8.42)
178:     bond    (  3.840, -20.844,   0.957)  (  3.846, -20.837,   0.959)  ( 0.14,  0.03,  0.17)
178:     angle   (-16.070,  -8.077,  -6.428)  (-16.068,  -8.075,  -6.428)  ( 0.01,  0.02,  0.01)
178:     strbnd  (-15.264,  18.971,  -4.788)  (-15.265,  18.971,  -4.788)  ( 0.00,  0.00,  0.00)
178:     torsion ( -4.529,  -0.723,  10.288)  ( -4.529,  -0.723,  10.288)  ( 0.00,  0.00,  0.00)
178:     oop     ( -4.291,   0.502,   8.691)  ( -3.658,   0.480,   7.404)  (14.75,  1.09, 14.81)
178:     vdw     (  4.302,   0.173,   0.657)  (  4.302,   0.173,   0.657)  ( 0.00,  0.00,  0.00)
178:     electro ( 23.831,  11.286,   5.883)  ( 23.831,  11.286,   5.883)  ( 0.00,  0.00,  0.00)
178:  9       (  3.858,  -0.382,  -5.148)  (  3.625,  -0.380,  -4.827)  ( 6.04,  0.06,  6.24)
178:     bond    (  2.181,  -0.120,   1.616)  (  2.185,  -0.120,   1.617)  ( 0.14,  0.00,  0.11)
178:     angle   (  0.134,   1.267,  -0.087)  (  0.134,   1.267,  -0.087)  ( 0.00,  0.05,  0.00)
178:     strbnd  (  0.096,  -0.466,  -0.019)  (  0.096,  -0.466,  -0.019)  ( 0.00,  0.00,  0.00)
178:     torsion (  2.804,   0.904,  -3.721)  (  2.804,   0.904,  -3.721)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.627,  -0.183,  -2.211)  (  1.390,  -0.183,  -1.891)  (14.53,  0.02, 14.45)
178:     vdw     ( -0.056,  -0.074,  -0.027)  ( -0.056,  -0.074,  -0.027)  ( 0.00,  0.00,  0.00)
178:     electro ( -2.928,  -1.708,  -0.700)  ( -2.928,  -1.708,  -0.700)  ( 0.00,  0.00,  0.00)
178: 10       (  2.285,  -1.211,  -5.461)  (  2.169,  -1.148,  -5.158)  ( 5.07,  5.24,  5.54)
178:     bond    (  2.961,   4.619,   0.235)  (  2.962,   4.623,   0.235)  ( 0.05,  0.07,  0.00)
178:     angle   (  2.550,  -1.645,   0.209)  (  2.551,  -1.645,   0.209)  ( 0.02,  0.01,  0.00)
178:     strbnd  (  0.004,  -0.685,   0.065)  (  0.004,  -0.685,   0.065)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.973,  -0.360,  -5.204)  (  0.973,  -0.360,  -5.204)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.009,  -0.526,  -2.388)  (  0.892,  -0.466,  -2.086)  (11.64,  3.15, 12.65)
178:     vdw     (  0.753,  -0.837,   0.354)  (  0.753,  -0.837,   0.354)  ( 0.00,  0.00,  0.00)
178:     electro ( -5.967,  -1.778,   1.269)  ( -5.967,  -1.778,   1.269)  ( 0.00,  0.00,  0.00)
178: ok 12 # gradients 
178: ok 13 # energy 
178: ----------------------------------------------------------------------------------------
178:                                                                                         
178:   VALIDATE GRADIENTS : valwou.xyz
178:                                                                                         
178:                                                                                         
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       ( -0.011,   0.008,  -0.002)  ( -0.007,   0.009,   0.001)  ( 0.00,  0.00,  0.00)
178:     bond    (-15.066,   0.590,  13.579)  (-15.064,   0.590,  13.581)  ( 0.02,  0.02,  0.01)
178:     angle   (  8.215,  21.265,  -1.187)  (  8.215,  21.265,  -1.186)  ( 0.01,  0.00,  0.09)
178:     strbnd  ( 13.283,   1.537, -11.705)  ( 13.283,   1.537, -11.705)  ( 0.00,  0.01,  0.00)
178:     torsion (  0.469,  -0.818,  -0.491)  (  0.469,  -0.818,  -0.491)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (-16.349, -14.076,  -9.889)  (-16.349, -14.076,  -9.889)  ( 0.00,  0.00,  0.00)
178:     electro (  9.439,  -8.489,   9.691)  (  9.439,  -8.489,   9.691)  ( 0.00,  0.00,  0.00)
178:  2       (  0.049,  -0.041,  -0.050)  (  0.056,  -0.038,  -0.044)  ( 0.03,  0.01,  0.03)
178:     bond    ( -1.989,  -5.973,   5.396)  ( -1.982,  -5.971,   5.401)  ( 0.31,  0.05,  0.09)
178:     angle   ( 12.171,  18.575,  -1.290)  ( 12.172,  18.576,  -1.289)  ( 0.01,  0.01,  0.12)
178:     strbnd  ( -6.382, -16.381,   1.658)  ( -6.383, -16.382,   1.658)  ( 0.01,  0.00,  0.03)
178:     torsion (  1.307,  -0.613,  -0.923)  (  1.307,  -0.613,  -0.923)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -4.101,   3.444,  -3.337)  ( -4.101,   3.444,  -3.336)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.957,   0.907,  -1.554)  ( -0.957,   0.907,  -1.554)  ( 0.00,  0.00,  0.00)
178:  3       ( -0.003,   0.017,   0.026)  ( -0.002,   0.019,   0.030)  ( 0.00,  0.00,  0.01)
178:     bond    (  0.886,  -2.327,  -4.505)  (  0.886,  -2.325,  -4.501)  ( 0.02,  0.05,  0.10)
178:     angle   ( -9.163,  -7.934,   2.295)  ( -9.162,  -7.934,   2.295)  ( 0.01,  0.00,  0.00)
178:     strbnd  (  0.035,  -1.201,  -0.650)  (  0.035,  -1.201,  -0.650)  ( 0.00,  0.01,  0.01)
178:     torsion ( -1.075,   0.327,  -0.381)  ( -1.075,   0.327,  -0.381)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.954,   9.054,  -3.466)  ( -2.954,   9.054,  -3.466)  ( 0.00,  0.00,  0.00)
178:     electro ( 12.267,   2.097,   6.733)  ( 12.267,   2.097,   6.733)  ( 0.00,  0.00,  0.00)
178:  4       ( -0.066,   0.014,   0.013)  ( -0.060,   0.015,   0.014)  ( 0.04,  0.00,  0.00)
178:     bond    ( -1.807,   0.231,   0.350)  ( -1.802,   0.231,   0.350)  ( 0.32,  0.00,  0.01)
178:     angle   ( -2.264, -11.394,  -4.125)  ( -2.264, -11.394,  -4.124)  ( 0.00,  0.01,  0.01)
178:     strbnd  ( -1.121,  -0.534,   0.432)  ( -1.121,  -0.534,   0.432)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.219,   0.087,   1.070)  (  0.219,   0.087,   1.070)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -5.300,   9.953, -11.232)  ( -5.300,   9.953, -11.232)  ( 0.00,  0.00,  0.00)
178:     electro ( 10.207,   1.672,  13.519)  ( 10.207,   1.672,  13.519)  ( 0.00,  0.00,  0.00)
178:  5       (  0.024,  -0.012,   0.001)  (  0.031,  -0.008,   0.006)  ( 0.02,  0.00,  0.00)
178:     bond    ( -2.431,  13.799,  -9.128)  ( -2.426,  13.802,  -9.124)  ( 0.21,  0.02,  0.05)
178:     angle   (-13.514, -12.442,   3.433)  (-13.512, -12.439,   3.435)  ( 0.02,  0.02,  0.07)
178:     strbnd  ( 10.215,   7.073,   7.282)  ( 10.214,   7.072,   7.280)  ( 0.01,  0.02,  0.02)
178:     torsion ( -0.178,  -0.134,  -0.164)  ( -0.178,  -0.134,  -0.164)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -3.406,   1.106,   0.053)  ( -3.406,   1.106,   0.053)  ( 0.00,  0.00,  0.00)
178:     electro (  9.338,  -9.414,  -1.474)  (  9.338,  -9.414,  -1.474)  ( 0.00,  0.00,  0.00)
178:  6       ( -0.012,   0.002,   0.003)  ( -0.008,   0.003,   0.004)  ( 0.01,  0.00,  0.00)
178:     bond    (  1.492,  -0.032,   0.115)  (  1.496,  -0.032,   0.116)  ( 0.29,  0.00,  0.00)
178:     angle   (  0.143,   3.198,  -0.968)  (  0.143,   3.199,  -0.968)  ( 0.00,  0.02,  0.08)
178:     strbnd  (  0.299,   1.855,  -1.309)  (  0.299,   1.855,  -1.309)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.068,   0.501,   1.024)  ( -0.068,   0.501,   1.024)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.080,  -0.124,  -0.022)  (  0.080,  -0.124,  -0.022)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.958,  -5.395,   1.163)  ( -1.958,  -5.395,   1.163)  ( 0.00,  0.00,  0.00)
178:  7       ( -0.003,   0.001,  -0.011)  ( -0.002,   0.003,  -0.008)  ( 0.00,  0.00,  0.00)
178:     bond    (  1.037,  -1.995,  -2.372)  (  1.037,  -1.994,  -2.370)  ( 0.04,  0.08,  0.10)
178:     angle   (  7.753,   4.193,  -0.134)  (  7.753,   4.193,  -0.134)  ( 0.01,  0.01,  0.00)
178:     strbnd  ( -1.461,   4.844,   2.139)  ( -1.461,   4.844,   2.139)  ( 0.01,  0.00,  0.00)
178:     torsion ( -0.878,  -0.004,  -0.381)  ( -0.878,  -0.004,  -0.381)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -4.671,  -0.499,  -3.122)  ( -4.671,  -0.499,  -3.122)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.784,  -6.538,   3.859)  ( -1.784,  -6.538,   3.859)  ( 0.00,  0.00,  0.00)
178:  8       ( -0.032,  -0.009,  -0.062)  ( -0.026,  -0.003,  -0.056)  ( 0.02,  0.01,  0.04)
178:     bond    ( 28.388,  -6.583,  25.817)  ( 28.392,  -6.579,  25.822)  ( 0.01,  0.07,  0.02)
178:     angle   ( 20.852, -42.145,   9.628)  ( 20.855, -42.143,   9.631)  ( 0.01,  0.01,  0.03)
178:     strbnd  (-22.777,  13.988,  -5.015)  (-22.779,  13.987,  -5.016)  ( 0.01,  0.01,  0.03)
178:     torsion (  0.321,   0.437,   0.397)  (  0.321,   0.437,   0.397)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -4.001,  -4.773,  -0.834)  ( -4.001,  -4.773,  -0.833)  ( 0.00,  0.00,  0.01)
178:     electro (-22.814,  39.068, -30.055)  (-22.814,  39.068, -30.055)  ( 0.00,  0.00,  0.00)
178:  9       ( -0.012,  -0.016,   0.015)  ( -0.010,  -0.015,   0.019)  ( 0.00,  0.00,  0.01)
178:     bond    (  4.898,   2.108, -13.219)  (  4.899,   2.108, -13.215)  ( 0.01,  0.00,  0.03)
178:     angle   (-15.468,  14.840,  -3.366)  (-15.467,  14.841,  -3.366)  ( 0.00,  0.01,  0.00)
178:     strbnd  (  2.100,  -0.558,   3.958)  (  2.100,  -0.557,   3.957)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.237,   0.413,  -0.022)  ( -0.237,   0.413,  -0.022)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.287,  -9.907,  -2.057)  (  2.287,  -9.907,  -2.057)  ( 0.01,  0.00,  0.00)
178:     electro (  6.408,  -6.914,  14.722)  (  6.408,  -6.914,  14.722)  ( 0.00,  0.00,  0.00)
178: 10       (  0.005,   0.002,  -0.008)  (  0.006,   0.006,  -0.007)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.622,   8.610,  -1.046)  ( -0.621,   8.614,  -1.046)  ( 0.00,  0.05,  0.01)
178:     angle   ( -2.836,  -0.584,  -3.128)  ( -2.836,  -0.584,  -3.128)  ( 0.03,  0.00,  0.03)
178:     strbnd  (  3.566,  -9.587,   2.403)  (  3.565,  -9.587,   2.403)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.022,  -0.015,  -0.134)  (  0.022,  -0.015,  -0.134)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -6.627,  -4.176,  -5.962)  ( -6.626,  -4.176,  -5.962)  ( 0.00,  0.00,  0.00)
178:     electro (  6.502,   5.754,   7.859)  (  6.502,   5.754,   7.859)  ( 0.00,  0.00,  0.00)
178: 11       (  0.002,   0.013,   0.066)  (  0.007,   0.019,   0.072)  ( 0.00,  0.01,  0.04)
178:     bond    (  1.773,   2.387,  -5.000)  (  1.776,   2.390,  -4.997)  ( 0.16,  0.12,  0.06)
178:     angle   (  0.727,  15.938,  -2.297)  (  0.730,  15.941,  -2.294)  ( 0.20,  0.02,  0.12)
178:     strbnd  (  3.999,   0.582,   7.350)  (  3.998,   0.581,   7.349)  ( 0.02,  0.04,  0.01)
178:     torsion (  0.269,  -0.168,  -0.155)  (  0.269,  -0.168,  -0.155)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (-12.090,  -5.836, -10.984)  (-12.090,  -5.836, -10.983)  ( 0.00,  0.00,  0.00)
178:     electro (  5.324, -12.890,  11.152)  (  5.324, -12.890,  11.152)  ( 0.00,  0.00,  0.00)
178: 12       (  0.053,   0.047,   0.012)  (  0.059,   0.054,   0.016)  ( 0.03,  0.03,  0.00)
178:     bond    ( 12.471,   8.264,  -8.201)  ( 12.475,   8.269,  -8.198)  ( 0.03,  0.05,  0.04)
178:     angle   ( -4.431,  -3.492,  12.184)  ( -4.428,  -3.490,  12.186)  ( 0.05,  0.06,  0.02)
178:     strbnd  ( -0.524,  -0.135,  -1.592)  ( -0.525,  -0.135,  -1.593)  ( 0.04,  0.01,  0.09)
178:     torsion (  0.324,   0.205,  -0.795)  (  0.324,   0.205,  -0.795)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.153,  -5.825,  12.012)  ( -2.153,  -5.825,  12.012)  ( 0.01,  0.00,  0.00)
178:     electro ( -5.634,   1.031, -13.597)  ( -5.634,   1.031, -13.597)  ( 0.00,  0.00,  0.00)
178: 13       ( -0.033,   0.044,  -0.066)  ( -0.028,   0.050,  -0.060)  ( 0.02,  0.02,  0.04)
178:     bond    ( -1.022,   2.769, -11.636)  ( -1.018,   2.773, -11.632)  ( 0.38,  0.15,  0.04)
178:     angle   (  2.667,  -0.692,   3.803)  (  2.669,  -0.690,   3.805)  ( 0.08,  0.14,  0.05)
178:     strbnd  ( -0.724,  -0.340,  -1.109)  ( -0.725,  -0.341,  -1.109)  ( 0.06,  0.02,  0.06)
178:     torsion (  0.405,   1.098,  -1.920)  (  0.405,   1.098,  -1.920)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -1.359,  -2.790,  10.796)  ( -1.359,  -2.790,  10.796)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 14       (  0.007,  -0.025,   0.013)  (  0.013,  -0.021,   0.019)  ( 0.00,  0.01,  0.01)
178:     bond    ( 11.175, -20.171,  13.213)  ( 11.179, -20.168,  13.217)  ( 0.04,  0.02,  0.03)
178:     angle   (  2.571,   9.759,   3.518)  (  2.573,   9.761,   3.520)  ( 0.08,  0.02,  0.06)
178:     strbnd  ( -2.280,   2.701,  -3.055)  ( -2.280,   2.700,  -3.056)  ( 0.02,  0.05,  0.02)
178:     torsion ( -0.110,  -0.615,   0.673)  ( -0.110,  -0.615,   0.673)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.374,  10.869,  -0.069)  (  0.374,  10.869,  -0.069)  ( 0.01,  0.00,  0.00)
178:     electro (-11.723,  -2.568, -14.267)  (-11.723,  -2.568, -14.267)  ( 0.00,  0.00,  0.00)
178: 15       (  0.013,  -0.037,  -0.024)  (  0.019,  -0.032,  -0.019)  ( 0.01,  0.02,  0.01)
178:     bond    ( -3.351, -12.352,  -4.364)  ( -3.347, -12.347,  -4.360)  ( 0.12,  0.03,  0.09)
178:     angle   (  1.262,   4.111,   2.963)  (  1.264,   4.113,   2.965)  ( 0.16,  0.05,  0.07)
178:     strbnd  (  0.414,  -1.051,   0.669)  (  0.413,  -1.052,   0.669)  ( 0.03,  0.07,  0.04)
178:     torsion (  0.521,  -2.349,  -0.078)  (  0.521,  -2.349,  -0.078)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.168,  11.604,   0.785)  (  1.168,  11.604,   0.785)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 16       ( -0.001,   0.047,  -0.037)  (  0.003,   0.054,  -0.031)  ( 0.00,  0.03,  0.02)
178:     bond    (-10.254,  10.924,  12.441)  (-10.251,  10.929,  12.446)  ( 0.03,  0.04,  0.03)
178:     angle   ( 11.832,  -5.832,   1.537)  ( 11.834,  -5.830,   1.540)  ( 0.02,  0.04,  0.14)
178:     strbnd  (  3.079,  -1.593,  -1.792)  (  3.078,  -1.593,  -1.793)  ( 0.04,  0.03,  0.03)
178:     torsion ( -0.671,   0.413,   0.394)  ( -0.671,   0.413,   0.394)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 10.629,  -5.544,  -4.869)  ( 10.629,  -5.544,  -4.869)  ( 0.00,  0.00,  0.00)
178:     electro (-14.616,   1.679,  -7.750)  (-14.616,   1.679,  -7.750)  ( 0.00,  0.00,  0.00)
178: 17       (  0.044,  -0.013,  -0.069)  (  0.050,  -0.007,  -0.064)  ( 0.02,  0.01,  0.04)
178:     bond    (-11.600,   1.517,   0.561)  (-11.596,   1.521,   0.565)  ( 0.04,  0.28,  0.22)
178:     angle   (  4.361,   1.078,   1.006)  (  4.363,   1.080,   1.008)  ( 0.05,  0.19,  0.21)
178:     strbnd  ( -1.688,  -0.141,  -0.612)  ( -1.689,  -0.142,  -0.613)  ( 0.04,  0.01,  0.05)
178:     torsion ( -1.913,   0.730,   0.873)  ( -1.913,   0.730,   0.873)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 10.884,  -3.197,  -1.897)  ( 10.884,  -3.196,  -1.897)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 18       ( -0.052,   0.010,   0.016)  ( -0.046,   0.015,   0.022)  ( 0.03,  0.01,  0.01)
178:     bond    ( -8.989,  -3.786,  -7.821)  ( -8.985,  -3.782,  -7.817)  ( 0.04,  0.10,  0.05)
178:     angle   ( -7.201,  -4.293,  -6.623)  ( -7.199,  -4.291,  -6.620)  ( 0.03,  0.05,  0.03)
178:     strbnd  (  0.874,   0.570,   0.666)  (  0.873,   0.569,   0.665)  ( 0.06,  0.05,  0.05)
178:     torsion (  3.308,   1.707,   2.879)  (  3.308,   1.708,   2.879)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 11.956,   5.812,  10.915)  ( 11.956,   5.812,  10.915)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 19       ( -0.010,  -0.054,  -0.000)  ( -0.010,  -0.051,   0.000)  ( 0.00,  0.02,  0.00)
178:     bond    (  0.153,   1.775,  -0.001)  (  0.153,   1.779,  -0.001)  ( 0.00,  0.19,  0.00)
178:     angle   (  0.670,  -0.060,  -4.842)  (  0.670,  -0.060,  -4.841)  ( 0.03,  0.00,  0.01)
178:     strbnd  (  0.815,   0.040,  -1.119)  (  0.815,   0.040,  -1.119)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.405,   0.035,   0.864)  ( -0.405,   0.035,   0.864)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -1.243,  -1.845,   5.098)  ( -1.243,  -1.845,   5.098)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       ( -0.030,   0.008,  -0.000)  ( -0.027,   0.009,   0.001)  ( 0.01,  0.00,  0.00)
178:     bond    (  1.090,  -0.510,  -0.354)  (  1.093,  -0.510,  -0.354)  ( 0.24,  0.03,  0.01)
178:     angle   ( -1.149,   1.385,  -5.542)  ( -1.148,   1.385,  -5.542)  ( 0.01,  0.03,  0.01)
178:     strbnd  (  0.136,   1.058,  -0.892)  (  0.136,   1.058,  -0.892)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.156,  -0.327,  -0.012)  ( -0.156,  -0.327,  -0.012)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.048,  -1.599,   6.800)  (  0.048,  -1.599,   6.800)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 21       (  0.026,  -0.047,   0.017)  (  0.027,  -0.045,   0.018)  ( 0.00,  0.01,  0.00)
178:     bond    ( -1.201,   2.098,  -1.005)  ( -1.200,   2.100,  -1.004)  ( 0.06,  0.10,  0.05)
178:     angle   (  1.262,  -0.296,  -2.127)  (  1.262,  -0.296,  -2.126)  ( 0.04,  0.01,  0.02)
178:     strbnd  (  0.580,  -0.948,  -0.176)  (  0.580,  -0.948,  -0.176)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.425,  -0.185,   0.120)  ( -0.425,  -0.185,   0.120)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.190,  -0.716,   3.204)  ( -0.190,  -0.716,   3.204)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 22       ( -0.010,   0.005,   0.009)  ( -0.009,   0.007,   0.011)  ( 0.00,  0.00,  0.00)
178:     bond    (  1.021,  -1.244,  -1.972)  (  1.022,  -1.244,  -1.970)  ( 0.05,  0.07,  0.10)
178:     angle   (  0.097,   2.258,  -1.376)  (  0.097,   2.259,  -1.375)  ( 0.00,  0.02,  0.01)
178:     strbnd  ( -0.623,   0.860,   0.374)  ( -0.623,   0.860,   0.374)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.785,  -0.995,   0.221)  ( -0.785,  -0.995,   0.221)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.280,  -0.873,   2.761)  (  0.280,  -0.873,   2.761)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 23       ( -0.000,  -0.002,  -0.005)  (  0.003,  -0.001,  -0.004)  ( 0.00,  0.00,  0.00)
178:     bond    ( -2.170,   0.852,   0.493)  ( -2.167,   0.853,   0.494)  ( 0.13,  0.04,  0.01)
178:     angle   ( -2.709,  -4.551,  -4.037)  ( -2.709,  -4.550,  -4.036)  ( 0.00,  0.01,  0.01)
178:     strbnd  (  0.176,  -2.037,   0.838)  (  0.176,  -2.037,   0.838)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.238,   0.878,  -0.470)  (  0.238,   0.878,  -0.470)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  4.466,   4.856,   3.170)  (  4.466,   4.856,   3.170)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 24       ( -0.002,   0.009,  -0.015)  ( -0.001,   0.010,  -0.012)  ( 0.00,  0.00,  0.00)
178:     bond    (  0.707,   0.613,  -2.070)  (  0.707,   0.614,  -2.067)  ( 0.02,  0.02,  0.14)
178:     angle   ( -4.504,  -2.559,  -2.301)  ( -4.503,  -2.559,  -2.301)  ( 0.01,  0.02,  0.01)
178:     strbnd  (  0.695,  -2.064,   0.376)  (  0.695,  -2.064,   0.376)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.221,  -0.053,  -0.091)  ( -0.221,  -0.053,  -0.091)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.321,   4.072,   4.071)  (  3.321,   4.072,   4.071)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 25       ( -0.009,  -0.007,  -0.002)  ( -0.007,  -0.005,  -0.001)  ( 0.00,  0.00,  0.00)
178:     bond    ( -1.648,  -1.647,   1.112)  ( -1.647,  -1.646,   1.112)  ( 0.08,  0.08,  0.06)
178:     angle   (  1.712,  -2.113,  -0.592)  (  1.713,  -2.113,  -0.591)  ( 0.02,  0.01,  0.03)
178:     strbnd  (  0.745,   0.180,  -0.903)  (  0.745,   0.180,  -0.903)  ( 0.00,  0.00,  0.00)
178:     torsion ( -1.112,   0.821,  -0.431)  ( -1.112,   0.821,  -0.431)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.294,   2.752,   0.812)  (  0.294,   2.752,   0.812)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 26       ( -0.008,   0.000,   0.010)  ( -0.007,   0.001,   0.012)  ( 0.00,  0.00,  0.00)
178:     bond    (  1.332,  -1.438,  -1.930)  (  1.333,  -1.438,  -1.928)  ( 0.06,  0.06,  0.09)
178:     angle   ( -0.781,  -2.060,   0.995)  ( -0.781,  -2.059,   0.995)  ( 0.03,  0.02,  0.03)
178:     strbnd  ( -0.923,   0.023,   0.780)  ( -0.923,   0.023,   0.780)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.202,   0.234,  -0.314)  ( -0.202,   0.234,  -0.314)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.566,   3.241,   0.479)  (  0.566,   3.241,   0.479)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 27       (  0.005,  -0.016,   0.014)  (  0.006,  -0.015,   0.017)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.381,  -0.596,   1.972)  ( -0.381,  -0.596,   1.975)  ( 0.00,  0.02,  0.15)
178:     angle   ( -5.129,   2.087,  -0.360)  ( -5.128,   2.087,  -0.360)  ( 0.01,  0.02,  0.00)
178:     strbnd  ( -1.239,   1.214,   0.126)  ( -1.239,   1.214,   0.126)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.569,  -0.651,  -0.087)  (  0.569,  -0.651,  -0.087)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  6.185,  -2.069,  -1.637)  (  6.186,  -2.069,  -1.637)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 28       (  0.001,  -0.026,  -0.001)  (  0.001,  -0.023,   0.000)  ( 0.00,  0.01,  0.00)
178:     bond    (  0.029,   2.103,  -0.090)  (  0.029,   2.106,  -0.090)  ( 0.00,  0.16,  0.00)
178:     angle   ( -3.823,   0.096,   0.999)  ( -3.823,   0.096,   0.999)  ( 0.02,  0.00,  0.05)
178:     strbnd  ( -1.408,   0.111,   1.022)  ( -1.408,   0.111,   1.022)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.186,  -0.014,  -0.265)  (  0.186,  -0.014,  -0.265)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  5.016,  -2.322,  -1.666)  (  5.016,  -2.322,  -1.666)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 29       ( -0.010,   0.009,   0.006)  ( -0.009,   0.011,   0.007)  ( 0.00,  0.00,  0.00)
178:     bond    ( -1.360,   1.906,  -0.984)  ( -1.359,   1.908,  -0.983)  ( 0.07,  0.10,  0.05)
178:     angle   ( -1.796,  -0.247,   2.003)  ( -1.796,  -0.247,   2.004)  ( 0.02,  0.01,  0.02)
178:     strbnd  (  0.022,  -0.940,   0.574)  (  0.022,  -0.940,   0.574)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.230,  -0.392,  -1.079)  (  0.230,  -0.392,  -1.079)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.893,  -0.319,  -0.508)  (  2.893,  -0.319,  -0.508)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 30       ( -0.034,  -0.020,   0.025)  ( -0.032,  -0.019,   0.027)  ( 0.01,  0.00,  0.00)
178:     bond    ( -1.739,  -1.521,   1.401)  ( -1.737,  -1.520,   1.402)  ( 0.08,  0.07,  0.07)
178:     angle   ( -1.608,   1.824,  -0.015)  ( -1.608,   1.824,  -0.015)  ( 0.02,  0.02,  0.00)
178:     strbnd  (  0.184,   0.874,  -0.682)  (  0.184,   0.874,  -0.682)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.081,  -0.467,  -0.406)  (  0.081,  -0.467,  -0.406)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.048,  -0.731,  -0.273)  (  3.048,  -0.731,  -0.273)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 31       (  0.009,  -0.001,   0.008)  (  0.010,   0.000,   0.009)  ( 0.00,  0.00,  0.00)
178:     bond    ( -0.898,  -0.437,  -0.824)  ( -0.896,  -0.436,  -0.823)  ( 0.15,  0.02,  0.11)
178:     angle   (  0.051,   0.059,  -0.088)  (  0.051,   0.060,  -0.088)  ( 0.00,  0.00,  0.00)
178:     strbnd  ( -0.056,   0.008,  -0.026)  ( -0.056,   0.008,  -0.026)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.032,  -0.088,   0.081)  ( -0.032,  -0.087,   0.081)  ( 0.00,  0.00,  0.00)
178:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.943,   0.456,   0.865)  (  0.943,   0.456,   0.865)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 14 # gradients 
178: ok 15 # energy 
178: ----------------------------------------------------------------------------------------
178:                                                                                         
178:   VALIDATE GRADIENTS : vuwxug.xyz
178:                                                                                         
178:                                                                                         
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (  3.869,   2.130,  -0.620)  (  3.613,   1.990,  -0.587)  ( 6.61,  6.59,  2.03)
178:     bond    (  4.935,  -9.109,  -1.104)  (  4.935,  -9.107,  -1.104)  ( 0.02,  0.03,  0.01)
178:     angle   ( -2.548,  -2.956,  12.992)  ( -2.548,  -2.956,  12.993)  ( 0.00,  0.00,  0.01)
178:     strbnd  (  3.655,  -7.443,   0.124)  (  3.655,  -7.443,   0.124)  ( 0.00,  0.00,  0.00)
178:     torsion (  4.665,   2.461,   0.552)  (  4.665,   2.461,   0.552)  ( 0.00,  0.00,  0.00)
178:     oop     (  1.651,   0.927,  -0.264)  (  1.394,   0.784,  -0.232)  (15.54, 13.24,  0.84)
178:     vdw     ( -2.138,   3.876,  -4.785)  ( -2.138,   3.876,  -4.785)  ( 0.00,  0.00,  0.00)
178:     electro ( -6.351,  14.374,  -8.135)  ( -6.351,  14.374,  -8.135)  ( 0.00,  0.00,  0.00)
178:  2       (  4.195,   1.244,  -0.194)  (  3.655,   1.086,  -0.159)  (12.86, 12.64,  0.68)
178:     bond    (  6.117, -25.834, -17.177)  (  6.117, -25.831, -17.166)  ( 0.01,  0.01,  0.06)
178:     angle   ( -9.069,  20.562,  11.811)  ( -9.068,  20.564,  11.813)  ( 0.00,  0.01,  0.02)
178:     strbnd  ( -0.570,   2.942,  11.231)  ( -0.570,   2.942,  11.229)  ( 0.00,  0.01,  0.02)
178:     torsion (  5.123,   1.707,  -0.094)  (  5.124,   1.707,  -0.094)  ( 0.01,  0.00,  0.00)
178:     oop     (  3.384,   0.966,  -0.184)  (  2.844,   0.804,  -0.160)  (15.97, 15.69,  0.44)
178:     vdw     ( -0.760,   1.774,  -1.397)  ( -0.760,   1.774,  -1.397)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.031,  -0.874,  -4.384)  ( -0.031,  -0.874,  -4.384)  ( 0.00,  0.00,  0.00)
178:  3       (-13.485,  -5.099,   2.472)  (-12.579,  -4.741,   2.343)  ( 6.72,  7.01,  5.25)
178:     bond    ( -0.092,  -4.505,  20.203)  ( -0.091,  -4.501,  20.209)  ( 0.01,  0.11,  0.03)
178:     angle   ( 15.243, -23.754, -22.274)  ( 15.243, -23.753, -22.272)  ( 0.00,  0.01,  0.01)
178:     strbnd  ( -1.022,   1.368,   2.985)  ( -1.022,   1.367,   2.985)  ( 0.02,  0.04,  0.02)
178:     torsion (-13.583,  -4.422,   0.322)  (-13.582,  -4.422,   0.322)  ( 0.00,  0.00,  0.00)
178:     oop     ( -6.172,  -2.314,   1.085)  ( -5.268,  -1.962,   0.948)  (14.65, 15.20, 12.64)
178:     vdw     ( -1.549,   6.037,   1.007)  ( -1.549,   6.037,   1.007)  ( 0.00,  0.00,  0.00)
178:     electro ( -6.310,  22.492,  -0.857)  ( -6.310,  22.492,  -0.857)  ( 0.00,  0.00,  0.00)
178:  4       (  0.015,   0.009,  -0.021)  (  0.130,   0.041,  -0.020)  ( 0.18,  0.03,  0.00)
178:     bond    (  0.074,  -3.835, -13.494)  (  0.074,  -3.834, -13.485)  ( 0.00,  0.02,  0.06)
178:     angle   (  0.976,  -3.230,   0.924)  (  0.976,  -3.229,   0.924)  ( 0.00,  0.02,  0.01)
178:     strbnd  ( -0.552,   0.029,  -7.860)  ( -0.552,   0.029,  -7.860)  ( 0.00,  0.00,  0.00)
178:     torsion ( -1.551,  -0.406,   0.107)  ( -1.551,  -0.406,   0.107)  ( 0.01,  0.00,  0.00)
178:     oop     ( -0.503,  -0.135,   0.036)  ( -0.388,  -0.104,   0.028)  ( 5.79,  0.41,  0.03)
178:     vdw     (  0.515,   2.328,   5.755)  (  0.515,   2.328,   5.755)  ( 0.00,  0.01,  0.00)
178:     electro (  1.057,   5.257,  14.512)  (  1.057,   5.257,  14.512)  ( 0.00,  0.00,  0.00)
178:  5       (  5.402,   1.718,  -1.674)  (  5.102,   1.621,  -1.576)  ( 5.55,  5.65,  5.91)
178:     bond    (  0.018,   0.073,   0.129)  (  0.018,   0.074,   0.133)  ( 0.00,  0.01,  0.05)
178:     angle   ( -4.844,   9.643,  -4.711)  ( -4.844,   9.644,  -4.711)  ( 0.00,  0.01,  0.00)
178:     strbnd  ( -0.264,   0.055,   0.251)  ( -0.264,   0.055,   0.251)  ( 0.00,  0.00,  0.00)
178:     torsion (  4.479,   0.424,  -0.834)  (  4.479,   0.424,  -0.834)  ( 0.00,  0.00,  0.00)
178:     oop     (  2.303,   0.738,  -0.718)  (  2.003,   0.639,  -0.623)  (13.05,  7.29,  6.82)
178:     vdw     ( -0.672,   1.547,  -1.346)  ( -0.672,   1.547,  -1.346)  ( 0.00,  0.00,  0.00)
178:     electro (  4.382, -10.762,   5.553)  (  4.382, -10.762,   5.553)  ( 0.00,  0.00,  0.00)
178:  6       ( -4.199,  -1.254,   0.172)  ( -3.655,  -1.086,   0.159)  (12.96, 13.38,  0.22)
178:     bond    ( -6.118,  25.827,  17.156)  ( -6.117,  25.831,  17.166)  ( 0.01,  0.01,  0.06)
178:     angle   (  9.068, -20.566, -11.815)  (  9.068, -20.564, -11.813)  ( 0.00,  0.01,  0.02)
178:     strbnd  (  0.570,  -2.941, -11.227)  (  0.570,  -2.942, -11.229)  ( 0.00,  0.01,  0.02)
178:     torsion ( -5.124,  -1.707,   0.094)  ( -5.124,  -1.707,   0.094)  ( 0.01,  0.00,  0.00)
178:     oop     ( -3.387,  -0.966,   0.184)  ( -2.844,  -0.804,   0.160)  (16.04, 15.71,  0.44)
178:     vdw     (  0.760,  -1.774,   1.397)  (  0.760,  -1.774,   1.397)  ( 0.00,  0.00,  0.00)
178:     electro (  0.031,   0.874,   4.384)  (  0.031,   0.874,   4.384)  ( 0.00,  0.00,  0.00)
178:  7       ( 13.481,   5.087,  -2.487)  ( 12.579,   4.741,  -2.343)  ( 6.69,  6.79,  5.82)
178:     bond    (  0.090,   4.496, -20.215)  (  0.091,   4.501, -20.209)  ( 0.01,  0.11,  0.03)
178:     angle   (-15.244,  23.751,  22.270)  (-15.243,  23.753,  22.272)  ( 0.00,  0.01,  0.01)
178:     strbnd  (  1.022,  -1.367,  -2.985)  (  1.022,  -1.367,  -2.985)  ( 0.02,  0.04,  0.02)
178:     torsion ( 13.582,   4.422,  -0.322)  ( 13.582,   4.422,  -0.322)  ( 0.00,  0.00,  0.00)
178:     oop     (  6.172,   2.314,  -1.085)  (  5.268,   1.962,  -0.948)  (14.64, 15.20, 12.65)
178:     vdw     (  1.549,  -6.037,  -1.007)  (  1.549,  -6.037,  -1.007)  ( 0.00,  0.00,  0.00)
178:     electro (  6.310, -22.492,   0.857)  (  6.310, -22.492,   0.857)  ( 0.00,  0.00,  0.00)
178:  8       ( -0.016,  -0.012,   0.004)  ( -0.130,  -0.041,   0.020)  ( 0.18,  0.04,  0.01)
178:     bond    ( -0.074,   3.834,  13.477)  ( -0.074,   3.834,  13.485)  ( 0.00,  0.02,  0.06)
178:     angle   ( -0.976,   3.229,  -0.924)  ( -0.976,   3.229,  -0.924)  ( 0.00,  0.02,  0.01)
178:     strbnd  (  0.552,  -0.030,   7.860)  (  0.552,  -0.029,   7.860)  ( 0.00,  0.00,  0.00)
178:     torsion (  1.551,   0.406,  -0.107)  (  1.551,   0.406,  -0.107)  ( 0.01,  0.00,  0.00)
178:     oop     (  0.503,   0.135,  -0.036)  (  0.388,   0.104,  -0.028)  ( 5.76,  0.41,  0.03)
178:     vdw     ( -0.515,  -2.328,  -5.755)  ( -0.515,  -2.328,  -5.755)  ( 0.00,  0.01,  0.00)
178:     electro ( -1.057,  -5.257, -14.512)  ( -1.057,  -5.257, -14.512)  ( 0.00,  0.00,  0.00)
178:  9       ( -3.870,  -2.135,   0.618)  ( -3.613,  -1.990,   0.587)  ( 6.65,  6.81,  1.92)
178:     bond    ( -4.936,   9.104,   1.104)  ( -4.935,   9.107,   1.104)  ( 0.02,  0.03,  0.01)
178:     angle   (  2.548,   2.956, -12.993)  (  2.548,   2.956, -12.993)  ( 0.00,  0.00,  0.01)
178:     strbnd  ( -3.655,   7.442,  -0.124)  ( -3.655,   7.443,  -0.124)  ( 0.00,  0.00,  0.00)
178:     torsion ( -4.666,  -2.462,  -0.552)  ( -4.665,  -2.461,  -0.552)  ( 0.00,  0.00,  0.00)
178:     oop     ( -1.651,  -0.927,   0.264)  ( -1.394,  -0.784,   0.232)  (15.54, 13.24,  0.84)
178:     vdw     (  2.138,  -3.876,   4.785)  (  2.138,  -3.876,   4.785)  ( 0.00,  0.00,  0.00)
178:     electro (  6.351, -14.374,   8.135)  (  6.351, -14.374,   8.135)  ( 0.00,  0.00,  0.00)
178: 10       ( -5.402,  -1.721,   1.667)  ( -5.102,  -1.621,   1.576)  ( 5.57,  5.84,  5.47)
178:     bond    ( -0.018,  -0.075,  -0.136)  ( -0.018,  -0.074,  -0.133)  ( 0.00,  0.01,  0.05)
178:     angle   (  4.844,  -9.644,   4.710)  (  4.844,  -9.644,   4.711)  ( 0.00,  0.01,  0.00)
178:     strbnd  (  0.264,  -0.055,  -0.251)  (  0.264,  -0.055,  -0.251)  ( 0.00,  0.00,  0.00)
178:     torsion ( -4.480,  -0.424,   0.834)  ( -4.479,  -0.424,   0.834)  ( 0.00,  0.00,  0.00)
178:     oop     ( -2.303,  -0.738,   0.718)  ( -2.003,  -0.639,   0.623)  (13.05,  7.29,  6.82)
178:     vdw     (  0.672,  -1.547,   1.346)  (  0.672,  -1.547,   1.346)  ( 0.00,  0.00,  0.00)
178:     electro ( -4.382,  10.762,  -5.553)  ( -4.382,  10.762,  -5.553)  ( 0.00,  0.00,  0.00)
178: ok 16 # gradients 
177:  1       (  0.967,   0.259,  -0.197)  (  0.972,   0.264,  -0.191)  ( 0.49,  0.14,  0.12)
177:     bond    (  0.905,   2.623,   8.120)  (  0.909,   2.627,   8.124)  ( 0.37,  0.15,  0.05)
177:     angle   (  7.385,   0.772,  -9.892)  (  7.388,   0.774,  -9.889)  ( 0.03,  0.16,  0.02)
177:     strbnd  (  0.181,   1.490,  -0.840)  (  0.180,   1.489,  -0.841)  ( 0.02,  0.06,  0.05)
177:     torsion ( -3.658,  -1.057,   2.616)  ( -3.658,  -1.057,   2.616)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.221,  -3.068,  -0.045)  ( -3.221,  -3.068,  -0.045)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.625,  -0.501,  -0.156)  ( -0.625,  -0.501,  -0.156)  ( 0.00,  0.00,  0.00)
177:  2       (  0.736,   0.034,   0.004)  (  0.742,   0.039,   0.010)  ( 0.41,  0.02,  0.00)
177:     bond    ( 11.123,  -1.351,  -2.048)  ( 11.127,  -1.347,  -2.044)  ( 0.04,  0.29,  0.21)
177:     angle   ( -8.045,   1.278,   9.737)  ( -8.043,   1.280,   9.739)  ( 0.03,  0.16,  0.02)
177:     strbnd  (  0.965,  -2.280,   1.631)  (  0.965,  -2.281,   1.630)  ( 0.07,  0.04,  0.02)
177:     torsion (  4.294,   0.736,  -3.479)  (  4.294,   0.736,  -3.478)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -7.601,   1.652,  -5.836)  ( -7.601,   1.652,  -5.836)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       (  0.562,   0.076,  -0.092)  (  0.566,   0.081,  -0.087)  ( 0.27,  0.04,  0.05)
177:     bond    (  6.097,  -9.677,  17.390)  (  6.101,  -9.673,  17.394)  ( 0.06,  0.04,  0.02)
177:     angle   ( -1.378,   4.252, -13.110)  ( -1.376,   4.254, -13.108)  ( 0.15,  0.05,  0.02)
177:     strbnd  (  0.257,   0.181,  -0.552)  (  0.256,   0.180,  -0.552)  ( 0.03,  0.01,  0.03)
177:     torsion ( -0.355,   2.764,   0.802)  ( -0.355,   2.764,   0.802)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.059,   2.557,  -4.623)  ( -4.059,   2.557,  -4.623)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  4       (  1.701,   0.453,   0.308)  (  1.706,   0.472,   0.382)  ( 0.30,  0.89,  2.27)
177:     bond    (  8.642,  10.885,  -8.146)  (  8.646,  10.889,  -8.142)  ( 0.04,  0.04,  0.05)
177:     angle   ( -7.598,  -8.113,  12.883)  ( -7.596,  -8.111,  12.884)  ( 0.03,  0.02,  0.01)
177:     strbnd  ( -1.384,   1.903,  -1.050)  ( -1.385,   1.903,  -1.050)  ( 0.08,  0.03,  0.05)
177:     torsion (  3.685,   2.177,  -4.847)  (  3.685,   2.177,  -4.846)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.002,  -0.088,  -0.446)  ( -0.002,  -0.075,  -0.377)  ( 0.00,  0.12,  3.03)
177:     vdw     ( -1.895,  -6.707,   1.430)  ( -1.894,  -6.706,   1.430)  ( 0.00,  0.00,  0.00)
177:     electro (  0.253,   0.395,   0.484)  (  0.253,   0.395,   0.484)  ( 0.00,  0.00,  0.00)
177:  5       ( -7.881,   4.561,  -0.394)  ( -7.870,   4.527,  -0.600)  ( 0.14,  0.76,  8.12)
177:     bond    (-12.705,  14.137,  -1.636)  (-12.697,  14.141,  -1.636)  ( 0.06,  0.03,  0.02)
177:     angle   (  1.253,   3.126,  -9.477)  (  1.254,   3.128,  -9.476)  ( 0.12,  0.05,  0.01)
177:     strbnd  (  1.419,  -3.117,   0.027)  (  1.419,  -3.117,   0.027)  ( 0.04,  0.02,  0.00)
177:     torsion ( -0.255,   1.581,   7.797)  ( -0.255,   1.581,   7.798)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.011,   0.244,   1.272)  ( -0.008,   0.203,   1.063)  ( 0.00,  0.98, 16.38)
177:     vdw     (  0.999, -11.742,   1.783)  (  0.999, -11.742,   1.783)  ( 0.02,  0.00,  0.00)
177:     electro (  1.419,   0.332,  -0.159)  (  1.419,   0.332,  -0.159)  ( 0.00,  0.00,  0.00)
177:  6       (  8.807,  -4.640,   1.194)  (  8.816,  -4.626,   1.216)  ( 0.11,  0.29,  1.77)
177:     bond    (  3.884,   4.853,  -0.204)  (  3.892,   4.858,  -0.204)  ( 0.19,  0.11,  0.01)
177:     angle   (  1.621,  -0.921,   2.154)  (  1.622,  -0.919,   2.155)  ( 0.08,  0.16,  0.02)
177:     strbnd  ( -1.690,   1.656,  -0.349)  ( -1.691,   1.655,  -0.349)  ( 0.04,  0.03,  0.00)
177:     torsion ( -0.062,  -0.722,  -2.668)  ( -0.062,  -0.722,  -2.667)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.011,  -0.030,  -0.074)  ( -0.010,  -0.023,  -0.055)  ( 0.00,  0.02,  0.14)
177:     vdw     (  4.938,  -9.590,   2.718)  (  4.938,  -9.589,   2.718)  ( 0.00,  0.00,  0.00)
177:     electro (  0.127,   0.114,  -0.383)  (  0.127,   0.114,  -0.383)  ( 0.00,  0.00,  0.00)
177:  7       ( -0.810,   0.444,  -0.283)  ( -0.806,   0.452,  -0.254)  ( 0.32,  0.37,  0.83)
177:     bond    (-11.282,  11.208,   0.541)  (-11.278,  11.212,   0.545)  ( 0.04,  0.03,  0.24)
177:     angle   (  9.286,  -4.053,  -3.402)  (  9.288,  -4.051,  -3.400)  ( 0.02,  0.05,  0.04)
177:     strbnd  (  0.811,  -0.072,  -0.853)  (  0.810,  -0.073,  -0.854)  ( 0.06,  0.01,  0.03)
177:     torsion ( -1.331,  -0.869,   0.696)  ( -1.331,  -0.869,   0.696)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.009,  -0.020,  -0.131)  (  0.007,  -0.017,  -0.108)  ( 0.00,  0.01,  0.31)
177:     vdw     (  0.881,  -5.592,   2.703)  (  0.881,  -5.592,   2.703)  ( 0.01,  0.00,  0.00)
177:     electro (  0.815,  -0.158,   0.163)  (  0.815,  -0.158,   0.163)  ( 0.00,  0.00,  0.00)
177:  8       (  0.736,   0.178,   0.067)  (  0.740,   0.183,   0.072)  ( 0.35,  0.09,  0.04)
177:     bond    ( -1.261,  -2.729, -19.147)  ( -1.258,  -2.725, -19.143)  ( 0.27,  0.13,  0.02)
177:     angle   ( -9.942,   7.503,  26.405)  ( -9.940,   7.505,  26.407)  ( 0.02,  0.03,  0.01)
177:     strbnd  (  4.138,   2.113,   0.872)  (  4.137,   2.112,   0.871)  ( 0.02,  0.04,  0.03)
177:     torsion (  2.267,  -2.809,  -7.166)  (  2.267,  -2.809,  -7.166)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.533,  -3.900,  -0.897)  (  5.533,  -3.899,  -0.897)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       (  0.364,   0.232,  -0.008)  (  0.369,   0.237,  -0.002)  ( 0.20,  0.11,  0.00)
177:     bond    ( -6.983,  11.163,   5.799)  ( -6.980,  11.166,   5.803)  ( 0.06,  0.03,  0.07)
177:     angle   (  6.589,   0.564, -10.864)  (  6.592,   0.566, -10.862)  ( 0.04,  0.12,  0.02)
177:     strbnd  ( -4.331,  -9.696,   0.323)  ( -4.332,  -9.697,   0.323)  ( 0.02,  0.01,  0.01)
177:     torsion (  0.192,   1.536,   1.287)  (  0.192,   1.536,   1.287)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.897,  -3.334,   3.446)  (  4.897,  -3.334,   3.447)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 10       (  0.279,   0.320,   0.215)  (  0.284,   0.326,   0.221)  ( 0.13,  0.18,  0.13)
177:     bond    (  3.926,  16.947,  -8.842)  (  3.929,  16.951,  -8.838)  ( 0.09,  0.02,  0.05)
177:     angle   ( -6.642,  -8.727,   8.491)  ( -6.640,  -8.725,   8.493)  ( 0.03,  0.02,  0.02)
177:     strbnd  ( -1.913,  -4.925,   2.830)  ( -1.914,  -4.925,   2.830)  ( 0.05,  0.01,  0.02)
177:     torsion ( -1.013,  -0.173,  -1.195)  ( -1.013,  -0.173,  -1.195)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.922,  -2.802,  -1.070)  (  5.922,  -2.802,  -1.070)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 11       (  0.045,   0.535,   0.496)  (  0.051,   0.539,   0.502)  ( 0.03,  0.24,  0.29)
177:     bond    (-22.008,  -2.471,  -8.891)  (-22.004,  -2.468,  -8.886)  ( 0.02,  0.14,  0.05)
177:     angle   ( 15.128,   5.024,   5.636)  ( 15.130,   5.026,   5.638)  ( 0.01,  0.04,  0.03)
177:     strbnd  (  6.334,   1.549,   3.089)  (  6.333,   1.548,   3.089)  ( 0.01,  0.06,  0.02)
177:     torsion ( -1.616,   1.448,   1.166)  ( -1.616,   1.448,   1.166)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.209,  -5.015,  -0.504)  (  2.209,  -5.015,  -0.504)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 12       (  0.018,  -0.028,  -0.133)  (  0.022,  -0.023,  -0.128)  ( 0.01,  0.01,  0.07)
177:     bond    (-12.958,  14.537,  15.529)  (-12.956,  14.540,  15.533)  ( 0.02,  0.02,  0.03)
177:     angle   (  5.486, -21.711, -16.528)  (  5.488, -21.709, -16.526)  ( 0.04,  0.01,  0.01)
177:     strbnd  (  4.156,   8.341,  -1.058)  (  4.155,   8.340,  -1.059)  ( 0.02,  0.01,  0.04)
177:     torsion (  0.521,  -0.105,  -0.116)  (  0.521,  -0.105,  -0.116)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.814,  -1.090,   2.040)  (  2.814,  -1.090,   2.040)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       ( -0.345,  -0.098,  -0.425)  ( -0.340,  -0.093,  -0.420)  ( 0.16,  0.05,  0.21)
177:     bond    ( 19.196, -25.927,  -5.472)  ( 19.199, -25.923,  -5.468)  ( 0.02,  0.01,  0.07)
177:     angle   (-20.973,  31.110,   6.384)  (-20.971,  31.112,   6.386)  ( 0.01,  0.01,  0.03)
177:     strbnd  ( -1.801,  -4.659,   1.967)  ( -1.802,  -4.660,   1.966)  ( 0.04,  0.02,  0.03)
177:     torsion (  2.190,  -1.303,  -1.287)  (  2.190,  -1.303,  -1.287)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.043,   0.681,  -2.017)  (  1.043,   0.681,  -2.017)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 14       ( -0.307,  -0.668,  -1.189)  ( -0.302,  -0.663,  -1.183)  ( 0.14,  0.32,  0.49)
177:     bond    (-22.467,  22.959, -11.970)  (-22.463,  22.963, -11.965)  ( 0.01,  0.02,  0.04)
177:     angle   ( 20.677, -26.111,   8.252)  ( 20.679, -26.109,   8.254)  ( 0.01,  0.01,  0.02)
177:     strbnd  (  1.372,  -1.663,  -0.432)  (  1.371,  -1.664,  -0.432)  ( 0.07,  0.05,  0.02)
177:     torsion ( -0.738,   1.381,   1.027)  ( -0.738,   1.381,   1.027)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.849,   2.766,   1.934)  (  0.849,   2.766,   1.934)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 15       ( -0.779,  -0.703,  -0.742)  ( -0.774,  -0.698,  -0.735)  ( 0.36,  0.34,  0.45)
177:     bond    ( 11.046, -27.491,   7.813)  ( 11.049, -27.488,   7.817)  ( 0.03,  0.01,  0.06)
177:     angle   (-13.695,  29.364,  -9.854)  (-13.693,  29.366,  -9.852)  ( 0.01,  0.01,  0.02)
177:     strbnd  ( -1.160,   1.909,  -1.027)  ( -1.161,   1.909,  -1.027)  ( 0.08,  0.04,  0.03)
177:     torsion (  0.502,  -0.879,  -1.143)  (  0.502,  -0.879,  -1.143)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.527,  -3.606,   3.470)  (  2.528,  -3.606,   3.470)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 16       ( -1.065,  -0.614,   1.036)  ( -1.061,  -0.609,   1.042)  ( 0.45,  0.30,  0.57)
177:     bond    ( -9.763,  20.766,  -9.836)  ( -9.759,  20.769,  -9.832)  ( 0.04,  0.02,  0.05)
177:     angle   (  9.857, -21.778,   9.882)  (  9.859, -21.776,   9.884)  ( 0.02,  0.01,  0.02)
177:     strbnd  (  0.357,   0.332,   0.998)  (  0.356,   0.331,   0.998)  ( 0.03,  0.03,  0.03)
177:     torsion ( -0.978,   0.700,   0.353)  ( -0.978,   0.700,   0.353)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.539,  -0.634,  -0.360)  ( -0.539,  -0.634,  -0.360)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 17       ( -1.087,  -1.069,   0.177)  ( -1.083,  -1.064,   0.183)  ( 0.43,  0.46,  0.10)
177:     bond    ( -1.901, -13.454,  13.464)  ( -1.897, -13.450,  13.468)  ( 0.18,  0.03,  0.03)
177:     angle   (  1.193,   9.826, -16.679)  (  1.195,   9.828, -16.677)  ( 0.18,  0.02,  0.01)
177:     strbnd  ( -3.337,   0.795,   1.409)  ( -3.338,   0.794,   1.408)  ( 0.03,  0.08,  0.02)
177:     torsion (  0.974,   1.005,   1.909)  (  0.974,   1.005,   1.909)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.983,   0.759,   0.074)  (  1.983,   0.759,   0.074)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 18       ( -0.972,  -1.131,   0.537)  ( -0.966,  -1.126,   0.543)  ( 0.57,  0.45,  0.31)
177:     bond    (  8.970,  -7.168,  -3.472)  (  8.974,  -7.164,  -3.467)  ( 0.05,  0.06,  0.13)
177:     angle   ( -7.660,   2.779,   4.648)  ( -7.658,   2.781,   4.650)  ( 0.02,  0.07,  0.04)
177:     strbnd  ( -0.534,  -1.586,   1.106)  ( -0.535,  -1.587,   1.106)  ( 0.03,  0.05,  0.04)
177:     torsion ( -0.534,  -0.161,  -0.695)  ( -0.534,  -0.161,  -0.695)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.214,   5.005,  -1.050)  ( -1.214,   5.005,  -1.050)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 19       ( -0.892,  -1.390,  -0.413)  ( -0.887,  -1.384,  -0.407)  ( 0.44,  0.43,  0.23)
177:     bond    (-14.431,   0.239,  -5.354)  (-14.427,   0.243,  -5.350)  ( 0.03,  0.11,  0.08)
177:     angle   (  5.190,  -0.465,   6.381)  (  5.192,  -0.463,   6.382)  ( 0.04,  0.09,  0.03)
177:     strbnd  (  2.347,  -0.745,   1.442)  (  2.346,  -0.746,   1.441)  ( 0.04,  0.03,  0.03)
177:     torsion (  0.871,  -0.786,  -1.907)  (  0.871,  -0.786,  -1.907)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.131,   0.367,  -0.974)  (  5.131,   0.367,  -0.974)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       ( -1.255,   0.127,  -0.110)  ( -1.249,   0.133,  -0.106)  ( 0.48,  0.08,  0.05)
177:     bond    (  4.252,  -7.565,  15.329)  (  4.256,  -7.560,  15.333)  ( 0.11,  0.06,  0.03)
177:     angle   (  1.408,   3.130,  -7.552)  (  1.409,   3.132,  -7.550)  ( 0.13,  0.06,  0.03)
177:     strbnd  (  0.392,   0.525,  -4.232)  (  0.392,   0.524,  -4.233)  ( 0.02,  0.03,  0.02)
177:     torsion ( -2.747,   1.008,   0.725)  ( -2.747,   1.008,   0.725)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.560,   3.029,  -4.380)  ( -4.560,   3.029,  -4.380)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 21       (  0.264,   0.125,  -0.017)  (  0.269,   0.129,  -0.012)  ( 0.13,  0.06,  0.01)
177:     bond    ( 20.008,  -3.510,  -2.218)  ( 20.012,  -3.507,  -2.215)  ( 0.02,  0.09,  0.15)
177:     angle   (-15.231,  -7.030,   0.649)  (-15.229,  -7.028,   0.651)  ( 0.01,  0.03,  0.15)
177:     strbnd  ( -8.351,  11.149,   4.002)  ( -8.352,  11.148,   4.001)  ( 0.01,  0.01,  0.02)
177:     torsion (  1.984,  -2.010,  -1.712)  (  1.984,  -2.010,  -1.712)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.854,   1.526,  -0.737)  (  1.854,   1.526,  -0.737)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       (  0.427,   0.342,  -0.042)  (  0.433,   0.348,  -0.037)  ( 0.25,  0.20,  0.02)
177:     bond    (  4.959,  -8.811, -19.046)  (  4.964,  -8.806, -19.042)  ( 0.09,  0.05,  0.02)
177:     angle   ( -3.781,   3.630,  13.839)  ( -3.779,   3.632,  13.841)  ( 0.05,  0.05,  0.01)
177:     strbnd  (  1.990,  -1.284,  -2.382)  (  1.989,  -1.285,  -2.383)  ( 0.02,  0.04,  0.04)
177:     torsion ( -0.424,  -0.578,   0.131)  ( -0.424,  -0.578,   0.131)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.317,   7.386,   7.417)  ( -2.317,   7.386,   7.417)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       (  0.262,   0.237,   0.013)  (  0.267,   0.243,   0.019)  ( 0.12,  0.14,  0.01)
177:     bond    ( -9.101, -14.027,  14.486)  ( -9.097, -14.023,  14.490)  ( 0.04,  0.03,  0.03)
177:     angle   ( 10.251,   5.425, -14.704)  ( 10.253,   5.427, -14.702)  ( 0.02,  0.04,  0.01)
177:     strbnd  (  4.541,  -0.227,   0.888)  (  4.540,  -0.227,   0.888)  ( 0.02,  0.01,  0.06)
177:     torsion ( -1.610,   3.720,   3.452)  ( -1.610,   3.720,   3.452)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.819,   5.346,  -4.109)  ( -3.819,   5.346,  -4.109)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       (  0.357,   0.362,   0.364)  (  0.362,   0.367,   0.370)  ( 0.18,  0.17,  0.22)
177:     bond    ( 21.264, -13.824,  -2.826)  ( 21.268, -13.820,  -2.821)  ( 0.02,  0.03,  0.16)
177:     angle   (-16.268,  12.918,  11.920)  (-16.266,  12.920,  11.922)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -2.042,  -2.702,   2.306)  ( -2.043,  -2.703,   2.305)  ( 0.04,  0.04,  0.01)
177:     torsion (  0.242,  -0.309,  -3.665)  (  0.242,  -0.309,  -3.665)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.840,   4.280,  -7.371)  ( -2.839,   4.280,  -7.371)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       (  0.298,   0.643,   0.076)  (  0.302,   0.648,   0.081)  ( 0.13,  0.32,  0.04)
177:     bond    (-17.007,  -1.605,  19.177)  (-17.004,  -1.602,  19.181)  ( 0.02,  0.21,  0.02)
177:     angle   ( 20.289, -11.578, -20.050)  ( 20.291, -11.576, -20.048)  ( 0.01,  0.02,  0.01)
177:     strbnd  (  0.219,   4.268,  -0.478)  (  0.218,   4.267,  -0.478)  ( 0.02,  0.02,  0.02)
177:     torsion ( -1.834,   2.984,   4.550)  ( -1.834,   2.984,   4.550)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.369,   6.574,  -3.124)  ( -1.369,   6.574,  -3.124)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       (  1.237,  -0.464,   0.129)  (  1.240,  -0.447,   0.209)  ( 0.28,  0.80,  1.04)
177:     bond    ( 15.847,  -1.098,  -7.962)  ( 15.850,  -1.095,  -7.959)  ( 0.02,  0.29,  0.04)
177:     angle   (-11.285,  -1.723,  11.202)  (-11.283,  -1.722,  11.203)  ( 0.02,  0.12,  0.02)
177:     strbnd  ( -2.536,   2.403,   1.664)  ( -2.537,   2.402,   1.663)  ( 0.03,  0.03,  0.04)
177:     torsion (  1.195,  -2.901,  -3.945)  (  1.195,  -2.901,  -3.945)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.005,  -0.076,  -0.452)  (  0.004,  -0.063,  -0.376)  ( 0.00,  0.10,  3.40)
177:     vdw     ( -1.368,   2.242,  -0.525)  ( -1.367,   2.242,  -0.525)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.621,   0.690,   0.148)  ( -0.621,   0.690,   0.148)  ( 0.00,  0.00,  0.00)
177: 27       (  0.236,   0.612,   0.037)  (  0.242,   0.618,   0.042)  ( 0.14,  0.35,  0.02)
177:     bond    (  5.055, -10.233, -17.302)  (  5.059, -10.229, -17.298)  ( 0.09,  0.04,  0.02)
177:     angle   ( -3.183,   7.842,  10.800)  ( -3.181,   7.843,  10.802)  ( 0.06,  0.02,  0.02)
177:     strbnd  (  1.203,   0.907,  -0.607)  (  1.203,   0.907,  -0.608)  ( 0.04,  0.05,  0.06)
177:     torsion ( -0.959,  -0.405,  -0.114)  ( -0.959,  -0.405,  -0.114)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.881,   2.501,   7.260)  ( -1.880,   2.501,   7.260)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 28       (  0.896,  -0.479,  -0.925)  (  0.900,  -0.477,  -0.920)  ( 0.38,  0.08,  0.45)
177:     bond    (  7.820,   3.623,  -3.208)  (  7.824,   3.624,  -3.204)  ( 0.05,  0.03,  0.12)
177:     angle   ( -2.167,   1.247,   4.426)  ( -2.166,   1.247,   4.428)  ( 0.01,  0.03,  0.03)
177:     strbnd  (  0.310,   0.219,   0.140)  (  0.310,   0.219,   0.140)  ( 0.00,  0.00,  0.01)
177:     torsion (  0.871,  -2.454,  -0.635)  (  0.871,  -2.454,  -0.635)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.614,  -2.920,  -1.379)  ( -3.614,  -2.920,  -1.379)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.324,  -0.193,  -0.270)  ( -2.323,  -0.193,  -0.270)  ( 0.00,  0.00,  0.00)
177: 29       (  0.408,   0.492,   0.031)  (  0.409,   0.493,   0.034)  ( 0.03,  0.06,  0.01)
177:     bond    ( -1.093,   2.730,   5.745)  ( -1.093,   2.731,   5.748)  ( 0.01,  0.02,  0.04)
177:     angle   ( -0.447,  -1.804,   0.772)  ( -0.446,  -1.803,   0.772)  ( 0.03,  0.03,  0.01)
177:     strbnd  ( -0.651,  -1.825,  -2.101)  ( -0.651,  -1.825,  -2.101)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.322,  -0.173,   0.334)  (  1.322,  -0.173,   0.334)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.277,   1.563,  -4.719)  (  1.277,   1.563,  -4.719)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       (  0.503,   0.033,   0.106)  (  0.504,   0.034,   0.109)  ( 0.04,  0.00,  0.03)
177:     bond    (  0.388,  -0.566,  -1.877)  (  0.388,  -0.566,  -1.874)  ( 0.01,  0.02,  0.16)
177:     angle   ( -1.222,   1.435,  -0.686)  ( -1.222,   1.436,  -0.686)  ( 0.05,  0.04,  0.00)
177:     strbnd  ( -0.562,   0.515,   1.009)  ( -0.562,   0.515,   1.009)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.037,   0.246,  -0.289)  ( -1.037,   0.246,  -0.289)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.936,  -1.598,   1.950)  (  2.936,  -1.598,   1.950)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 31       (  0.438,   0.182,   0.134)  (  0.439,   0.183,   0.137)  ( 0.04,  0.02,  0.04)
177:     bond    ( -1.114,   1.979,   6.032)  ( -1.114,   1.980,   6.035)  ( 0.01,  0.02,  0.05)
177:     angle   ( -0.690,   1.900,  -0.751)  ( -0.689,   1.901,  -0.751)  ( 0.04,  0.03,  0.01)
177:     strbnd  (  0.022,  -0.078,  -2.039)  (  0.022,  -0.078,  -2.039)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.783,   1.067,  -0.206)  (  0.783,   1.067,  -0.206)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.437,  -4.688,  -2.903)  (  1.437,  -4.687,  -2.903)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 32       (  1.763,   0.235,  -0.010)  (  1.764,   0.236,  -0.007)  ( 0.05,  0.03,  0.00)
177:     bond    ( -0.495,   1.091,   2.241)  ( -0.495,   1.092,   2.244)  ( 0.01,  0.06,  0.12)
177:     angle   ( -0.145,   0.135,  -0.098)  ( -0.144,   0.135,  -0.098)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -0.003,  -0.325,  -0.202)  ( -0.003,  -0.325,  -0.202)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.861,   0.535,   0.150)  (  1.861,   0.535,   0.150)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.545,  -1.202,  -2.101)  (  0.545,  -1.202,  -2.101)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 33       (  0.648,   0.036,  -0.155)  (  0.650,   0.037,  -0.153)  ( 0.11,  0.00,  0.03)
177:     bond    (  2.130,  -0.511,   2.443)  (  2.132,  -0.511,   2.445)  ( 0.07,  0.00,  0.08)
177:     angle   (  2.580,  -0.905,  -2.439)  (  2.580,  -0.904,  -2.439)  ( 0.01,  0.05,  0.01)
177:     strbnd  ( -0.613,   0.221,  -1.607)  ( -0.613,   0.221,  -1.607)  ( 0.00,  0.00,  0.00)
177:     torsion ( -2.226,   0.124,   1.967)  ( -2.226,   0.125,   1.967)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.223,   1.107,  -0.518)  ( -1.223,   1.107,  -0.518)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 34       (  0.623,  -0.025,  -0.099)  (  0.624,  -0.024,  -0.096)  ( 0.07,  0.00,  0.02)
177:     bond    (  1.205,  -1.083,  -2.206)  (  1.205,  -1.082,  -2.204)  ( 0.05,  0.05,  0.10)
177:     angle   (  4.429,  -0.679,   2.755)  (  4.430,  -0.679,   2.755)  ( 0.01,  0.03,  0.01)
177:     strbnd  ( -0.025,   0.560,   1.229)  ( -0.025,   0.560,   1.229)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.189,  -0.747,  -0.284)  ( -1.189,  -0.747,  -0.284)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.797,   1.923,  -1.593)  ( -3.797,   1.923,  -1.593)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 35       (  0.727,   0.236,   0.113)  (  0.728,   0.237,   0.115)  ( 0.07,  0.02,  0.03)
177:     bond    ( -1.135,   1.111,   3.160)  ( -1.134,   1.111,   3.163)  ( 0.03,  0.03,  0.08)
177:     angle   (  2.191,   0.137,   0.737)  (  2.191,   0.138,   0.737)  ( 0.03,  0.01,  0.01)
177:     strbnd  (  1.028,  -1.182,  -0.643)  (  1.028,  -1.182,  -0.643)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.059,  -1.190,   0.439)  (  0.059,  -1.190,   0.439)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.416,   1.359,  -3.581)  ( -1.416,   1.359,  -3.581)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 36       (  0.488,   0.270,  -0.116)  (  0.489,   0.274,  -0.116)  ( 0.04,  0.09,  0.01)
177:     bond    (  0.456,  -2.299,   0.220)  (  0.456,  -2.296,   0.220)  ( 0.01,  0.14,  0.00)
177:     angle   (  2.467,   0.624,   1.393)  (  2.468,   0.624,   1.393)  ( 0.02,  0.00,  0.04)
177:     strbnd  (  0.024,   1.326,   0.945)  (  0.024,   1.326,   0.945)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.177,  -0.003,  -0.400)  (  0.177,  -0.003,  -0.399)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.636,   0.622,  -2.274)  ( -2.636,   0.622,  -2.274)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 37       (  0.151,   1.287,   0.431)  (  0.152,   1.288,   0.434)  ( 0.02,  0.05,  0.13)
177:     bond    (  1.073,  -0.388,  -2.975)  (  1.074,  -0.388,  -2.972)  ( 0.04,  0.00,  0.10)
177:     angle   ( -0.794,   2.840,  -0.658)  ( -0.793,   2.841,  -0.658)  ( 0.04,  0.02,  0.00)
177:     strbnd  ( -0.284,   0.981,   1.653)  ( -0.284,   0.981,   1.653)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.057,  -0.640,  -0.298)  ( -1.057,  -0.640,  -0.298)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.212,  -1.506,   2.709)  (  1.212,  -1.506,   2.709)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 38       (  0.339,   0.476,   1.257)  (  0.340,   0.479,   1.258)  ( 0.03,  0.15,  0.04)
177:     bond    ( -0.805,   4.071,   0.318)  ( -0.805,   4.074,   0.318)  ( 0.01,  0.08,  0.00)
177:     angle   (  5.353,   1.181,  -1.582)  (  5.354,   1.181,  -1.581)  ( 0.01,  0.00,  0.03)
177:     strbnd  (  0.930,  -1.391,  -0.658)  (  0.930,  -1.391,  -0.658)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.899,  -0.571,   2.506)  ( -1.899,  -0.571,   2.506)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.240,  -2.814,   0.673)  ( -3.240,  -2.814,   0.673)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 39       (  0.197,   1.934,  -0.224)  (  0.197,   1.941,  -0.201)  ( 0.01,  0.38,  0.52)
177:     bond    ( -0.322,   6.022,  -1.065)  ( -0.322,   6.026,  -1.065)  ( 0.00,  0.06,  0.01)
177:     angle   ( -3.546,  -0.243,  -0.303)  ( -3.546,  -0.243,  -0.303)  ( 0.02,  0.00,  0.00)
177:     strbnd  (  0.529,  -2.091,   0.417)  (  0.529,  -2.091,   0.417)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.017,   0.060,   0.336)  (  0.017,   0.060,   0.337)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.010,  -0.029,  -0.170)  (  0.009,  -0.026,  -0.147)  ( 0.00,  0.01,  0.39)
177:     vdw     (  2.635,  -1.088,   0.220)  (  2.635,  -1.088,   0.220)  ( 0.00,  0.00,  0.00)
177:     electro (  0.875,  -0.697,   0.340)  (  0.875,  -0.697,   0.340)  ( 0.00,  0.00,  0.00)
177: 40       (  0.840,  -0.019,  -0.312)  (  0.841,  -0.018,  -0.309)  ( 0.11,  0.00,  0.07)
177:     bond    ( -1.264,   0.699,  -1.919)  ( -1.263,   0.699,  -1.917)  ( 0.07,  0.02,  0.11)
177:     angle   (  0.476,   0.291,  -0.208)  (  0.477,   0.292,  -0.208)  ( 0.02,  0.02,  0.00)
177:     strbnd  (  0.323,   0.150,   1.507)  (  0.323,   0.150,   1.507)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.949,   0.716,  -0.364)  (  0.949,   0.716,  -0.364)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.355,  -1.875,   0.672)  (  0.355,  -1.875,   0.672)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 41       (  0.302,   0.253,  -0.644)  (  0.303,   0.254,  -0.641)  ( 0.04,  0.02,  0.15)
177:     bond    ( -1.052,   0.652,   1.694)  ( -1.051,   0.653,   1.696)  ( 0.08,  0.02,  0.13)
177:     angle   (  1.336,   3.153,  -0.385)  (  1.337,   3.153,  -0.384)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.202,   0.175,  -1.360)  (  0.202,   0.175,  -1.360)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.348,  -0.299,  -0.101)  ( -0.348,  -0.299,  -0.101)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.164,  -3.428,  -0.491)  (  0.164,  -3.428,  -0.491)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 42       (  0.242,  -0.051,   0.087)  (  0.243,  -0.051,   0.090)  ( 0.02,  0.00,  0.03)
177:     bond    (  0.344,   0.091,  -1.789)  (  0.344,   0.091,  -1.786)  ( 0.00,  0.00,  0.18)
177:     angle   ( -2.274,   1.718,  -0.351)  ( -2.274,   1.718,  -0.351)  ( 0.02,  0.03,  0.00)
177:     strbnd  (  0.055,   0.966,   0.467)  (  0.055,   0.966,   0.467)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.347,   0.529,   0.094)  (  0.347,   0.529,   0.094)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.770,  -3.355,   1.666)  (  1.770,  -3.355,   1.666)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 43       (  0.647,   0.422,  -0.099)  (  0.648,   0.424,  -0.099)  ( 0.07,  0.12,  0.01)
177:     bond    ( -0.598,   1.361,   0.419)  ( -0.597,   1.363,   0.420)  ( 0.03,  0.19,  0.01)
177:     angle   (  0.254,   1.061,  -3.086)  (  0.255,   1.061,  -3.085)  ( 0.01,  0.01,  0.02)
177:     strbnd  (  0.585,   0.274,  -0.771)  (  0.585,   0.274,  -0.771)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.431,  -0.894,   2.291)  ( -0.431,  -0.894,   2.291)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.837,  -1.379,   1.046)  (  0.837,  -1.379,   1.046)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 44       ( -0.948,   0.980,   0.797)  ( -0.947,   0.982,   0.799)  ( 0.08,  0.11,  0.21)
177:     bond    ( -0.079,  -0.094,  -0.209)  ( -0.078,  -0.094,  -0.207)  ( 0.00,  0.00,  0.05)
177:     angle   ( -1.561,   3.754,  -1.115)  ( -1.561,   3.755,  -1.115)  ( 0.03,  0.01,  0.01)
177:     strbnd  ( -1.025,   0.299,   0.384)  ( -1.025,   0.299,   0.384)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.309,  -1.025,   0.349)  (  0.309,  -1.025,   0.349)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.408,  -1.954,   1.389)  (  1.408,  -1.954,   1.389)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 45       (  0.684,   0.907,   1.369)  (  0.687,   0.908,   1.370)  ( 0.16,  0.08,  0.09)
177:     bond    ( -1.901,   0.820,   1.194)  ( -1.899,   0.820,   1.195)  ( 0.11,  0.03,  0.07)
177:     angle   ( -0.217,  -0.147,  -0.244)  ( -0.216,  -0.146,  -0.243)  ( 0.00,  0.01,  0.01)
177:     strbnd  ( -0.303,  -0.559,  -1.117)  ( -0.303,  -0.559,  -1.117)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.043,   1.144,   0.873)  (  1.043,   1.144,   0.873)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.062,  -0.352,   0.663)  (  2.062,  -0.352,   0.663)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 46       (  0.367,  -0.348,   0.007)  (  0.368,  -0.346,   0.010)  ( 0.03,  0.04,  0.00)
177:     bond    ( -0.743,   1.942,   5.648)  ( -0.743,   1.943,   5.651)  ( 0.01,  0.02,  0.05)
177:     angle   ( -0.834,   2.429,  -0.945)  ( -0.833,   2.430,  -0.945)  ( 0.05,  0.03,  0.01)
177:     strbnd  ( -0.401,  -0.284,  -2.968)  ( -0.401,  -0.284,  -2.968)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.439,  -1.217,   0.361)  ( -0.439,  -1.217,   0.361)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.784,  -3.218,  -2.089)  (  2.784,  -3.218,  -2.089)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 47       (  0.015,  -0.265,   0.203)  (  0.016,  -0.264,   0.204)  ( 0.00,  0.04,  0.03)
177:     bond    (  0.405,  -0.387,  -0.424)  (  0.406,  -0.386,  -0.423)  ( 0.05,  0.04,  0.05)
177:     angle   ( -2.172,  -2.780,   0.450)  ( -2.171,  -2.779,   0.451)  ( 0.02,  0.01,  0.02)
177:     strbnd  ( -0.734,   0.044,   1.793)  ( -0.734,   0.044,   1.793)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.276,  -0.075,  -0.196)  ( -0.276,  -0.075,  -0.196)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.791,   2.933,  -1.421)  (  2.791,   2.933,  -1.421)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 48       ( -0.723,  -0.153,  -2.370)  ( -0.721,  -0.151,  -2.369)  ( 0.12,  0.03,  0.05)
177:     bond    ( -0.977,   1.037,   0.786)  ( -0.976,   1.038,   0.787)  ( 0.12,  0.13,  0.06)
177:     angle   ( -0.242,   0.074,  -0.397)  ( -0.241,   0.074,  -0.397)  ( 0.01,  0.00,  0.01)
177:     strbnd  (  0.015,  -0.149,  -2.101)  (  0.015,  -0.149,  -2.101)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.303,   0.391,  -0.890)  ( -0.303,   0.391,  -0.890)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.783,  -1.505,   0.233)  (  0.783,  -1.505,   0.233)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 49       (  0.608,  -1.419,  -1.523)  (  0.609,  -1.418,  -1.520)  ( 0.04,  0.06,  0.21)
177:     bond    ( -0.234,   0.800,  -3.501)  ( -0.234,   0.800,  -3.498)  ( 0.00,  0.01,  0.09)
177:     angle   ( -0.364,  -2.283,  -0.498)  ( -0.363,  -2.283,  -0.498)  ( 0.02,  0.02,  0.00)
177:     strbnd  ( -1.308,   0.802,   1.925)  ( -1.308,   0.802,   1.925)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.209,  -1.267,  -0.371)  (  1.209,  -1.267,  -0.371)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.305,   0.529,   0.922)  (  1.305,   0.529,   0.922)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 50       ( -1.926,  -0.688,  -1.325)  ( -1.925,  -0.687,  -1.323)  ( 0.05,  0.11,  0.15)
177:     bond    (  1.132,  -1.684,  -2.127)  (  1.132,  -1.683,  -2.125)  ( 0.04,  0.07,  0.08)
177:     angle   ( -0.386,   0.713,  -0.771)  ( -0.386,   0.714,  -0.771)  ( 0.02,  0.03,  0.02)
177:     strbnd  ( -0.234,  -0.477,   1.916)  ( -0.234,  -0.478,   1.916)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.839,   0.814,  -1.092)  ( -0.839,   0.814,  -1.092)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.600,  -0.054,   0.749)  ( -1.600,  -0.054,   0.749)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 51       (  0.141,  -0.997,  -1.237)  (  0.142,  -0.996,  -1.234)  ( 0.01,  0.10,  0.23)
177:     bond    ( -0.459,   0.602,  -1.366)  ( -0.459,   0.603,  -1.364)  ( 0.01,  0.03,  0.19)
177:     angle   ( -4.840,  -2.593,   0.483)  ( -4.839,  -2.592,   0.483)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -0.066,  -0.914,  -1.669)  ( -0.066,  -0.914,  -1.669)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.609,  -0.569,  -0.456)  (  0.609,  -0.569,  -0.456)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.897,   2.477,   1.772)  (  4.897,   2.477,   1.772)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 52       ( -2.339,   0.741,   1.932)  ( -2.338,   0.742,   1.935)  ( 0.04,  0.05,  0.15)
177:     bond    ( -0.579,   0.431,  -1.609)  ( -0.579,   0.431,  -1.606)  ( 0.02,  0.01,  0.17)
177:     angle   ( -0.609,   2.084,   0.779)  ( -0.609,   2.085,   0.779)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.098,   0.859,   1.399)  (  0.098,   0.859,   1.399)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.384,  -0.338,   0.048)  ( -0.384,  -0.338,   0.048)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.864,  -2.295,   1.315)  ( -0.864,  -2.295,   1.315)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 53       (  0.056,  -1.491,   2.539)  (  0.057,  -1.489,   2.541)  ( 0.01,  0.13,  0.06)
177:     bond    ( -1.594,   2.825,   2.595)  ( -1.593,   2.827,   2.597)  ( 0.03,  0.05,  0.05)
177:     angle   ( -1.514,  -2.295,   1.569)  ( -1.514,  -2.295,   1.569)  ( 0.03,  0.01,  0.02)
177:     strbnd  (  0.494,  -0.602,  -2.308)  (  0.494,  -0.602,  -2.308)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.240,  -0.042,   0.806)  (  1.240,  -0.042,   0.806)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.431,  -1.377,  -0.123)  (  1.431,  -1.377,  -0.123)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 54       ( -1.751,  -1.353,   0.152)  ( -1.750,  -1.352,   0.155)  ( 0.04,  0.06,  0.05)
177:     bond    ( -0.353,   0.090,   4.018)  ( -0.353,   0.090,   4.021)  ( 0.00,  0.00,  0.08)
177:     angle   ( -0.173,  -0.584,  -0.002)  ( -0.173,  -0.583,  -0.002)  ( 0.01,  0.04,  0.00)
177:     strbnd  (  0.100,  -0.938,  -1.958)  (  0.100,  -0.938,  -1.958)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.477,  -0.328,  -0.122)  ( -1.476,  -0.328,  -0.122)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.153,   0.407,  -1.784)  (  0.153,   0.407,  -1.784)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 55       ( -0.691,  -0.566,  -0.526)  ( -0.688,  -0.566,  -0.525)  ( 0.22,  0.04,  0.04)
177:     bond    ( -0.658,  -0.057,  -0.193)  ( -0.655,  -0.057,  -0.193)  ( 0.21,  0.00,  0.01)
177:     angle   (  0.205,  -4.548,   0.655)  (  0.205,  -4.547,   0.655)  ( 0.00,  0.01,  0.03)
177:     strbnd  ( -0.169,  -0.573,  -0.356)  ( -0.169,  -0.573,  -0.356)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.064,   0.110,  -0.250)  (  0.064,   0.110,  -0.250)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.132,   4.501,  -0.381)  ( -0.132,   4.502,  -0.381)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 56       ( -1.939,  -2.205,   0.809)  ( -1.938,  -2.204,   0.812)  ( 0.03,  0.03,  0.27)
177:     bond    ( -0.033,  -0.223,  -1.036)  ( -0.033,  -0.223,  -1.033)  ( 0.00,  0.00,  0.31)
177:     angle   (  0.267,  -3.200,   0.682)  (  0.267,  -3.200,   0.682)  ( 0.01,  0.02,  0.00)
177:     strbnd  (  0.445,  -0.392,   0.323)  (  0.445,  -0.392,   0.323)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.267,  -0.189,   0.049)  ( -0.267,  -0.189,   0.049)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.350,   1.799,   0.791)  ( -2.350,   1.799,   0.791)  ( 0.00,  0.00,  0.00)
177/223 Test #178: test_ffmmff94_4 ..................   Passed    0.41 sec
test 179
        Start 179: test_ffmmff94_5

179: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ffmmff94" "5"
179: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
179: Environment variables: 
179:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
179:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
179: Test timeout computed to be: 1500
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 57       ( -0.222,  -0.711,   1.702)  ( -0.221,  -0.708,   1.703)  ( 0.02,  0.16,  0.07)
177:     bond    ( -1.423,  -3.015,   1.849)  ( -1.423,  -3.013,   1.849)  ( 0.03,  0.07,  0.04)
177:     angle   (  1.191,  -0.586,  -0.038)  (  1.192,  -0.586,  -0.038)  ( 0.04,  0.01,  0.00)
177:     strbnd  (  0.927,   0.636,  -0.840)  (  0.927,   0.636,  -0.840)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.670,   0.208,   0.854)  (  0.670,   0.208,   0.854)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.587,   2.046,  -0.123)  ( -1.587,   2.046,  -0.123)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 58       ( -1.065,  -1.279,  -1.213)  ( -1.063,  -1.277,  -1.212)  ( 0.14,  0.19,  0.05)
177:     bond    ( -0.341,   0.461,   0.108)  ( -0.340,   0.463,   0.108)  ( 0.04,  0.10,  0.00)
177:     angle   ( -2.386,  -1.529,  -0.965)  ( -2.386,  -1.529,  -0.964)  ( 0.01,  0.01,  0.04)
177:     strbnd  ( -0.455,  -0.647,  -0.480)  ( -0.455,  -0.647,  -0.480)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.014,   0.020,  -0.041)  (  0.014,   0.020,  -0.041)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.104,   0.416,   0.164)  (  2.104,   0.416,   0.164)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 59       ( -1.070,  -1.140,  -0.343)  ( -1.069,  -1.138,  -0.342)  ( 0.10,  0.20,  0.03)
177:     bond    ( -1.369,  -2.487,   1.248)  ( -1.368,  -2.484,   1.248)  ( 0.05,  0.09,  0.04)
177:     angle   ( -1.624,   0.072,  -1.636)  ( -1.623,   0.072,  -1.636)  ( 0.03,  0.00,  0.03)
177:     strbnd  ( -0.372,   0.804,  -0.765)  ( -0.372,   0.804,  -0.765)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.290,   0.448,   0.574)  ( -0.290,   0.448,   0.574)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.584,   0.022,   0.237)  (  2.584,   0.022,   0.237)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 60       ( -0.358,  -1.910,  -0.423)  ( -0.357,  -1.909,  -0.420)  ( 0.02,  0.03,  0.14)
177:     bond    (  0.061,  -0.358,  -2.470)  (  0.061,  -0.358,  -2.467)  ( 0.00,  0.00,  0.13)
177:     angle   ( -2.334,  -1.222,   0.119)  ( -2.334,  -1.222,   0.119)  ( 0.02,  0.04,  0.00)
177:     strbnd  ( -0.879,   0.068,   0.565)  ( -0.879,   0.068,   0.565)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.016,  -0.218,   0.032)  (  0.016,  -0.218,   0.032)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.778,  -0.179,   1.331)  (  2.778,  -0.179,   1.331)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 61       ( -1.170,  -0.189,   0.037)  ( -1.168,  -0.188,   0.038)  ( 0.25,  0.01,  0.00)
177:     bond    ( -0.428,  -0.103,  -0.175)  ( -0.426,  -0.103,  -0.175)  ( 0.12,  0.00,  0.01)
177:     angle   ( -0.331,  -3.245,   2.709)  ( -0.331,  -3.244,   2.710)  ( 0.00,  0.01,  0.02)
177:     strbnd  ( -0.890,  -0.655,   0.505)  ( -0.890,  -0.655,   0.505)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.146,   0.349,   0.151)  ( -0.146,   0.349,   0.152)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.626,   3.464,  -3.153)  (  0.626,   3.464,  -3.153)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 62       ( -1.757,   0.318,   0.260)  ( -1.756,   0.322,   0.261)  ( 0.03,  0.11,  0.02)
177:     bond    (  0.021,   0.242,  -0.008)  (  0.021,   0.246,  -0.008)  ( 0.00,  0.08,  0.00)
177:     angle   (  2.576,  -0.098,   3.676)  (  2.576,  -0.098,   3.677)  ( 0.02,  0.00,  0.01)
177:     strbnd  (  0.261,   0.641,   0.904)  (  0.261,   0.642,   0.904)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.156,  -0.106,  -0.183)  (  1.156,  -0.106,  -0.183)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.770,  -0.362,  -4.129)  ( -5.770,  -0.362,  -4.129)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 63       ( -1.163,   0.855,  -0.571)  ( -1.161,   0.856,  -0.570)  ( 0.16,  0.08,  0.09)
177:     bond    ( -1.786,   1.024,   1.583)  ( -1.785,   1.024,   1.584)  ( 0.09,  0.05,  0.08)
177:     angle   (  0.428,  -0.094,   0.542)  (  0.428,  -0.094,   0.543)  ( 0.01,  0.00,  0.02)
177:     strbnd  (  0.673,  -0.673,   0.446)  (  0.673,  -0.673,   0.446)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.227,  -0.276,  -0.077)  ( -0.227,  -0.276,  -0.077)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.250,   0.874,  -3.065)  ( -0.250,   0.874,  -3.065)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 64       (  0.790,  -0.989,   0.790)  (  0.793,  -0.989,   0.791)  ( 0.25,  0.06,  0.06)
177:     bond    (  0.666,   0.107,  -0.162)  (  0.670,   0.108,  -0.162)  ( 0.21,  0.00,  0.00)
177:     angle   ( -0.821,  -2.989,  -5.388)  ( -0.821,  -2.989,  -5.387)  ( 0.00,  0.02,  0.01)
177:     strbnd  ( -1.303,  -0.763,  -0.758)  ( -1.303,  -0.763,  -0.758)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.159,  -0.563,   0.283)  (  0.159,  -0.563,   0.283)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.089,   3.218,   6.815)  (  2.089,   3.218,   6.815)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 65       (  1.612,   1.583,  -0.244)  (  1.613,   1.584,  -0.242)  ( 0.09,  0.07,  0.05)
177:     bond    ( -0.305,   0.226,  -0.426)  ( -0.304,   0.227,  -0.424)  ( 0.03,  0.01,  0.08)
177:     angle   (  3.626,  -2.262,  -3.808)  (  3.626,  -2.262,  -3.808)  ( 0.01,  0.02,  0.01)
177:     strbnd  (  0.994,  -1.017,  -0.192)  (  0.994,  -1.017,  -0.192)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.256,   0.264,  -0.043)  (  0.256,   0.264,  -0.043)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.959,   4.372,   4.225)  ( -2.958,   4.372,   4.225)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 66       ( -1.078,   0.552,  -0.760)  ( -1.078,   0.556,  -0.759)  ( 0.06,  0.19,  0.05)
177:     bond    (  0.016,   0.113,   0.003)  (  0.016,   0.116,   0.003)  ( 0.00,  0.04,  0.00)
177:     angle   (  2.563,  -0.264,  -3.412)  (  2.563,  -0.264,  -3.411)  ( 0.02,  0.00,  0.02)
177:     strbnd  (  0.510,   0.950,  -1.109)  (  0.510,   0.950,  -1.109)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.450,   0.067,  -0.151)  ( -0.450,   0.067,  -0.151)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.718,  -0.314,   3.909)  ( -3.717,  -0.314,   3.909)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 67       (  0.335,   0.250,   0.082)  (  0.336,   0.253,   0.082)  ( 0.02,  0.08,  0.00)
177:     bond    (  0.214,  -2.095,   0.090)  (  0.214,  -2.092,   0.090)  ( 0.00,  0.16,  0.00)
177:     angle   (  1.574,   0.246,   1.978)  (  1.575,   0.246,   1.979)  ( 0.04,  0.00,  0.03)
177:     strbnd  ( -0.777,   1.004,   0.844)  ( -0.777,   1.004,   0.844)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.181,  -0.026,  -1.050)  (  0.181,  -0.026,  -1.050)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.857,   1.121,  -1.781)  ( -0.857,   1.121,  -1.781)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 68       (  0.121,   0.190,   0.044)  (  0.122,   0.191,   0.047)  ( 0.01,  0.02,  0.01)
177:     bond    ( -0.946,   0.945,   2.916)  ( -0.946,   0.945,   2.919)  ( 0.03,  0.03,  0.09)
177:     angle   (  2.086,  -0.263,   0.761)  (  2.086,  -0.263,   0.761)  ( 0.03,  0.01,  0.01)
177:     strbnd  (  0.013,  -1.433,  -0.930)  (  0.013,  -1.433,  -0.930)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.192,  -1.114,   0.423)  (  0.192,  -1.114,   0.423)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.224,   2.055,  -3.126)  ( -1.224,   2.055,  -3.126)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 69       (  0.670,   0.306,   0.584)  (  0.671,   0.308,   0.587)  ( 0.08,  0.04,  0.14)
177:     bond    ( -0.089,   0.102,   0.156)  ( -0.088,   0.103,   0.158)  ( 0.01,  0.01,  0.03)
177:     angle   (  0.439,  -2.980,   2.180)  (  0.440,  -2.979,   2.180)  ( 0.02,  0.02,  0.01)
177:     strbnd  (  0.329,   0.312,   1.723)  (  0.329,   0.312,   1.723)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.972,  -0.601,   0.932)  (  0.972,  -0.601,   0.933)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.982,   3.473,  -4.407)  ( -0.982,   3.473,  -4.407)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 70       (  0.106,   0.582,   0.566)  (  0.107,   0.583,   0.568)  ( 0.02,  0.04,  0.13)
177:     bond    (  1.818,  -0.560,   2.482)  (  1.819,  -0.560,   2.484)  ( 0.06,  0.01,  0.08)
177:     angle   ( -0.401,  -1.568,  -0.060)  ( -0.400,  -1.567,  -0.060)  ( 0.01,  0.04,  0.00)
177:     strbnd  ( -0.251,  -0.339,  -2.165)  ( -0.251,  -0.339,  -2.165)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.175,   0.745,   1.028)  ( -1.175,   0.745,   1.028)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.115,   2.304,  -0.719)  (  0.115,   2.304,  -0.719)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 71       (  0.738,   0.197,   0.250)  (  0.741,   0.198,   0.251)  ( 0.20,  0.02,  0.02)
177:     bond    (  1.848,   0.749,  -0.682)  (  1.850,   0.749,  -0.682)  ( 0.14,  0.03,  0.02)
177:     angle   ( -0.676,  -2.968,  -5.094)  ( -0.676,  -2.967,  -5.094)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -1.187,  -1.166,  -0.503)  ( -1.187,  -1.166,  -0.503)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.213,  -0.324,   0.223)  (  0.213,  -0.324,   0.223)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.541,   3.906,   6.307)  (  0.541,   3.906,   6.307)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 72       (  0.699,   1.329,  -0.078)  (  0.701,   1.330,  -0.076)  ( 0.13,  0.05,  0.02)
177:     bond    ( -0.821,   0.235,  -0.916)  ( -0.820,   0.235,  -0.914)  ( 0.12,  0.00,  0.17)
177:     angle   (  3.757,  -0.301,  -3.447)  (  3.757,  -0.301,  -3.447)  ( 0.01,  0.01,  0.01)
177:     strbnd  (  1.187,  -0.802,  -0.115)  (  1.187,  -0.802,  -0.115)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.090,  -0.149,   0.042)  ( -0.090,  -0.149,   0.042)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.334,   2.346,   4.357)  ( -3.333,   2.346,   4.357)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 73       ( -0.259,   0.501,  -0.385)  ( -0.258,   0.505,  -0.385)  ( 0.01,  0.17,  0.02)
177:     bond    ( -0.024,   0.218,  -0.017)  ( -0.024,   0.221,  -0.017)  ( 0.00,  0.07,  0.00)
177:     angle   (  2.747,   0.023,  -3.607)  (  2.748,   0.023,  -3.606)  ( 0.02,  0.00,  0.02)
177:     strbnd  (  0.214,   0.580,  -1.173)  (  0.214,   0.580,  -1.173)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.122,  -0.015,  -0.032)  ( -0.122,  -0.015,  -0.032)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.075,  -0.304,   4.442)  ( -3.075,  -0.304,   4.443)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 74       (  0.198,   2.184,  -1.550)  (  0.200,   2.185,  -1.547)  ( 0.04,  0.04,  0.23)
177:     bond    ( -0.028,  -0.019,  -0.043)  ( -0.027,  -0.018,  -0.040)  ( 0.00,  0.00,  0.01)
177:     angle   (  2.217,   0.907,  -1.911)  (  2.217,   0.907,  -1.911)  ( 0.01,  0.00,  0.01)
177:     strbnd  (  0.644,   0.343,   0.113)  (  0.644,   0.343,   0.113)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.820,   1.602,  -0.191)  ( -0.820,   1.602,  -0.191)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.896,  -0.668,   0.650)  ( -1.896,  -0.668,   0.650)  ( 0.00,  0.00,  0.00)
177:     electro (  0.081,   0.018,  -0.168)  (  0.081,   0.018,  -0.168)  ( 0.00,  0.00,  0.00)
177: ok 22 # gradients 
177: ok 23 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( -0.188,  -0.096,  -0.051)  ( -0.199,  -0.052,  -0.005)  ( 0.20,  0.42,  0.24)
177:     bond    (  6.718,   6.276,  -0.511)  (  6.723,   6.283,  -0.510)  ( 0.07,  0.11,  0.05)
177:     angle   (  7.350,   2.161,   1.524)  (  7.352,   2.163,   1.524)  ( 0.02,  0.08,  0.00)
177:     strbnd  ( -5.562,  -3.003,  -0.620)  ( -5.562,  -3.004,  -0.620)  ( 0.00,  0.02,  0.00)
177:     torsion (  0.209,  -0.213,  -0.135)  (  0.209,  -0.213,  -0.134)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.102,  -0.210,  -0.295)  (  0.085,  -0.175,  -0.250)  ( 0.17,  0.74,  1.31)
177:     vdw     ( -9.274,  -5.085,  -0.061)  ( -9.274,  -5.085,  -0.061)  ( 0.00,  0.00,  0.00)
177:     electro (  0.268,  -0.021,   0.047)  (  0.268,  -0.021,   0.047)  ( 0.00,  0.00,  0.00)
177:  2       ( -0.463,   0.409,   1.503)  ( -0.406,   0.355,   1.294)  ( 2.62,  2.22, 13.86)
177:     bond    (  5.859,  -4.939,   3.180)  (  5.864,  -4.931,   3.182)  ( 0.09,  0.16,  0.04)
177:     angle   ( -5.582,   0.865,  -2.937)  ( -5.580,   0.867,  -2.937)  ( 0.03,  0.13,  0.01)
177:     strbnd  (  3.439,  -2.665,   1.582)  (  3.438,  -2.666,   1.582)  ( 0.02,  0.03,  0.00)
177:     torsion ( -0.645,   0.747,   3.059)  ( -0.645,   0.747,   3.060)  ( 0.01,  0.01,  0.04)
177:     oop     ( -0.337,   0.427,   1.409)  ( -0.287,   0.364,   1.198)  ( 1.69,  2.70, 14.97)
177:     vdw     ( -3.802,   4.778,  -4.508)  ( -3.801,   4.778,  -4.508)  ( 0.01,  0.00,  0.00)
177:     electro (  0.606,   1.196,  -0.282)  (  0.606,   1.196,  -0.282)  ( 0.00,  0.00,  0.00)
177:  3       (  0.200,  -0.018,  -0.182)  (  0.192,  -0.006,  -0.027)  ( 0.16,  0.02,  2.83)
177:     bond    (  8.537,   8.504,   0.695)  (  8.543,   8.515,   0.695)  ( 0.06,  0.14,  0.00)
177:     angle   (-28.587,  -3.313,  -5.216)  (-28.584,  -3.311,  -5.216)  ( 0.01,  0.05,  0.00)
177:     strbnd  ( 13.895,   1.569,   1.674)  ( 13.894,   1.567,   1.674)  ( 0.01,  0.12,  0.00)
177:     torsion ( -0.070,   0.291,  -0.883)  ( -0.070,   0.291,  -0.883)  ( 0.00,  0.00,  0.04)
177:     oop     (  0.085,  -0.003,  -0.855)  (  0.070,  -0.003,  -0.700)  ( 0.13,  0.00, 13.23)
177:     vdw     ( -3.152,  -1.167,  -0.567)  ( -3.152,  -1.167,  -0.567)  ( 0.00,  0.00,  0.00)
177:     electro (  9.492,  -5.898,   4.971)  (  9.492,  -5.898,   4.971)  ( 0.00,  0.00,  0.00)
177:  4       (  0.068,   0.192,   0.159)  (  0.107,   0.130,  -0.008)  ( 0.27,  1.19,  2.64)
177:     bond    (  5.784,   6.960,  -1.839)  (  5.788,   6.969,  -1.837)  ( 0.07,  0.13,  0.11)
177:     angle   (  0.982, -10.064,   4.762)  (  0.983, -10.062,   4.762)  ( 0.17,  0.02,  0.00)
177:     strbnd  (  2.113,   6.313,  -2.390)  (  2.113,   6.312,  -2.391)  ( 0.01,  0.02,  0.01)
177:     torsion (  0.211,  -0.053,  -0.431)  (  0.211,  -0.052,  -0.430)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.201,   0.426,   1.012)  ( -0.167,   0.355,   0.843)  ( 0.68,  3.05, 16.69)
177:     vdw     ( -0.575,  -5.329,   2.147)  ( -0.575,  -5.329,   2.147)  ( 0.00,  0.00,  0.00)
177:     electro ( -8.246,   1.938,  -3.102)  ( -8.246,   1.938,  -3.102)  ( 0.00,  0.00,  0.00)
177:  5       ( -0.011,  -0.146,  -0.052)  ( -0.021,  -0.112,   0.008)  ( 0.01,  0.49,  0.32)
177:     bond    (  0.169,   6.053,  -2.652)  (  0.169,   6.060,  -2.651)  ( 0.00,  0.13,  0.06)
177:     angle   ( -0.570,  -0.029,  -0.102)  ( -0.569,  -0.029,  -0.102)  ( 0.04,  0.00,  0.00)
177:     strbnd  ( -0.449,  -0.737,   0.244)  ( -0.449,  -0.737,   0.244)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.351,  -0.798,  -1.802)  (  0.351,  -0.798,  -1.802)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.063,  -0.144,  -0.325)  (  0.052,  -0.118,  -0.265)  ( 0.07,  0.38,  1.92)
177:     vdw     ( -5.042,  -4.784,   2.331)  ( -5.041,  -4.784,   2.331)  ( 0.00,  0.00,  0.00)
177:     electro (  5.466,   0.293,   2.253)  (  5.466,   0.293,   2.253)  ( 0.00,  0.00,  0.00)
177:  6       (  0.048,  -0.085,  -0.062)  (  0.044,  -0.054,   0.004)  ( 0.02,  0.27,  0.41)
177:     bond    ( -0.057,   4.697,  -1.723)  ( -0.052,   4.701,  -1.723)  ( 0.03,  0.10,  0.04)
177:     angle   (  6.722,   9.815,  -3.104)  (  6.724,   9.816,  -3.104)  ( 0.03,  0.02,  0.00)
177:     strbnd  ( -8.096,  -2.087,  -0.459)  ( -8.096,  -2.087,  -0.459)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.110,   0.259,   0.519)  ( -0.110,   0.259,   0.520)  ( 0.00,  0.00,  0.06)
177:     oop     (  0.071,  -0.161,  -0.404)  (  0.060,  -0.136,  -0.340)  ( 0.08,  0.40,  2.58)
177:     vdw     (  1.049, -12.118,   4.931)  (  1.049, -12.118,   4.931)  ( 0.03,  0.00,  0.00)
177:     electro (  0.469,  -0.490,   0.178)  (  0.469,  -0.490,   0.178)  ( 0.00,  0.00,  0.00)
177:  7       ( -0.211,   0.490,   1.592)  ( -0.170,   0.415,   1.339)  ( 0.88,  3.66, 15.89)
177:     bond    (  3.349,  -0.633,   0.565)  (  3.354,  -0.629,   0.566)  ( 0.16,  0.29,  0.05)
177:     angle   ( -2.010,  -5.848,   0.374)  ( -2.008,  -5.846,   0.374)  ( 0.11,  0.04,  0.01)
177:     strbnd  ( -0.379,  -1.736,   0.181)  ( -0.380,  -1.737,   0.181)  ( 0.03,  0.03,  0.00)
177:     torsion ( -0.325,   0.273,   1.507)  ( -0.325,   0.273,   1.508)  ( 0.00,  0.00,  0.09)
177:     oop     ( -0.205,   0.452,   1.462)  ( -0.171,   0.371,   1.207)  ( 0.71,  3.68, 17.45)
177:     vdw     ( -0.926,   8.721,  -2.733)  ( -0.925,   8.721,  -2.733)  ( 0.03,  0.00,  0.00)
177:     electro (  0.284,  -0.738,   0.237)  (  0.284,  -0.738,   0.237)  ( 0.00,  0.00,  0.00)
177:  8       ( -0.038,  -0.007,  -0.024)  ( -0.033,   0.006,  -0.005)  ( 0.02,  0.01,  0.05)
177:     bond    ( -2.335,  12.424,  -4.470)  ( -2.330,  12.429,  -4.470)  ( 0.23,  0.04,  0.02)
177:     angle   ( -1.627,  -0.904,   0.021)  ( -1.626,  -0.902,   0.021)  ( 0.10,  0.16,  0.00)
177:     strbnd  ( -5.052,  -1.205,  -0.263)  ( -5.052,  -1.206,  -0.263)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.060,   0.134,   0.425)  ( -0.060,   0.134,   0.426)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.013,  -0.035,  -0.105)  (  0.011,  -0.030,  -0.088)  ( 0.00,  0.02,  0.18)
177:     vdw     (  6.553, -10.647,   4.170)  (  6.553, -10.647,   4.170)  ( 0.00,  0.00,  0.00)
177:     electro (  2.471,   0.227,   0.198)  (  2.471,   0.227,   0.198)  ( 0.00,  0.00,  0.00)
177:  9       (  0.946,  -1.368,  -4.548)  (  0.837,  -1.147,  -3.903)  (10.32, 16.19, 14.19)
177:     bond    (  7.584,  -6.522,   1.280)  (  7.590,  -6.517,   1.281)  ( 0.08,  0.07,  0.06)
177:     angle   ( -6.868,  -3.074,   6.963)  ( -6.866,  -3.072,   6.964)  ( 0.03,  0.07,  0.01)
177:     strbnd  ( -1.384,   3.697,  -1.135)  ( -1.385,   3.696,  -1.136)  ( 0.05,  0.02,  0.01)
177:     torsion (  0.914,  -1.383,  -5.636)  (  0.914,  -1.383,  -5.635)  ( 0.00,  0.01,  0.01)
177:     oop     (  0.745,  -1.298,  -3.922)  (  0.629,  -1.083,  -3.278)  ( 8.65, 16.58, 16.41)
177:     vdw     ( -1.168,   4.392,  -3.048)  ( -1.168,   4.393,  -3.048)  ( 0.00,  0.00,  0.00)
177:     electro (  1.123,   2.820,   0.950)  (  1.123,   2.820,   0.950)  ( 0.00,  0.00,  0.00)
177: 10       ( -0.051,  -0.123,  -0.257)  ( -0.046,  -0.109,  -0.239)  ( 0.02,  0.17,  0.44)
177:     bond    (  2.250, -21.552,   7.812)  (  2.255, -21.547,   7.813)  ( 0.22,  0.02,  0.01)
177:     angle   (  0.157,  10.838,  -3.791)  (  0.158,  10.840,  -3.791)  ( 0.02,  0.02,  0.01)
177:     strbnd  ( -4.774,   3.240,  -1.394)  ( -4.774,   3.239,  -1.394)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.383,   0.976,   3.097)  ( -0.383,   0.976,   3.098)  ( 0.00,  0.02,  0.04)
177:     oop     (  0.001,  -0.020,  -0.019)  ( -0.000,  -0.013,  -0.004)  ( 0.00,  0.01,  0.03)
177:     vdw     (  1.632,   4.936,  -5.898)  (  1.632,   4.937,  -5.898)  ( 0.01,  0.01,  0.00)
177:     electro (  1.066,   1.459,  -0.063)  (  1.066,   1.459,  -0.063)  ( 0.00,  0.00,  0.00)
177: 11       ( -1.565,   1.497,  -6.484)  ( -1.426,   1.426,  -5.566)  ( 8.90,  4.71, 14.17)
177:     bond    (-16.382,  -5.258,  -0.908)  (-16.377,  -5.253,  -0.907)  ( 0.03,  0.09,  0.07)
177:     angle   (-11.115,   1.090,   2.569)  (-11.112,   1.092,   2.569)  ( 0.02,  0.19,  0.01)
177:     strbnd  ( 22.133,   1.950,   2.757)  ( 22.132,   1.949,   2.757)  ( 0.00,  0.03,  0.00)
177:     torsion (  0.030,  -0.147,  -1.459)  (  0.030,  -0.146,  -1.458)  ( 0.00,  0.00,  0.07)
177:     oop     ( -1.363,   1.188,  -6.786)  ( -1.230,   1.111,  -5.870)  ( 9.71,  6.48, 13.50)
177:     vdw     (  4.671,   2.284,  -2.768)  (  4.672,   2.284,  -2.768)  ( 0.00,  0.00,  0.00)
177:     electro (  0.459,   0.390,   0.111)  (  0.459,   0.390,   0.111)  ( 0.00,  0.00,  0.00)
177: 12       ( -0.002,   0.033,   0.022)  (  0.002,   0.028,  -0.000)  ( 0.00,  0.02,  0.05)
177:     bond    ( -0.083,  -1.551,   0.585)  ( -0.083,  -1.548,   0.586)  ( 0.00,  0.21,  0.03)
177:     angle   ( -2.409,   0.039,  -0.237)  ( -2.408,   0.039,  -0.237)  ( 0.03,  0.00,  0.00)
177:     strbnd  (  0.317,   2.635,  -1.018)  (  0.317,   2.635,  -1.018)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.335,   0.971,   2.518)  ( -0.335,   0.971,   2.518)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.020,   0.060,   0.155)  ( -0.017,   0.051,   0.132)  ( 0.01,  0.05,  0.36)
177:     vdw     (  1.947,  -0.339,  -2.146)  (  1.947,  -0.339,  -2.146)  ( 0.01,  0.00,  0.00)
177:     electro (  0.582,  -1.781,   0.164)  (  0.582,  -1.781,   0.164)  ( 0.00,  0.00,  0.00)
177: 13       ( -0.161,   0.206,   0.379)  ( -0.135,   0.166,   0.239)  ( 0.42,  0.83,  5.33)
177:     bond    (-10.578,  16.134,  -6.570)  (-10.572,  16.139,  -6.569)  ( 0.06,  0.03,  0.01)
177:     angle   (  3.774,  -9.877,   3.575)  (  3.776,  -9.875,   3.575)  ( 0.06,  0.02,  0.00)
177:     strbnd  (  6.607,   8.014,  -1.786)  (  6.607,   8.014,  -1.786)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.109,  -0.516,  -1.612)  (  0.109,  -0.516,  -1.611)  ( 0.00,  0.01,  0.06)
177:     oop     ( -0.104,   0.267,   0.810)  ( -0.086,   0.220,   0.668)  ( 0.18,  1.25, 11.54)
177:     vdw     (  2.473, -10.532,   5.124)  (  2.473, -10.532,   5.124)  ( 0.01,  0.00,  0.00)
177:     electro ( -2.443,  -3.284,   0.838)  ( -2.443,  -3.284,   0.838)  ( 0.00,  0.00,  0.00)
177: 14       ( -0.003,   0.005,   0.001)  ( -0.002,   0.008,  -0.001)  ( 0.00,  0.00,  0.00)
177:     bond    (  0.027,   1.931,  -0.640)  (  0.027,   1.934,  -0.640)  ( 0.00,  0.18,  0.02)
177:     angle   ( -2.454,  -0.061,  -0.290)  ( -2.454,  -0.061,  -0.290)  ( 0.03,  0.00,  0.00)
177:     strbnd  ( -0.157,  -0.599,   0.177)  ( -0.157,  -0.599,   0.177)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.008,  -0.021,  -0.062)  (  0.008,  -0.021,  -0.062)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.002,   0.005,   0.014)  ( -0.001,   0.004,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.894,  -1.054,   0.744)  (  3.894,  -1.054,   0.744)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.319,  -0.195,   0.058)  ( -1.319,  -0.195,   0.058)  ( 0.00,  0.00,  0.00)
177: 15       (  0.084,  -0.049,   0.001)  (  0.085,  -0.040,   0.023)  ( 0.00,  0.04,  0.00)
177:     bond    (  0.221,  -0.141,   0.077)  (  0.224,  -0.139,   0.077)  ( 0.07,  0.02,  0.00)
177:     angle   (  4.781,   6.809,  -1.605)  (  4.781,   6.810,  -1.605)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -0.896,   1.110,  -0.480)  ( -0.896,   1.110,  -0.480)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.065,  -0.159,  -0.479)  (  0.065,  -0.159,  -0.479)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.019,  -0.046,  -0.139)  (  0.016,  -0.039,  -0.117)  ( 0.01,  0.03,  0.30)
177:     vdw     ( -4.637,  -7.161,   2.713)  ( -4.637,  -7.161,   2.713)  ( 0.00,  0.00,  0.00)
177:     electro (  0.531,  -0.461,  -0.087)  (  0.531,  -0.461,  -0.087)  ( 0.00,  0.00,  0.00)
177: 16       (  0.592,  -6.830,  17.259)  (  0.475,  -6.321,  15.463)  ( 6.92,  7.44, 10.40)
177:     bond    ( 11.932,   3.001,  15.852)  ( 11.937,   3.005,  15.854)  ( 0.04,  0.13,  0.01)
177:     angle   ( 23.478,  14.321,  -5.626)  ( 23.480,  14.322,  -5.625)  ( 0.01,  0.01,  0.02)
177:     strbnd  (-17.338, -10.628,  -0.306)  (-17.339, -10.629,  -0.306)  ( 0.01,  0.01,  0.01)
177:     torsion (  2.180,  -3.338,  -2.414)  (  2.180,  -3.338,  -2.413)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.730,  -6.148,  15.666)  (  0.607,  -5.645,  13.868)  ( 8.98,  8.18, 11.48)
177:     vdw     ( -3.584,  -3.576,   0.274)  ( -3.584,  -3.576,   0.274)  ( 0.00,  0.00,  0.00)
177:     electro (-16.806,  -0.461,  -6.188)  (-16.806,  -0.461,  -6.188)  ( 0.00,  0.00,  0.00)
177: 17       ( -0.326,   0.524,   1.534)  ( -0.284,   0.447,   1.326)  ( 1.35,  4.06, 13.53)
177:     bond    ( -1.611,  -0.017,   3.957)  ( -1.609,  -0.012,   3.962)  ( 0.12,  0.01,  0.12)
177:     angle   (  6.180,   1.067,  -5.100)  (  6.182,   1.069,  -5.098)  ( 0.03,  0.17,  0.04)
177:     strbnd  (  0.100,  -7.392,   3.328)  (  0.099,  -7.392,   3.327)  ( 0.00,  0.01,  0.03)
177:     torsion (  0.098,  -0.377,   0.788)  (  0.098,  -0.377,   0.788)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.243,   0.495,   1.264)  ( -0.205,   0.412,   1.051)  ( 0.93,  4.15, 16.89)
177:     vdw     ( -4.964,   6.311,  -2.568)  ( -4.963,   6.311,  -2.568)  ( 0.00,  0.00,  0.00)
177:     electro (  0.114,   0.437,  -0.136)  (  0.114,   0.437,  -0.136)  ( 0.00,  0.00,  0.00)
177: 18       (  0.022,  -0.013,   0.018)  (  0.025,  -0.012,   0.017)  ( 0.01,  0.00,  0.00)
177:     bond    (  2.427,  -1.578,   1.180)  (  2.429,  -1.577,   1.181)  ( 0.09,  0.06,  0.04)
177:     angle   (  0.938,   1.300,  -0.193)  (  0.938,   1.300,  -0.193)  ( 0.02,  0.03,  0.00)
177:     strbnd  (  0.253,   0.443,  -0.086)  (  0.253,   0.443,  -0.086)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.194,   0.249,   0.730)  ( -0.194,   0.249,   0.731)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.004,   0.005,   0.016)  ( -0.004,   0.005,   0.014)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.726,   0.545,  -1.869)  ( -0.726,   0.545,  -1.869)  ( 0.01,  0.01,  0.00)
177:     electro ( -2.672,  -0.977,   0.240)  ( -2.672,  -0.977,   0.240)  ( 0.00,  0.00,  0.00)
177: 19       ( -0.014,   3.511,  -4.590)  (  0.033,   3.229,  -4.205)  ( 0.06,  8.04,  8.38)
177:     bond    ( 14.557,  -7.075, -16.796)  ( 14.561,  -7.071, -16.792)  ( 0.03,  0.06,  0.03)
177:     angle   ( -6.287,   1.336,   9.984)  ( -6.284,   1.338,   9.986)  ( 0.04,  0.15,  0.02)
177:     strbnd  ( -1.105,  -2.672,   1.853)  ( -1.106,  -2.672,   1.852)  ( 0.07,  0.04,  0.04)
177:     torsion ( -2.284,   2.619,  -3.338)  ( -2.284,   2.619,  -3.338)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.200,   3.236,  -4.287)  ( -0.160,   2.949,  -3.907)  ( 0.82,  8.88,  8.84)
177:     vdw     ( -0.883,   6.505,   5.249)  ( -0.883,   6.505,   5.250)  ( 0.01,  0.00,  0.00)
177:     electro ( -3.811,  -0.439,   2.744)  ( -3.811,  -0.439,   2.744)  ( 0.00,  0.00,  0.00)
177: 20       (  1.087,   1.726,  -6.160)  (  1.026,   1.634,  -5.527)  ( 5.62,  5.35, 10.28)
177:     bond    ( -3.175,  21.247,  -4.289)  ( -3.171,  21.251,  -4.285)  ( 0.12,  0.02,  0.11)
177:     angle   ( -1.211, -12.477,   2.194)  ( -1.209, -12.475,   2.196)  ( 0.17,  0.02,  0.08)
177:     strbnd  ( -3.415,  -1.229,   2.715)  ( -3.416,  -1.230,   2.715)  ( 0.04,  0.07,  0.01)
177:     torsion ( -0.113,   0.216,   3.410)  ( -0.113,   0.216,   3.410)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.933,   1.474,  -5.351)  (  0.867,   1.376,  -4.724)  ( 6.12,  6.66, 11.72)
177:     vdw     (  9.608,  -0.387,  -5.167)  (  9.608,  -0.387,  -5.167)  ( 0.00,  0.01,  0.00)
177:     electro ( -1.539,  -7.118,   0.328)  ( -1.539,  -7.118,   0.328)  ( 0.00,  0.00,  0.00)
177: 21       (  0.043,   0.049,  -0.100)  (  0.045,   0.051,  -0.100)  ( 0.01,  0.01,  0.01)
177:     bond    (  1.613,  -1.085,   0.142)  (  1.615,  -1.084,   0.142)  ( 0.14,  0.10,  0.00)
177:     angle   ( -3.259,  -5.157,  -2.297)  ( -3.259,  -5.157,  -2.296)  ( 0.01,  0.01,  0.02)
177:     strbnd  ( -0.614,   0.250,  -1.435)  ( -0.614,   0.250,  -1.435)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.131,   0.198,   0.029)  (  0.131,   0.198,   0.029)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.173,   5.843,   3.461)  (  2.173,   5.843,   3.461)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       ( -0.097,   0.001,  -0.021)  ( -0.097,   0.002,  -0.017)  ( 0.01,  0.00,  0.01)
177:     bond    ( -0.285,   1.036,  -3.315)  ( -0.285,   1.036,  -3.312)  ( 0.00,  0.03,  0.09)
177:     angle   (  0.181,  -1.068,  -0.350)  (  0.182,  -1.067,  -0.350)  ( 0.01,  0.05,  0.00)
177:     strbnd  (  0.973,  -1.118,   0.103)  (  0.973,  -1.118,   0.103)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.253,  -0.745,  -0.255)  (  0.253,  -0.745,  -0.255)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.220,   1.896,   3.796)  ( -1.220,   1.896,   3.796)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       (  0.003,  -0.104,  -0.010)  (  0.007,  -0.098,  -0.004)  ( 0.00,  0.06,  0.01)
177:     bond    ( -3.127, -17.812,   3.460)  ( -3.123, -17.808,   3.465)  ( 0.13,  0.02,  0.13)
177:     angle   (  0.202,   7.188,  -7.171)  (  0.204,   7.190,  -7.169)  ( 0.04,  0.03,  0.02)
177:     strbnd  (  3.369,  -1.380,  -2.585)  (  3.367,  -1.380,  -2.585)  ( 0.04,  0.05,  0.01)
177:     torsion ( -0.244,   1.380,   2.916)  ( -0.244,   1.381,   2.917)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.952,   7.510,   2.573)  ( -0.952,   7.510,   2.573)  ( 0.00,  0.00,  0.00)
177:     electro (  0.755,   3.009,   0.796)  (  0.755,   3.009,   0.796)  ( 0.00,  0.00,  0.00)
177: 24       (  0.041,   0.038,  -0.066)  (  0.041,   0.040,  -0.065)  ( 0.00,  0.01,  0.01)
177:     bond    (  0.060,   1.792,   1.597)  (  0.060,   1.794,   1.599)  ( 0.00,  0.10,  0.09)
177:     angle   ( -3.575,  -1.364,   1.663)  ( -3.575,  -1.363,   1.664)  ( 0.02,  0.02,  0.02)
177:     strbnd  ( -0.521,   0.527,  -1.117)  ( -0.521,   0.527,  -1.117)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.220,   0.007,  -0.016)  (  0.220,   0.007,  -0.016)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.856,  -0.925,  -2.194)  (  3.857,  -0.925,  -2.194)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       (  0.066,  -0.058,  -0.075)  (  0.072,  -0.052,  -0.069)  ( 0.04,  0.03,  0.04)
177:     bond    (-13.633,   0.941,  12.416)  (-13.629,   0.945,  12.421)  ( 0.03,  0.39,  0.04)
177:     angle   (  2.350,   2.416,  -9.408)  (  2.353,   2.418,  -9.406)  ( 0.09,  0.08,  0.02)
177:     strbnd  (  0.055,   4.163,  -0.501)  (  0.054,   4.162,  -0.502)  ( 0.00,  0.03,  0.04)
177:     torsion (  2.065,  -2.248,   1.183)  (  2.065,  -2.248,   1.183)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.223,  -3.991,  -2.667)  (  6.223,  -3.991,  -2.667)  ( 0.00,  0.00,  0.00)
177:     electro (  3.006,  -1.338,  -1.097)  (  3.006,  -1.338,  -1.097)  ( 0.00,  0.00,  0.00)
177: 26       ( -0.052,  -0.091,  -0.008)  ( -0.051,  -0.090,  -0.005)  ( 0.00,  0.01,  0.00)
177:     bond    ( -0.508,   1.114,  -2.671)  ( -0.508,   1.115,  -2.668)  ( 0.01,  0.04,  0.10)
177:     angle   ( -3.386,  -1.138,   0.169)  ( -3.386,  -1.138,   0.170)  ( 0.02,  0.04,  0.00)
177:     strbnd  ( -0.285,   1.027,   0.757)  ( -0.285,   1.027,   0.757)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.517,   0.425,   0.276)  ( -0.517,   0.425,   0.276)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.645,  -1.519,   1.461)  (  4.645,  -1.518,   1.461)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 27       ( -0.053,   0.087,   0.044)  ( -0.047,   0.093,   0.047)  ( 0.03,  0.05,  0.01)
177:     bond    (-15.148,  -5.941, -10.039)  (-15.143,  -5.937, -10.037)  ( 0.03,  0.08,  0.02)
177:     angle   ( -5.200,  -8.059,   8.744)  ( -5.198,  -8.058,   8.745)  ( 0.03,  0.02,  0.02)
177:     strbnd  ( -1.543,  -1.202,   1.549)  ( -1.544,  -1.203,   1.548)  ( 0.04,  0.04,  0.03)
177:     torsion ( -0.831,   0.963,  -3.227)  ( -0.831,   0.963,  -3.226)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.577,   4.313,  -0.037)  (  6.577,   4.313,  -0.037)  ( 0.00,  0.00,  0.00)
177:     electro ( 16.093,  10.014,   3.054)  ( 16.093,  10.014,   3.054)  ( 0.00,  0.00,  0.00)
177: 28       (  0.001,   0.014,  -0.042)  (  0.002,   0.015,  -0.039)  ( 0.00,  0.00,  0.01)
177:     bond    (  0.463,  -1.202,   2.694)  (  0.464,  -1.202,   2.697)  ( 0.00,  0.05,  0.10)
177:     angle   (  0.035,  -0.321,  -0.149)  (  0.036,  -0.320,  -0.149)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -0.222,  -0.567,  -1.132)  ( -0.222,  -0.567,  -1.132)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.438,  -1.586,  -0.782)  (  0.438,  -1.586,  -0.782)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.714,   3.690,  -0.674)  ( -0.714,   3.690,  -0.674)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 29       (  0.008,   0.030,   0.008)  (  0.008,   0.032,   0.009)  ( 0.00,  0.01,  0.00)
177:     bond    ( -0.087,  -1.217,  -1.051)  ( -0.087,  -1.215,  -1.050)  ( 0.00,  0.16,  0.14)
177:     angle   ( -0.252,   0.112,  -0.110)  ( -0.251,   0.113,  -0.110)  ( 0.02,  0.00,  0.00)
177:     strbnd  (  0.115,   0.045,   1.331)  (  0.115,   0.045,   1.331)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.210,   0.236,  -0.255)  ( -0.210,   0.236,  -0.255)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.441,   0.855,   0.093)  (  0.441,   0.855,   0.093)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       ( -0.057,   0.017,   0.002)  ( -0.054,   0.018,   0.002)  ( 0.02,  0.00,  0.00)
177:     bond    ( -1.435,   0.851,  -0.093)  ( -1.433,   0.852,  -0.093)  ( 0.17,  0.08,  0.00)
177:     angle   ( -0.122,  -0.244,  -0.343)  ( -0.122,  -0.243,  -0.342)  ( 0.00,  0.01,  0.02)
177:     strbnd  (  0.598,  -0.582,   1.034)  (  0.598,  -0.582,   1.034)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.027,  -0.078,  -0.298)  ( -0.027,  -0.078,  -0.297)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.930,   0.070,  -0.299)  (  0.930,   0.070,  -0.299)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 31       (  0.005,  -0.020,   0.028)  (  0.006,  -0.019,   0.031)  ( 0.00,  0.00,  0.01)
177:     bond    (  0.312,  -0.902,   2.849)  (  0.312,  -0.902,   2.852)  ( 0.00,  0.03,  0.11)
177:     angle   ( -0.502,   0.107,   0.089)  ( -0.501,   0.107,   0.089)  ( 0.03,  0.01,  0.00)
177:     strbnd  ( -0.940,   0.677,  -0.469)  ( -0.940,   0.677,  -0.469)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.235,   1.160,   0.502)  ( -1.235,   1.160,   0.502)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.370,  -1.062,  -2.942)  (  2.370,  -1.062,  -2.942)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 32       (  0.003,  -0.016,  -0.010)  (  0.005,  -0.014,  -0.009)  ( 0.00,  0.00,  0.00)
177:     bond    ( -0.021,  -0.018,   0.009)  ( -0.019,  -0.016,   0.009)  ( 0.00,  0.00,  0.00)
177:     angle   ( -0.160,   0.222,   0.062)  ( -0.160,   0.222,   0.062)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -0.521,   0.030,  -0.937)  ( -0.521,   0.030,  -0.938)  ( 0.00,  0.00,  0.01)
177:     torsion (  0.592,  -0.069,   1.057)  (  0.592,  -0.069,   1.057)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.902,   0.369,   0.423)  (  0.902,   0.369,   0.423)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.789,  -0.550,  -0.623)  ( -0.789,  -0.550,  -0.623)  ( 0.00,  0.00,  0.00)
177: 33       ( -0.030,  -0.053,   0.105)  ( -0.019,  -0.047,   0.022)  ( 0.03,  0.03,  0.87)
177:     bond    ( -1.616,  -9.765,   0.189)  ( -1.616,  -9.756,   0.189)  ( 0.01,  0.10,  0.00)
177:     angle   ( 20.636,  -3.367,   2.623)  ( 20.637,  -3.367,   2.623)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  0.680,   2.049,   0.006)  (  0.680,   2.049,   0.006)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.339,   0.113,   2.931)  ( -0.339,   0.113,   2.931)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.045,   0.015,   0.377)  ( -0.035,   0.012,   0.294)  ( 0.04,  0.00,  3.13)
177:     vdw     ( -3.314,  -1.163,  -1.055)  ( -3.314,  -1.163,  -1.055)  ( 0.00,  0.00,  0.00)
177:     electro (-16.031,  12.066,  -4.968)  (-16.031,  12.066,  -4.968)  ( 0.00,  0.00,  0.00)
177: 34       (  0.021,   0.161,   0.031)  (  0.031,   0.164,  -0.005)  ( 0.02,  0.05,  0.11)
177:     bond    ( -3.927,   2.786,  -0.594)  ( -3.921,   2.789,  -0.594)  ( 0.15,  0.13,  0.00)
177:     angle   ( 16.132,  -2.853,   2.371)  ( 16.132,  -2.852,   2.372)  ( 0.00,  0.05,  0.01)
177:     strbnd  ( -0.845,   3.072,  -0.258)  ( -0.845,   3.072,  -0.258)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.144,  -0.049,  -1.174)  (  0.144,  -0.049,  -1.173)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.036,   0.013,   0.294)  ( -0.031,   0.011,   0.258)  ( 0.02,  0.00,  1.06)
177:     vdw     (-11.558,  -6.965,   1.339)  (-11.558,  -6.965,   1.339)  ( 0.00,  0.00,  0.00)
177:     electro (  0.110,   4.158,  -1.948)  (  0.110,   4.158,  -1.948)  ( 0.00,  0.00,  0.00)
177: 35       ( -0.101,  -0.084,  -0.013)  ( -0.097,  -0.081,  -0.013)  ( 0.04,  0.02,  0.00)
177:     bond    (  0.234,   0.187,   0.015)  (  0.238,   0.189,   0.015)  ( 0.08,  0.04,  0.00)
177:     angle   ( -9.135,  11.640,  -1.684)  ( -9.135,  11.640,  -1.684)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -1.252,  -0.773,  -0.092)  ( -1.252,  -0.773,  -0.092)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.050,  -0.027,  -0.452)  (  0.050,  -0.027,  -0.452)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.204,   0.155,  -0.034)  ( -0.204,   0.155,  -0.034)  ( 0.00,  0.00,  0.00)
177:     electro ( 10.207, -11.265,   2.235)  ( 10.207, -11.265,   2.235)  ( 0.00,  0.00,  0.00)
177: 36       (  0.023,  -0.029,  -0.012)  (  0.030,  -0.025,  -0.007)  ( 0.01,  0.01,  0.01)
177:     bond    (  1.340,  -4.011,  -2.272)  (  1.346,  -4.008,  -2.268)  ( 0.45,  0.07,  0.18)
177:     angle   ( -1.289,   0.664,   1.982)  ( -1.288,   0.666,   1.984)  ( 0.08,  0.10,  0.10)
177:     strbnd  (  0.232,  -0.792,   0.487)  (  0.231,  -0.793,   0.486)  ( 0.02,  0.03,  0.03)
177:     torsion ( -1.155,   0.195,  -0.282)  ( -1.155,   0.195,  -0.282)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.717,   5.471,   0.093)  (  0.717,   5.471,   0.093)  ( 0.00,  0.00,  0.00)
177:     electro (  0.179,  -1.556,  -0.020)  (  0.179,  -1.556,  -0.020)  ( 0.00,  0.00,  0.00)
177: 37       (  0.029,   0.043,  -0.047)  (  0.034,   0.047,  -0.041)  ( 0.01,  0.02,  0.03)
177:     bond    (  1.435,  -3.700,  -1.718)  (  1.438,  -3.696,  -1.713)  ( 0.27,  0.10,  0.31)
177:     angle   (  0.328,   0.545,   0.556)  (  0.329,   0.546,   0.558)  ( 0.03,  0.08,  0.12)
177:     strbnd  ( -0.069,  -0.300,   0.440)  ( -0.069,  -0.301,   0.439)  ( 0.00,  0.01,  0.04)
177:     torsion (  0.956,   0.601,   0.479)  (  0.956,   0.601,   0.479)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.832,   4.136,   0.355)  ( -2.832,   4.136,   0.355)  ( 0.00,  0.00,  0.00)
177:     electro (  0.210,  -1.238,  -0.159)  (  0.210,  -1.238,  -0.159)  ( 0.00,  0.00,  0.00)
177: 38       ( -0.013,   0.017,  -0.005)  ( -0.012,   0.019,  -0.003)  ( 0.00,  0.00,  0.00)
177:     bond    (  0.435,  -0.767,   0.899)  (  0.435,  -0.766,   0.901)  ( 0.02,  0.11,  0.17)
177:     angle   (  0.496,   0.229,  -0.045)  (  0.496,   0.229,  -0.045)  ( 0.03,  0.00,  0.00)
177:     strbnd  ( -0.157,   0.213,  -0.446)  ( -0.157,   0.213,  -0.446)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.563,  -0.012,  -0.282)  (  0.563,  -0.012,  -0.283)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.724,   0.200,   0.015)  ( -0.724,   0.200,   0.015)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.625,   0.154,  -0.145)  ( -0.625,   0.154,  -0.145)  ( 0.00,  0.00,  0.00)
177: 39       ( -0.005,  -0.008,   0.012)  ( -0.003,  -0.007,   0.014)  ( 0.00,  0.00,  0.00)
177:     bond    (  0.863,   0.325,  -0.866)  (  0.864,   0.325,  -0.865)  ( 0.15,  0.01,  0.15)
177:     angle   (  0.432,  -1.789,  -0.241)  (  0.433,  -1.789,  -0.241)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -0.148,  -0.179,   0.111)  ( -0.148,  -0.179,   0.111)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.500,  -0.248,   0.406)  (  0.500,  -0.248,   0.406)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.310,   2.013,   0.436)  ( -1.310,   2.013,   0.436)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.342,  -0.130,   0.167)  ( -0.342,  -0.130,   0.167)  ( 0.00,  0.00,  0.00)
177: 40       ( -0.029,  -0.039,   0.034)  ( -0.028,  -0.036,   0.035)  ( 0.00,  0.01,  0.00)
177:     bond    ( -0.592,  -0.813,   0.455)  ( -0.591,  -0.811,   0.456)  ( 0.06,  0.16,  0.03)
177:     angle   ( -0.349,   0.064,  -0.339)  ( -0.348,   0.064,  -0.339)  ( 0.01,  0.00,  0.02)
177:     strbnd  (  0.254,   0.177,  -0.194)  (  0.254,   0.177,  -0.194)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.231,  -0.135,  -0.540)  ( -0.231,  -0.135,  -0.540)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.504,   0.376,   0.413)  (  0.504,   0.376,   0.413)  ( 0.00,  0.00,  0.00)
177:     electro (  0.385,   0.292,   0.238)  (  0.385,   0.292,   0.238)  ( 0.00,  0.00,  0.00)
177: 41       (  0.005,  -0.012,   0.021)  (  0.005,  -0.011,   0.024)  ( 0.00,  0.00,  0.01)
177:     bond    ( -0.265,   0.213,  -1.387)  ( -0.265,   0.213,  -1.384)  ( 0.00,  0.00,  0.25)
177:     angle   ( -0.002,  -0.794,  -0.122)  ( -0.001,  -0.793,  -0.122)  ( 0.00,  0.04,  0.00)
177:     strbnd  (  0.104,  -0.149,   0.254)  (  0.104,  -0.149,   0.254)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.534,  -0.473,   0.029)  ( -0.534,  -0.473,   0.029)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.465,   1.537,   0.914)  (  0.465,   1.537,   0.914)  ( 0.00,  0.00,  0.00)
177:     electro (  0.237,  -0.346,   0.332)  (  0.237,  -0.346,   0.332)  ( 0.00,  0.00,  0.00)
177: 42       (  0.013,   0.008,  -0.041)  (  0.014,   0.009,  -0.038)  ( 0.00,  0.00,  0.01)
177:     bond    ( -1.424,  -0.121,   4.422)  ( -1.424,  -0.120,   4.425)  ( 0.03,  0.00,  0.07)
177:     angle   (  0.750,  -1.072,   0.212)  (  0.750,  -1.071,   0.212)  ( 0.02,  0.08,  0.00)
177:     strbnd  (  0.500,  -0.190,  -1.471)  (  0.500,  -0.190,  -1.471)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.246,   0.662,  -0.061)  ( -0.246,   0.662,  -0.061)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.074,   0.895,  -1.822)  ( -0.074,   0.895,  -1.822)  ( 0.00,  0.00,  0.00)
177:     electro (  0.507,  -0.167,  -1.321)  (  0.507,  -0.167,  -1.321)  ( 0.00,  0.00,  0.00)
177: ok 24 # gradients 
177: ok 25 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (  0.094,  -0.054,   0.252)  (  0.101,  -0.049,   0.257)  ( 0.07,  0.03,  0.12)
177:     bond    (  0.405,   3.441,   0.242)  (  0.412,   3.445,   0.242)  ( 0.28,  0.13,  0.00)
177:     angle   ( -0.409,   0.650,  -0.195)  ( -0.408,   0.652,  -0.195)  ( 0.06,  0.11,  0.00)
177:     strbnd  ( -0.322,  -4.041,  -0.254)  ( -0.322,  -4.042,  -0.254)  ( 0.01,  0.03,  0.00)
177:     torsion ( -0.032,  -0.018,   0.320)  ( -0.032,  -0.018,   0.321)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.002,   0.001,  -0.014)  (  0.001,   0.001,  -0.011)  ( 0.00,  0.00,  0.01)
177:     vdw     ( -0.047,  -0.020,  -0.019)  ( -0.047,  -0.020,  -0.019)  ( 0.00,  0.00,  0.00)
177:     electro (  0.497,  -0.068,   0.172)  (  0.497,  -0.068,   0.172)  ( 0.00,  0.00,  0.00)
177:  2       ( -0.202,  -0.384,   0.053)  ( -0.198,  -0.377,   0.070)  ( 0.09,  0.28,  0.09)
177:     bond    (  3.541,  -2.137,   0.264)  (  3.546,  -2.131,   0.265)  ( 0.15,  0.30,  0.00)
177:     angle   (  1.746,   1.275,   0.298)  (  1.748,   1.277,   0.298)  ( 0.10,  0.14,  0.00)
177:     strbnd  ( -2.090,   1.285,  -0.146)  ( -2.091,   1.285,  -0.146)  ( 0.05,  0.01,  0.00)
177:     torsion (  0.033,   0.016,  -0.297)  (  0.034,   0.016,  -0.296)  ( 0.00,  0.00,  0.04)
177:     oop     (  0.010,   0.005,  -0.088)  (  0.009,   0.004,  -0.072)  ( 0.00,  0.00,  0.14)
177:     vdw     ( -3.041,  -0.539,  -0.132)  ( -3.041,  -0.539,  -0.132)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.403,  -0.288,   0.154)  ( -0.403,  -0.288,   0.154)  ( 0.00,  0.00,  0.00)
177:  3       ( -0.110,   0.062,   0.058)  ( -0.093,   0.078,  -0.064)  ( 0.18,  0.10,  0.70)
177:     bond    ( 10.808,   8.532,   1.851)  ( 10.812,   8.538,   1.851)  ( 0.04,  0.07,  0.01)
177:     angle   ( -1.280, -12.576,  -1.628)  ( -1.278, -12.574,  -1.628)  ( 0.16,  0.02,  0.03)
177:     strbnd  ( -2.662,  -2.231,  -0.989)  ( -2.662,  -2.232,  -0.989)  ( 0.02,  0.03,  0.01)
177:     torsion ( -0.153,   0.061,   1.120)  ( -0.153,   0.061,   1.121)  ( 0.00,  0.00,  0.09)
177:     oop     ( -0.073,  -0.051,   0.782)  ( -0.062,  -0.043,   0.659)  ( 0.08,  0.04,  9.60)
177:     vdw     ( -8.513,   7.070,  -1.049)  ( -8.513,   7.070,  -1.049)  ( 0.00,  0.00,  0.00)
177:     electro (  1.764,  -0.743,  -0.030)  (  1.764,  -0.743,  -0.030)  ( 0.00,  0.00,  0.00)
177:  4       ( -0.088,  -0.102,  -0.382)  ( -0.110,  -0.122,  -0.055)  ( 0.20,  0.20, 12.48)
177:     bond    ( 20.270,  -4.350,   1.475)  ( 20.275,  -4.343,   1.476)  ( 0.02,  0.15,  0.01)
177:     angle   ( 12.458,  12.739,   3.115)  ( 12.460,  12.741,   3.115)  ( 0.02,  0.01,  0.01)
177:     strbnd  (-17.883,  -3.513,  -1.809)  (-17.884,  -3.514,  -1.809)  ( 0.01,  0.03,  0.00)
177:     torsion (  0.036,   0.065,  -1.684)  (  0.036,   0.065,  -1.683)  ( 0.00,  0.00,  0.04)
177:     oop     (  0.171,   0.149,  -1.871)  (  0.143,   0.122,  -1.545)  ( 0.48,  0.40, 17.39)
177:     vdw     (-12.241,  -4.949,   0.142)  (-12.241,  -4.949,   0.142)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.899,  -0.244,   0.249)  ( -2.899,  -0.244,   0.249)  ( 0.00,  0.00,  0.00)
177:  5       ( -0.068,  -0.017,  -0.125)  ( -0.065,  -0.011,  -0.110)  ( 0.02,  0.01,  0.19)
177:     bond    (  1.518, -21.327,  -9.249)  (  1.522, -21.323,  -9.244)  ( 0.25,  0.02,  0.05)
177:     angle   ( -8.489,  14.472,   7.087)  ( -8.487,  14.475,   7.088)  ( 0.02,  0.02,  0.02)
177:     strbnd  ( 11.557,   1.653,   2.302)  ( 11.556,   1.652,   2.302)  ( 0.01,  0.05,  0.02)
177:     torsion ( -0.182,   0.061,  -1.411)  ( -0.182,   0.061,  -1.410)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.005,   0.003,  -0.040)  (  0.004,   0.002,  -0.031)  ( 0.00,  0.00,  0.04)
177:     vdw     ( -7.969,   3.574,   1.404)  ( -7.968,   3.574,   1.404)  ( 0.00,  0.00,  0.00)
177:     electro (  3.491,   1.548,  -0.219)  (  3.491,   1.548,  -0.219)  ( 0.00,  0.00,  0.00)
177:  6       (  0.024,  -0.167,   0.098)  (  0.036,  -0.156,   0.018)  ( 0.03,  0.18,  0.79)
177:     bond    ( -9.999,  -4.566,  -1.383)  ( -9.996,  -4.563,  -1.383)  ( 0.03,  0.06,  0.00)
177:     angle   (  0.723,  -4.226,  -0.076)  (  0.723,  -4.225,  -0.077)  ( 0.04,  0.03,  0.00)
177:     strbnd  ( 12.551,   6.889,   1.807)  ( 12.551,   6.889,   1.807)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.080,   0.020,  -0.668)  (  0.080,   0.020,  -0.667)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.057,  -0.045,   0.532)  ( -0.048,  -0.038,   0.452)  ( 0.05,  0.03,  4.28)
177:     vdw     ( -3.283,   1.455,  -0.244)  ( -3.283,   1.455,  -0.244)  ( 0.00,  0.00,  0.00)
177:     electro (  0.009,   0.307,   0.130)  (  0.009,   0.307,   0.130)  ( 0.00,  0.00,  0.00)
177:  7       ( -0.002,   0.041,  -0.083)  (  0.003,   0.047,  -0.081)  ( 0.00,  0.02,  0.02)
177:     bond    ( 10.203,   5.616,  25.277)  ( 10.207,   5.620,  25.278)  ( 0.04,  0.07,  0.00)
177:     angle   (-14.427,   4.571, -29.699)  (-14.425,   4.572, -29.697)  ( 0.01,  0.03,  0.01)
177:     strbnd  (  1.147,  -1.228,  -0.703)  (  1.146,  -1.229,  -0.703)  ( 0.05,  0.04,  0.03)
177:     torsion (  1.193,  -0.605,  -0.282)  (  1.193,  -0.605,  -0.282)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.912,   0.367,   4.636)  (  5.912,   0.367,   4.636)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.030,  -8.679,   0.687)  ( -4.030,  -8.679,   0.687)  ( 0.00,  0.00,  0.00)
177:  8       ( -0.124,  -0.019,  -0.296)  ( -0.123,  -0.017,  -0.295)  ( 0.01,  0.01,  0.03)
177:     bond    ( -0.019,  -0.836,   0.410)  ( -0.019,  -0.833,   0.411)  ( 0.00,  0.23,  0.03)
177:     angle   (  4.770,  -0.609,  -1.012)  (  4.771,  -0.609,  -1.012)  ( 0.01,  0.01,  0.04)
177:     strbnd  (  0.249,   0.128,  -1.740)  (  0.249,   0.128,  -1.740)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.173,  -0.083,  -0.176)  ( -0.173,  -0.083,  -0.176)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.951,   1.380,   2.222)  ( -4.951,   1.380,   2.222)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       ( -0.069,   0.131,  -0.224)  ( -0.068,   0.132,  -0.221)  ( 0.01,  0.01,  0.07)
177:     bond    ( -0.548,  -0.489,  -3.470)  ( -0.548,  -0.489,  -3.467)  ( 0.01,  0.00,  0.09)
177:     angle   (  2.634,  -1.083,  -0.264)  (  2.635,  -1.082,  -0.264)  ( 0.02,  0.05,  0.00)
177:     strbnd  (  0.419,  -1.396,   0.765)  (  0.419,  -1.396,   0.765)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.167,  -0.223,   0.058)  ( -0.167,  -0.223,   0.058)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.406,   3.323,   2.687)  ( -2.406,   3.323,   2.687)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 10       ( -0.074,  -0.055,  -0.182)  ( -0.069,  -0.050,  -0.177)  ( 0.04,  0.03,  0.10)
177:     bond    (-15.381,  12.089, -12.058)  (-15.377,  12.093, -12.053)  ( 0.02,  0.04,  0.04)
177:     angle   (  8.484, -11.406,  11.903)  (  8.487, -11.404,  11.904)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  4.060,   9.673,   0.443)  (  4.059,   9.672,   0.443)  ( 0.02,  0.01,  0.02)
177:     torsion (  1.330,  -0.770,  -1.490)  (  1.330,  -0.769,  -1.490)  ( 0.01,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.699, -11.336,   1.328)  (  1.699, -11.336,   1.328)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.266,   1.694,  -0.308)  ( -0.266,   1.694,  -0.308)  ( 0.00,  0.00,  0.00)
177: 11       (  0.037,  -0.007,  -0.105)  (  0.053,   0.011,  -0.240)  ( 0.06,  0.01,  1.41)
177:     bond    (  9.639,  15.878,   4.037)  (  9.642,  15.883,   4.041)  ( 0.04,  0.03,  0.11)
177:     angle   ( -9.172,  -2.161,  -6.458)  ( -9.170,  -2.158,  -6.456)  ( 0.02,  0.11,  0.02)
177:     strbnd  (  1.149,  -6.264,  -0.982)  (  1.147,  -6.265,  -0.982)  ( 0.10,  0.02,  0.04)
177:     torsion ( -0.350,  -0.442,   3.225)  ( -0.350,  -0.442,   3.225)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.054,  -0.059,   0.659)  ( -0.042,  -0.046,   0.518)  ( 0.06,  0.07,  9.28)
177:     vdw     ( -0.242,  -4.058,  -0.450)  ( -0.242,  -4.058,  -0.450)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.932,  -2.902,  -0.135)  ( -0.932,  -2.902,  -0.135)  ( 0.00,  0.00,  0.00)
177: 12       (  0.007,   0.058,  -0.013)  (  0.009,   0.059,  -0.013)  ( 0.00,  0.01,  0.00)
177:     bond    ( -1.070,   0.929,   0.454)  ( -1.069,   0.931,   0.454)  ( 0.16,  0.12,  0.01)
177:     angle   (  4.468,   5.608,  -0.977)  (  4.468,   5.608,  -0.977)  ( 0.01,  0.01,  0.05)
177:     strbnd  (  0.788,  -0.295,  -1.704)  (  0.788,  -0.295,  -1.704)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.551,  -1.028,   0.811)  ( -0.551,  -1.028,   0.811)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.628,  -5.157,   1.404)  ( -3.628,  -5.157,   1.404)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       ( -0.120,   0.039,  -0.037)  ( -0.119,   0.040,  -0.033)  ( 0.01,  0.00,  0.01)
177:     bond    ( -0.328,  -0.292,  -3.901)  ( -0.328,  -0.292,  -3.897)  ( 0.00,  0.00,  0.08)
177:     angle   ( -0.446,   1.585,  -0.081)  ( -0.446,   1.585,  -0.081)  ( 0.02,  0.04,  0.00)
177:     strbnd  ( -0.722,   1.212,   0.784)  ( -0.722,   1.212,   0.784)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.435,   1.492,  -0.075)  ( -0.435,   1.492,  -0.075)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.812,  -3.957,   3.236)  (  1.812,  -3.957,   3.236)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 14       (  0.067,   0.147,  -0.288)  (  0.068,   0.148,  -0.285)  ( 0.00,  0.01,  0.08)
177:     bond    ( -0.175,   1.062,   2.357)  ( -0.175,   1.063,   2.360)  ( 0.00,  0.05,  0.12)
177:     angle   ( -0.080,  -0.961,   0.427)  ( -0.080,  -0.961,   0.427)  ( 0.00,  0.04,  0.00)
177:     strbnd  (  0.554,   0.475,  -1.094)  (  0.554,   0.475,  -1.094)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.550,   1.444,  -0.691)  ( -0.550,   1.444,  -0.691)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.318,  -1.873,  -1.287)  (  0.318,  -1.873,  -1.287)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 15       (  0.046,  -0.135,  -0.333)  (  0.047,  -0.133,  -0.331)  ( 0.00,  0.03,  0.06)
177:     bond    (  0.373,   1.480,  -1.330)  (  0.373,   1.482,  -1.328)  ( 0.00,  0.12,  0.11)
177:     angle   ( -2.004,   0.579,   0.084)  ( -2.004,   0.580,   0.085)  ( 0.03,  0.01,  0.00)
177:     strbnd  (  0.258,   0.339,   0.948)  (  0.258,   0.339,   0.948)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.462,  -0.620,  -0.562)  (  0.462,  -0.620,  -0.562)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.958,  -1.914,   0.528)  (  0.958,  -1.914,   0.528)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 16       ( -0.222,  -0.176,   0.346)  ( -0.217,  -0.175,   0.343)  ( 0.09,  0.02,  0.10)
177:     bond    (  0.758,  -0.200,   0.086)  (  0.762,  -0.200,   0.086)  ( 0.28,  0.01,  0.00)
177:     angle   (  0.078,   0.315,   0.044)  (  0.078,   0.315,   0.044)  ( 0.00,  0.02,  0.00)
177:     strbnd  ( -0.224,   0.410,  -0.006)  ( -0.224,   0.410,  -0.006)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.053,  -0.023,   0.416)  ( -0.053,  -0.023,   0.416)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.002,  -0.001,   0.014)  ( -0.001,  -0.001,   0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.370,  -0.087,  -0.051)  ( -0.370,  -0.087,  -0.051)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.409,  -0.590,  -0.156)  ( -0.409,  -0.590,  -0.156)  ( 0.00,  0.00,  0.00)
177: 17       ( -0.172,  -0.001,   0.210)  ( -0.170,   0.003,   0.205)  ( 0.02,  0.00,  0.11)
177:     bond    (  0.202,  -2.402,  -0.106)  (  0.202,  -2.398,  -0.106)  ( 0.00,  0.16,  0.00)
177:     angle   (  0.155,   0.010,   0.062)  (  0.156,   0.010,   0.062)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  0.312,   1.242,   0.101)  (  0.312,   1.242,   0.101)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.037,  -0.018,   0.329)  ( -0.037,  -0.018,   0.329)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.003,  -0.001,   0.025)  ( -0.002,  -0.001,   0.019)  ( 0.00,  0.00,  0.01)
177:     vdw     ( -0.532,   0.720,  -0.009)  ( -0.532,   0.720,  -0.009)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.269,   0.447,  -0.192)  ( -0.269,   0.447,  -0.192)  ( 0.00,  0.00,  0.00)
177: 18       ( -0.081,  -0.033,  -0.057)  ( -0.060,  -0.053,  -0.067)  ( 0.17,  0.07,  0.06)
177:     bond    ( -6.379,   0.928, -24.889)  ( -6.375,   0.931, -24.885)  ( 0.06,  0.30,  0.02)
177:     angle   (  9.056,   0.616,  23.534)  (  9.058,   0.619,  23.536)  ( 0.02,  0.14,  0.01)
177:     strbnd  ( -5.196,  -2.586,  -0.461)  ( -5.197,  -2.587,  -0.462)  ( 0.03,  0.04,  0.02)
177:     torsion (  1.569,  -1.208,   0.648)  (  1.569,  -1.208,   0.648)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.120,   0.144,   0.106)  ( -0.104,   0.120,   0.090)  ( 0.19,  0.35,  0.17)
177:     vdw     (  1.409,   4.724,  -3.655)  (  1.409,   4.724,  -3.655)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.420,  -2.651,   4.661)  ( -0.420,  -2.651,   4.661)  ( 0.00,  0.00,  0.00)
177: 19       ( -0.058,   0.004,   0.349)  ( -0.047,   0.015,   0.354)  ( 0.06,  0.00,  0.19)
177:     bond    ( -2.284,   1.490,  -1.564)  ( -2.281,   1.492,  -1.560)  ( 0.13,  0.13,  0.31)
177:     angle   ( -1.097,  -5.742,  -2.880)  ( -1.096,  -5.741,  -2.878)  ( 0.12,  0.02,  0.06)
177:     strbnd  (  3.814,  -3.033,   2.137)  (  3.814,  -3.033,   2.137)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.420,   0.671,  -0.162)  (  0.420,   0.672,  -0.162)  ( 0.02,  0.04,  0.00)
177:     oop     ( -0.056,  -0.065,   0.006)  ( -0.050,  -0.058,   0.005)  ( 0.04,  0.05,  0.00)
177:     vdw     ( -0.306,   9.504,   2.421)  ( -0.306,   9.504,   2.421)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.549,  -2.822,   0.391)  ( -0.549,  -2.822,   0.391)  ( 0.00,  0.00,  0.00)
177: 20       (  0.614,   0.560,   0.386)  (  0.502,   0.609,   0.460)  ( 6.89,  2.73,  2.86)
177:     bond    ( -2.231, -20.883,   8.347)  ( -2.227, -20.877,   8.352)  ( 0.15,  0.03,  0.06)
177:     angle   ( -4.426,  15.205,  -3.475)  ( -4.426,  15.207,  -3.473)  ( 0.02,  0.01,  0.05)
177:     strbnd  ( -4.771,  -2.312,  -7.995)  ( -4.772,  -2.313,  -7.996)  ( 0.01,  0.04,  0.02)
177:     torsion ( -2.925,   0.824,   1.217)  ( -2.924,   0.824,   1.217)  ( 0.01,  0.00,  0.00)
177:     oop     (  0.652,  -0.226,  -0.380)  (  0.536,  -0.185,  -0.311)  ( 7.57,  0.92,  2.60)
177:     vdw     (  7.151,   3.310,   3.612)  (  7.151,   3.310,   3.612)  ( 0.00,  0.00,  0.00)
177:     electro (  7.163,   4.641,  -0.940)  (  7.163,   4.641,  -0.940)  ( 0.00,  0.00,  0.00)
177: 21       ( -0.124,  -0.034,   0.051)  ( -0.123,  -0.033,   0.055)  ( 0.01,  0.00,  0.02)
177:     bond    ( -0.235,  -0.308,  -2.219)  ( -0.235,  -0.308,  -2.216)  ( 0.00,  0.00,  0.15)
177:     angle   (  4.698,  -5.851,   0.315)  (  4.699,  -5.850,   0.315)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -0.581,  -0.336,   1.443)  ( -0.581,  -0.336,   1.443)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.301,   0.144,   0.118)  ( -1.301,   0.144,   0.118)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.704,   6.318,   0.395)  ( -2.704,   6.318,   0.395)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       ( -0.190,  -0.210,  -0.397)  ( -0.195,  -0.220,  -0.390)  ( 0.10,  0.21,  0.27)
177:     bond    (  7.110,  -5.000,  16.974)  (  7.113,  -4.998,  16.979)  ( 0.05,  0.04,  0.03)
177:     angle   ( -2.542,   1.862,  -6.168)  ( -2.541,   1.862,  -6.166)  ( 0.04,  0.04,  0.03)
177:     strbnd  ( -2.998,   2.586,   2.923)  ( -2.998,   2.586,   2.923)  ( 0.00,  0.00,  0.01)
177:     torsion (  0.187,   0.206,   0.004)  (  0.187,   0.207,   0.004)  ( 0.01,  0.02,  0.00)
177:     oop     (  0.071,   0.090,  -0.001)  (  0.060,   0.076,  -0.000)  ( 0.07,  0.12,  0.00)
177:     vdw     ( -3.409,   1.113, -13.213)  ( -3.409,   1.113, -13.213)  ( 0.00,  0.01,  0.00)
177:     electro (  1.392,  -1.067,  -0.917)  (  1.392,  -1.067,  -0.917)  ( 0.00,  0.00,  0.00)
177: 23       ( -0.334,  -0.228,   0.485)  ( -0.328,  -0.223,   0.493)  ( 0.22,  0.13,  0.36)
177:     bond    ( -4.764,   3.427,  11.494)  ( -4.760,   3.429,  11.499)  ( 0.07,  0.06,  0.05)
177:     angle   (  1.122,  -0.757,   2.811)  (  1.123,  -0.756,   2.813)  ( 0.09,  0.04,  0.06)
177:     strbnd  (  2.035,  -1.610,  -1.356)  (  2.035,  -1.610,  -1.356)  ( 0.01,  0.01,  0.01)
177:     torsion ( -0.226,  -0.307,   0.011)  ( -0.225,  -0.307,   0.011)  ( 0.01,  0.03,  0.00)
177:     oop     ( -0.009,  -0.013,  -0.000)  ( -0.008,  -0.010,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.387,  -0.990, -13.718)  (  1.387,  -0.990, -13.718)  ( 0.00,  0.00,  0.00)
177:     electro (  0.120,   0.021,   1.244)  (  0.120,   0.021,   1.244)  ( 0.00,  0.00,  0.00)
177: 24       (  0.020,  -0.128,  -0.527)  (  0.034,  -0.112,  -0.520)  ( 0.03,  0.20,  0.37)
177:     bond    ( -7.605,   5.610,   5.554)  ( -7.601,   5.612,   5.560)  ( 0.05,  0.04,  0.10)
177:     angle   ( -1.737,   1.343,   0.082)  ( -1.736,   1.343,   0.083)  ( 0.06,  0.05,  0.01)
177:     strbnd  (  0.340,  -0.282,  -1.073)  (  0.340,  -0.282,  -1.073)  ( 0.00,  0.00,  0.02)
177:     torsion (  0.141,   0.176,   0.004)  (  0.142,   0.177,   0.004)  ( 0.01,  0.01,  0.00)
177:     oop     ( -0.055,  -0.073,  -0.001)  ( -0.046,  -0.061,  -0.001)  ( 0.05,  0.09,  0.00)
177:     vdw     (  9.119,  -7.021,  -4.701)  (  9.119,  -7.021,  -4.701)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.183,   0.118,  -0.392)  ( -0.183,   0.118,  -0.392)  ( 0.00,  0.00,  0.00)
177: 25       (  0.159,   0.213,   0.583)  (  0.143,   0.190,   0.589)  ( 0.26,  0.50,  0.38)
177:     bond    (-11.078,   8.736,  -4.694)  (-11.074,   8.738,  -4.688)  ( 0.03,  0.02,  0.12)
177:     angle   (  1.300,  -0.887,  -3.803)  (  1.301,  -0.886,  -3.801)  ( 0.08,  0.06,  0.05)
177:     strbnd  (  1.316,  -0.991,   0.244)  (  1.316,  -0.991,   0.244)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.076,  -0.091,   0.002)  ( -0.076,  -0.090,   0.002)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.140,   0.179,   0.005)  (  0.119,   0.152,   0.004)  ( 0.30,  0.49,  0.00)
177:     vdw     (  8.950,  -6.944,   9.005)  (  8.950,  -6.943,   9.005)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.393,   0.211,  -0.176)  ( -0.393,   0.211,  -0.176)  ( 0.00,  0.00,  0.00)
177: 26       (  0.084,   0.183,  -0.225)  (  0.142,   0.255,  -0.217)  ( 0.48,  1.32,  0.18)
177:     bond    ( -0.944,   0.846, -18.247)  ( -0.940,   0.848, -18.243)  ( 0.30,  0.17,  0.02)
177:     angle   (  7.126,  -5.296,   3.718)  (  7.127,  -5.296,   3.720)  ( 0.01,  0.01,  0.05)
177:     strbnd  ( -7.430,   5.904,   0.945)  ( -7.430,   5.904,   0.944)  ( 0.00,  0.00,  0.05)
177:     torsion ( -0.866,  -1.152,  -0.063)  ( -0.866,  -1.152,  -0.063)  ( 0.03,  0.06,  0.00)
177:     oop     ( -0.313,  -0.407,  -0.015)  ( -0.261,  -0.338,  -0.012)  ( 1.66,  2.81,  0.00)
177:     vdw     (  3.069,  -0.873,  13.253)  (  3.069,  -0.873,  13.253)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.557,   1.161,   0.184)  ( -0.557,   1.161,   0.184)  ( 0.00,  0.00,  0.00)
177: 27       ( -0.315,  -0.428,   0.139)  ( -0.314,  -0.427,   0.141)  ( 0.05,  0.03,  0.03)
177:     bond    (  2.446,  -1.770,   2.501)  (  2.447,  -1.769,   2.503)  ( 0.06,  0.04,  0.06)
177:     angle   ( -1.543,   1.181,   2.343)  ( -1.543,   1.181,   2.344)  ( 0.01,  0.01,  0.02)
177:     strbnd  ( -1.339,   0.977,  -0.789)  ( -1.339,   0.977,  -0.789)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.988,   1.336,  -0.022)  (  0.988,   1.336,  -0.022)  ( 0.01,  0.02,  0.00)
177:     oop     (  0.002,   0.003,  -0.000)  (  0.002,   0.002,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.259,  -2.708,  -3.410)  (  1.260,  -2.708,  -3.410)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.129,   0.554,  -0.484)  ( -2.129,   0.554,  -0.484)  ( 0.00,  0.00,  0.00)
177: 28       (  0.161,   0.473,  -0.074)  (  0.162,   0.473,  -0.072)  ( 0.01,  0.00,  0.01)
177:     bond    ( -1.791,   1.438,  -1.751)  ( -1.790,   1.439,  -1.750)  ( 0.08,  0.07,  0.08)
177:     angle   ( -0.694,   0.523,   1.139)  ( -0.694,   0.523,   1.139)  ( 0.01,  0.00,  0.04)
177:     strbnd  (  0.572,  -0.470,   0.906)  (  0.572,  -0.470,   0.906)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.222,   0.282,   0.005)  (  0.222,   0.283,   0.005)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.006,   0.008,   0.000)  (  0.005,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.510,  -1.901,  -1.427)  (  2.510,  -1.901,  -1.427)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.665,   0.593,   1.054)  ( -0.665,   0.593,   1.054)  ( 0.00,  0.00,  0.00)
177: 29       (  0.385,   0.558,   0.067)  (  0.367,   0.535,   0.068)  ( 0.68,  1.30,  0.01)
177:     bond    (  0.302,  -0.086,  -3.852)  (  0.302,  -0.086,  -3.850)  ( 0.00,  0.00,  0.06)
177:     angle   ( -6.191,   4.765,  -0.593)  ( -6.191,   4.765,  -0.593)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  0.076,   0.015,  -2.804)  (  0.076,   0.015,  -2.804)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.648,   0.848,   0.032)  (  0.648,   0.848,   0.032)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.111,   0.143,   0.005)  (  0.093,   0.120,   0.005)  ( 0.20,  0.34,  0.00)
177:     vdw     (  5.741,  -5.031,   8.170)  (  5.741,  -5.031,   8.171)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.302,  -0.096,  -0.891)  ( -0.302,  -0.096,  -0.891)  ( 0.00,  0.00,  0.00)
177: 30       ( -0.388,  -0.464,  -0.137)  ( -0.390,  -0.467,  -0.134)  ( 0.06,  0.11,  0.05)
177:     bond    ( -0.285,   0.192,   2.526)  ( -0.284,   0.192,   2.529)  ( 0.00,  0.00,  0.15)
177:     angle   (  0.191,  -0.141,   0.032)  (  0.191,  -0.141,   0.032)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.092,   0.073,  -0.831)  ( -0.092,   0.073,  -0.831)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.351,  -0.466,  -0.004)  ( -0.351,  -0.466,  -0.004)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.013,   0.017,   0.000)  (  0.011,   0.014,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.124,  -0.078,  -0.755)  (  0.124,  -0.078,  -0.755)  ( 0.00,  0.00,  0.00)
177:     electro (  0.011,  -0.061,  -1.105)  (  0.011,  -0.061,  -1.105)  ( 0.00,  0.00,  0.00)
177: 31       ( -0.193,   0.021,   0.101)  ( -0.196,   0.016,   0.102)  ( 0.05,  0.01,  0.01)
177:     bond    ( -1.807,   1.366,   0.917)  ( -1.805,   1.368,   0.917)  ( 0.11,  0.09,  0.05)
177:     angle   (  0.005,   0.002,   0.007)  (  0.005,   0.002,   0.008)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  0.452,  -0.351,  -0.140)  (  0.452,  -0.351,  -0.140)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.111,  -0.144,  -0.004)  ( -0.110,  -0.143,  -0.004)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.028,   0.036,   0.000)  (  0.023,   0.030,   0.000)  ( 0.01,  0.02,  0.00)
177:     vdw     (  0.558,  -0.417,  -0.304)  (  0.558,  -0.417,  -0.304)  ( 0.00,  0.00,  0.00)
177:     electro (  0.682,  -0.472,  -0.376)  (  0.682,  -0.472,  -0.376)  ( 0.00,  0.00,  0.00)
177: 32       ( -0.425,  -0.505,  -0.048)  ( -0.365,  -0.520,  -0.079)  ( 2.55,  0.73,  0.15)
177:     bond    ( -5.280,  -7.572,  -4.556)  ( -5.277,  -7.567,  -4.554)  ( 0.05,  0.06,  0.04)
177:     angle   ( -0.110,   0.279,  -0.337)  ( -0.110,   0.279,  -0.337)  ( 0.00,  0.01,  0.02)
177:     strbnd  (  1.293,   1.229,   1.466)  (  1.293,   1.229,   1.466)  ( 0.00,  0.01,  0.01)
177:     torsion (  1.739,  -0.595,  -1.027)  (  1.739,  -0.595,  -1.027)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.260,   0.090,   0.151)  ( -0.202,   0.070,   0.118)  ( 1.49,  0.18,  0.50)
177:     vdw     (  4.932,   0.142,   8.178)  (  4.933,   0.142,   8.178)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.741,   5.922,  -3.924)  ( -2.741,   5.922,  -3.924)  ( 0.00,  0.00,  0.00)
177: 33       (  0.059,   0.082,  -0.083)  (  0.093,   0.076,  -0.098)  ( 0.20,  0.05,  0.12)
177:     bond    (  4.715,   4.557,   6.062)  (  4.716,   4.560,   6.065)  ( 0.02,  0.07,  0.06)
177:     angle   ( -7.689, -18.240,  -5.025)  ( -7.688, -18.238,  -5.024)  ( 0.01,  0.01,  0.01)
177:     strbnd  (  3.295,  -2.419,   7.181)  (  3.295,  -2.419,   7.181)  ( 0.00,  0.01,  0.00)
177:     torsion ( -1.716,   0.412,   0.834)  ( -1.716,   0.412,   0.834)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.210,   0.072,   0.121)  ( -0.178,   0.061,   0.103)  ( 0.68,  0.08,  0.23)
177:     vdw     (  1.937,  10.751,  -6.247)  (  1.938,  10.752,  -6.247)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.274,   4.948,  -3.009)  ( -0.274,   4.948,  -3.009)  ( 0.00,  0.00,  0.00)
177: 34       (  0.389,   0.093,   0.080)  (  0.395,   0.098,   0.086)  ( 0.24,  0.05,  0.05)
177:     bond    ( -0.334,  -4.761,   2.356)  ( -0.329,  -4.757,   2.361)  ( 0.15,  0.10,  0.19)
177:     angle   (  0.189,   3.946,   0.226)  (  0.190,   3.948,   0.228)  ( 0.03,  0.05,  0.04)
177:     strbnd  (  0.552,   0.973,   0.402)  (  0.551,   0.972,   0.402)  ( 0.02,  0.16,  0.02)
177:     torsion (  1.469,  -0.111,  -0.152)  (  1.469,  -0.111,  -0.152)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.779,   1.527,  -7.078)  ( -3.779,   1.527,  -7.078)  ( 0.00,  0.00,  0.00)
177:     electro (  2.292,  -1.482,   4.326)  (  2.292,  -1.482,   4.326)  ( 0.00,  0.00,  0.00)
177: 35       (  0.303,   0.212,   0.053)  (  0.304,   0.213,   0.055)  ( 0.04,  0.01,  0.01)
177:     bond    (  0.249,   0.013,   0.448)  (  0.250,   0.013,   0.451)  ( 0.02,  0.00,  0.12)
177:     angle   (  0.291,   0.661,  -0.181)  (  0.291,   0.662,  -0.181)  ( 0.01,  0.04,  0.00)
177:     strbnd  ( -0.215,  -0.451,  -0.159)  ( -0.215,  -0.451,  -0.159)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.017,  -0.004,  -0.009)  (  0.017,  -0.004,  -0.009)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.039,  -0.007,  -0.046)  ( -0.039,  -0.007,  -0.046)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 36       (  0.432,   0.172,   0.118)  (  0.434,   0.174,   0.120)  ( 0.05,  0.03,  0.02)
177:     bond    (  0.425,  -0.592,  -0.547)  (  0.425,  -0.590,  -0.545)  ( 0.03,  0.08,  0.07)
177:     angle   (  1.840,  -0.935,   2.446)  (  1.841,  -0.935,   2.446)  ( 0.02,  0.03,  0.01)
177:     strbnd  (  0.155,  -0.679,  -0.026)  (  0.155,  -0.679,  -0.026)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.272,  -0.056,  -0.151)  ( -0.272,  -0.056,  -0.151)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.715,   2.434,  -1.604)  ( -1.715,   2.434,  -1.604)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 37       (  0.355,  -0.026,   0.062)  (  0.358,  -0.025,   0.062)  ( 0.11,  0.00,  0.00)
177:     bond    ( -0.517,  -0.155,   0.092)  ( -0.514,  -0.155,   0.092)  ( 0.16,  0.00,  0.00)
177:     angle   (  0.968,  -1.352,   3.151)  (  0.969,  -1.351,   3.152)  ( 0.01,  0.04,  0.01)
177:     strbnd  ( -0.412,  -0.566,   0.270)  ( -0.412,  -0.566,   0.270)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.011,  -0.098,  -0.229)  ( -0.011,  -0.098,  -0.229)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.326,   2.145,  -3.222)  (  0.326,   2.145,  -3.222)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 26 # gradients 
177: ok 27 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
177:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
177:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
177:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
177:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
177:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
177:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
177:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
177:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
177:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
177:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
177:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
177:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
177:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
177:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
177:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
177:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
177:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
177:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
177:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
177:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
177:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
177:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
177:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
177:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
177:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
177:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
177:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
177:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
177:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
177:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
177:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
177:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
177:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
177:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
177:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
177:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
177:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
177:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
177:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
177:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
177:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
177:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
177:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
177:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
177:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
177:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
177:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
177:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
177:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
177:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
177:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
177:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
177:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
177: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
177:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
177:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
177:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
177:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
177:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
177: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
177:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
177:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
177:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
177:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
177:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
177:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
177: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
177:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
177:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
177:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
177:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
177:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
177:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
177: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
177:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
177:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
177:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
177:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
177: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
177:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
177:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
177:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
177:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
177: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
177:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
177:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
177:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
177:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
177:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
177: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
177:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
177:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
177:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
177:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
177:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
177: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
177:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
177:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
177:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
177:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
177:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
177: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
177:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
177:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
177:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
177:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
177:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
177: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
177:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
177:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
177:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
177: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
177:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
177:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
177:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
177:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
177:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
177:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
177: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
177:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
177:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
177:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
177:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
177:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
177: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
177:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
177:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
177:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
177:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
177: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
177:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
177:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
177:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
177:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
177: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
177:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
177:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
177:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
177:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
177:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
177:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
177:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
177:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
177:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
177:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
177:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
177:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
177:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
177:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
177:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
177:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
177:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
177:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
177:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
177:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
177:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
177:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
177:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
177:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
177:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
177:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
177:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
177:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
177:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
177:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
177:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
177:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
177:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
177:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
177:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
177: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
177:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
177:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
177:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
177:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
177: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
177:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
177:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
177:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
177: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
177:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
177:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
177:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
177: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
177:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
177:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
177:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
177:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
177: ok 28 # gradients 
177: ok 29 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (-37.071, -81.376,  -8.715)  (-37.065, -81.370,  -8.711)  ( 0.01,  0.01,  0.06)
177:     bond    ( -6.927,  -6.224,   0.204)  ( -6.923,  -6.219,   0.208)  ( 0.06,  0.08,  0.07)
177:     angle   (-43.402, -92.594,  -5.039)  (-43.401, -92.592,  -5.037)  ( 0.00,  0.00,  0.03)
177:     strbnd  ( 17.017,  19.808,  -1.013)  ( 17.017,  19.807,  -1.014)  ( 0.00,  0.00,  0.03)
177:     torsion ( -0.140,   0.089,  -0.286)  ( -0.140,   0.089,  -0.286)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.619,  -2.454,  -2.581)  ( -3.619,  -2.454,  -2.581)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  2       (-39.440,   2.545,  50.699)  (-39.434,   2.550,  50.705)  ( 0.01,  0.18,  0.01)
177:     bond    (  2.221,   0.743,  -4.295)  (  2.225,   0.746,  -4.291)  ( 0.19,  0.23,  0.10)
177:     angle   (-30.186,   6.101,  43.460)  (-30.184,   6.103,  43.462)  ( 0.01,  0.03,  0.00)
177:     strbnd  ( -8.549,  -6.318,  14.014)  ( -8.550,  -6.318,  14.014)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.634,  -0.131,  -0.999)  ( -0.634,  -0.131,  -0.999)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.292,   2.150,  -1.482)  ( -2.292,   2.150,  -1.482)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       ( -1.587,  40.280, -47.662)  ( -1.722,  39.405, -48.005)  ( 8.54,  2.17,  0.72)
177:     bond    ( -0.509,   0.513,  -6.367)  ( -0.504,   0.517,  -6.364)  ( 0.25,  0.20,  0.05)
177:     angle   ( 13.510,  14.854, -42.989)  ( 13.512,  14.856, -42.987)  ( 0.01,  0.01,  0.00)
177:     strbnd  (-14.490,   2.857,  -6.469)  (-14.491,   2.857,  -6.469)  ( 0.01,  0.01,  0.01)
177:     torsion (  0.820,  13.476,   6.086)  (  0.820,  13.476,   6.086)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.965,   7.596,   5.726)  ( -1.106,   6.716,   5.379)  (13.62, 11.59,  6.06)
177:     vdw     (  0.470,   0.645,  -3.276)  (  0.471,   0.645,  -3.276)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.424,   0.339,  -0.373)  ( -0.424,   0.339,  -0.373)  ( 0.00,  0.00,  0.00)
177:  4       ( -3.751,  47.995,  62.741)  ( -3.746,  48.001,  62.747)  ( 0.14,  0.01,  0.01)
177:     bond    ( -1.086,   2.486,   9.511)  ( -1.082,   2.490,   9.516)  ( 0.33,  0.17,  0.05)
177:     angle   ( -4.863,  51.765,  70.840)  ( -4.861,  51.767,  70.842)  ( 0.04,  0.00,  0.00)
177:     strbnd  (  4.026, -10.734, -19.678)  (  4.025, -10.735, -19.679)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.144,   0.700,  -0.367)  (  0.144,   0.700,  -0.367)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.972,   3.779,   2.435)  ( -1.972,   3.779,   2.435)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       (-38.271, -131.602, -55.190)  (-37.474, -129.364, -53.224)  ( 2.08,  1.70,  3.56)
177:     bond    (  8.677, -20.361, -12.122)  (  8.681, -20.358, -12.120)  ( 0.05,  0.02,  0.02)
177:     angle   (-36.816, -71.485,  11.280)  (-36.815, -71.484,  11.281)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( 12.873,  -5.181,   7.752)  ( 12.873,  -5.181,   7.752)  ( 0.00,  0.00,  0.01)
177:     torsion (-12.225, -29.725, -36.119)  (-12.225, -29.725, -36.119)  ( 0.00,  0.00,  0.00)
177:     oop     ( -5.173, -18.341, -24.805)  ( -4.382, -16.108, -22.842)  (15.29, 12.17,  7.91)
177:     vdw     ( -5.982,  13.988,  -1.401)  ( -5.982,  13.988,  -1.401)  ( 0.00,  0.00,  0.00)
177:     electro (  0.375,  -0.497,   0.224)  (  0.375,  -0.497,   0.224)  ( 0.00,  0.00,  0.00)
177:  6       ( 59.513,  60.458,  25.145)  ( 58.727,  59.176,  24.316)  ( 1.32,  2.12,  3.30)
177:     bond    ( -6.489, -13.464,  18.197)  ( -6.484, -13.459,  18.199)  ( 0.07,  0.03,  0.01)
177:     angle   ( 37.474,  50.266, -17.881)  ( 37.475,  50.267, -17.880)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -3.586,  -8.839,   8.084)  ( -3.586,  -8.840,   8.084)  ( 0.01,  0.00,  0.00)
177:     torsion ( 14.651,  15.387,  15.614)  ( 14.652,  15.387,  15.614)  ( 0.00,  0.00,  0.00)
177:     oop     (  6.902,   8.223,   9.114)  (  6.110,   6.936,   8.282)  (11.47, 15.66,  9.13)
177:     vdw     ( 10.851,   9.567,  -8.214)  ( 10.851,   9.567,  -8.214)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.290,  -0.682,   0.230)  ( -0.290,  -0.682,   0.230)  ( 0.00,  0.00,  0.00)
177:  7       (-98.956, -30.139,   2.983)  (-97.624, -30.391,   3.584)  ( 1.35,  0.84, 20.16)
177:     bond    (-36.725,  -4.863,   0.794)  (-36.719,  -4.859,   0.795)  ( 0.01,  0.08,  0.10)
177:     angle   (-40.863, -11.120,  -0.055)  (-40.862, -11.119,  -0.054)  ( 0.00,  0.01,  0.00)
177:     strbnd  (-15.761, -19.921,  -0.231)  (-15.761, -19.921,  -0.231)  ( 0.00,  0.00,  0.00)
177:     torsion (-16.151,  -0.989,   6.996)  (-16.151,  -0.989,   6.996)  ( 0.00,  0.00,  0.01)
177:     oop     ( -6.016,   1.821,   0.042)  ( -4.691,   1.564,   0.642)  (22.03, 14.13,  2.51)
177:     vdw     ( 17.210,   4.832,  -4.353)  ( 17.210,   4.832,  -4.353)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.650,   0.102,  -0.210)  ( -0.650,   0.102,  -0.210)  ( 0.00,  0.00,  0.00)
177:  8       ( 42.185, -29.144,  98.083)  ( 40.890, -28.721,  95.733)  ( 3.07,  1.45,  2.40)
177:     bond    (  0.216,  13.908,  14.316)  (  0.219,  13.913,  14.318)  ( 0.06,  0.04,  0.01)
177:     angle   ( 11.911, -57.274,  71.476)  ( 11.912, -57.273,  71.477)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 12.084,  27.937,   5.019)  ( 12.083,  27.936,   5.019)  ( 0.00,  0.00,  0.00)
177:     torsion (  3.830,   0.035,  -3.860)  (  3.830,   0.035,  -3.861)  ( 0.00,  0.00,  0.00)
177:     oop     (  8.502,  -2.885,  10.470)  (  7.204,  -2.469,   8.117)  (15.27, 14.44, 22.47)
177:     vdw     (  7.198, -12.680,   2.190)  (  7.198, -12.679,   2.190)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.556,   1.815,  -1.528)  ( -1.556,   1.815,  -1.528)  ( 0.00,  0.00,  0.00)
177:  9       ( 32.579,  54.117, -119.425)  ( 31.952,  53.028, -118.703)  ( 1.92,  2.01,  0.60)
177:     bond    ( 10.817,   9.746, -28.895)  ( 10.820,   9.748, -28.889)  ( 0.03,  0.02,  0.02)
177:     angle   ( 35.048,  51.699, -72.855)  ( 35.049,  51.701, -72.854)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  0.568,  -4.532,  -8.148)  (  0.567,  -4.532,  -8.148)  ( 0.01,  0.00,  0.00)
177:     torsion ( -4.728,  -6.617, -17.279)  ( -4.728,  -6.618, -17.279)  ( 0.00,  0.01,  0.00)
177:     oop     (  1.204,   5.714,  -4.530)  (  0.573,   4.622,  -3.815)  (52.37, 19.12, 15.77)
177:     vdw     (-10.056,  -2.512,  13.221)  (-10.056,  -2.512,  13.222)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.274,   0.620,  -0.940)  ( -0.274,   0.620,  -0.940)  ( 0.00,  0.00,  0.00)
177: 10       ( -2.422, -19.944, 132.061)  ( -2.392, -20.229, 130.455)  ( 1.24,  1.43,  1.22)
177:     bond    ( 18.269,   6.335,   0.967)  ( 18.273,   6.339,   0.970)  ( 0.02,  0.07,  0.23)
177:     angle   (-27.608, -36.500,  84.948)  (-27.607, -36.499,  84.949)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( 12.909,   2.314,  -3.833)  ( 12.909,   2.313,  -3.833)  ( 0.00,  0.02,  0.00)
177:     torsion (  5.991,   6.815,  25.602)  (  5.992,   6.815,  25.602)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.582,   4.956,  14.815)  (  0.605,   4.666,  13.205)  ( 1.37,  5.85, 10.86)
177:     vdw     (-13.143,  -3.558,   9.953)  (-13.143,  -3.558,   9.953)  ( 0.00,  0.00,  0.00)
177:     electro (  0.579,  -0.306,  -0.390)  (  0.579,  -0.306,  -0.390)  ( 0.00,  0.00,  0.00)
177: 11       ( 47.658, -22.934, -63.453)  ( 37.369, -23.638, -54.855)  (21.59,  3.07, 13.55)
177:     bond    (-11.073,   2.546,  -4.952)  (-11.069,   2.550,  -4.949)  ( 0.04,  0.18,  0.08)
177:     angle   ( 14.987, -10.150, -58.721)  ( 14.989, -10.148, -58.720)  ( 0.01,  0.02,  0.00)
177:     strbnd  ( 17.268, -10.877,  11.808)  ( 17.267, -10.878,  11.807)  ( 0.00,  0.01,  0.01)
177:     torsion (  6.129,   3.198,  15.790)  (  6.129,   3.198,  15.790)  ( 0.00,  0.00,  0.00)
177:     oop     ( 18.909,  -6.132, -23.821)  (  8.614,  -6.841, -15.228)  (54.44, 11.57, 36.07)
177:     vdw     (  1.389,  -2.494,  -1.281)  (  1.389,  -2.494,  -1.281)  ( 0.00,  0.00,  0.00)
177:     electro (  0.050,   0.975,  -2.276)  (  0.050,   0.975,  -2.276)  ( 0.00,  0.00,  0.00)
177: 12       ( 31.693, -14.126, -65.659)  ( 31.699, -14.121, -65.654)  ( 0.02,  0.04,  0.01)
177:     bond    (  4.025,  -3.189,  -9.311)  (  4.029,  -3.185,  -9.307)  ( 0.10,  0.12,  0.05)
177:     angle   ( 35.137, -10.001, -64.710)  ( 35.139, -10.000, -64.708)  ( 0.01,  0.02,  0.00)
177:     strbnd  ( -5.006,   4.101,  11.332)  ( -5.006,   4.101,  11.331)  ( 0.01,  0.01,  0.01)
177:     torsion ( -2.865,  -1.801,  -0.962)  ( -2.865,  -1.801,  -0.962)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.401,  -3.237,  -2.009)  (  0.401,  -3.237,  -2.009)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       (-44.560, -77.865, 136.018)  (-23.829, -75.824, 121.163)  (46.52,  2.62, 10.92)
177:     bond    ( -2.460,   4.359,  -8.933)  ( -2.456,   4.363,  -8.924)  ( 0.18,  0.08,  0.10)
177:     angle   ( 29.524, -109.944, 134.355)  ( 29.525, -109.943, 134.355)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-14.951,  10.444, -24.236)  (-14.952,  10.444, -24.237)  ( 0.01,  0.01,  0.01)
177:     torsion (  1.176,  -3.022,  -8.395)  (  1.176,  -3.022,  -8.396)  ( 0.06,  0.00,  0.01)
177:     oop     (-59.918,  23.973,  41.115)  (-39.191,  26.010,  26.252)  (34.59,  8.49, 36.15)
177:     vdw     (  2.638,  -3.488,   3.777)  (  2.638,  -3.488,   3.777)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.568,  -0.188,  -1.665)  ( -0.568,  -0.188,  -1.665)  ( 0.00,  0.00,  0.00)
177: 14       (-73.793,  -5.351, -43.764)  (-74.002,  -4.993, -43.416)  ( 0.28,  6.69,  0.79)
177:     bond    (  2.608,   8.877,  -3.192)  (  2.609,   8.883,  -3.190)  ( 0.05,  0.08,  0.06)
177:     angle   (-96.717,  12.033, -55.420)  (-96.718,  12.033, -55.421)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -4.852, -11.840,   5.276)  ( -4.852, -11.840,   5.276)  ( 0.00,  0.00,  0.00)
177:     torsion ( 10.732,   0.866,  11.025)  ( 10.727,   0.866,  11.022)  ( 0.04,  0.00,  0.03)
177:     oop     ( 12.415, -11.706,  -6.666)  ( 12.210, -11.356,  -6.316)  ( 1.65,  3.00,  5.26)
177:     vdw     (  1.533,  -1.793,   3.152)  (  1.533,  -1.793,   3.152)  ( 0.00,  0.00,  0.00)
177:     electro (  0.489,  -1.787,   2.061)  (  0.489,  -1.787,   2.061)  ( 0.00,  0.00,  0.00)
177: 15       ( 69.217, 103.058, -57.300)  ( 59.276, 101.483, -50.491)  (14.36,  1.53, 11.88)
177:     bond    (  2.268,   0.918,   3.526)  (  2.270,   0.919,   3.532)  ( 0.12,  0.04,  0.18)
177:     angle   ( 44.112, 114.284, -58.082)  ( 44.112, 114.285, -58.082)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  4.938,   2.167,   7.080)  (  4.938,   2.167,   7.080)  ( 0.01,  0.01,  0.00)
177:     torsion ( -3.970,   1.783,   2.088)  ( -3.970,   1.783,   2.088)  ( 0.00,  0.00,  0.00)
177:     oop     ( 25.969,  -6.898, -14.899)  ( 16.024,  -8.474,  -8.097)  (38.29, 22.85, 45.66)
177:     vdw     (  0.595,  -0.501,   0.672)  (  0.595,  -0.501,   0.672)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.694,  -8.696,   2.316)  ( -4.694,  -8.696,   2.316)  ( 0.00,  0.00,  0.00)
177: 16       ( 10.862,  32.599,  -5.193)  ( 10.865,  32.600,  -5.193)  ( 0.03,  0.00,  0.01)
177:     bond    ( 12.564,  -2.116,  -0.282)  ( 12.567,  -2.116,  -0.282)  ( 0.02,  0.01,  0.00)
177:     angle   (  5.837,  35.355,  -5.146)  (  5.837,  35.356,  -5.145)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -6.059,   0.924,   0.108)  ( -6.059,   0.924,   0.108)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.025,   0.048,   0.772)  (  0.025,   0.048,   0.772)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.506,  -1.612,  -0.646)  ( -1.506,  -1.612,  -0.646)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 17       ( 23.103,  21.401, -13.776)  ( 23.104,  21.402, -13.774)  ( 0.00,  0.01,  0.01)
177:     bond    (  0.013,   7.722,   8.189)  (  0.013,   7.723,   8.191)  ( 0.00,  0.02,  0.02)
177:     angle   ( 23.319,  18.754, -17.721)  ( 23.319,  18.754, -17.721)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -0.112,  -4.214,  -4.433)  ( -0.112,  -4.214,  -4.433)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.254,  -0.191,   0.179)  (  0.254,  -0.191,   0.179)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.370,  -0.670,   0.010)  ( -0.370,  -0.670,   0.010)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 18       ( 33.905,  23.432,  15.855)  ( 33.905,  23.433,  15.857)  ( 0.00,  0.01,  0.01)
177:     bond    (  0.412,   8.070,  -8.784)  (  0.412,   8.072,  -8.782)  ( 0.00,  0.02,  0.02)
177:     angle   ( 35.086,  20.894,  20.850)  ( 35.086,  20.894,  20.850)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -0.271,  -3.980,   4.289)  ( -0.271,  -3.980,   4.289)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.050,  -0.044,  -0.038)  (  0.050,  -0.044,  -0.038)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.372,  -1.509,  -0.461)  ( -1.372,  -1.509,  -0.461)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 19       (  7.842,  13.549,  15.910)  (  7.843,  13.550,  15.912)  ( 0.01,  0.01,  0.01)
177:     bond    (  4.298,  -5.557,  10.878)  (  4.298,  -5.556,  10.880)  ( 0.01,  0.01,  0.02)
177:     angle   (  5.140,  17.037,   6.669)  (  5.140,  17.038,   6.669)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.222,   0.518,  -1.052)  ( -0.222,   0.518,  -1.052)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.333,  -0.021,  -0.143)  (  0.333,  -0.021,  -0.143)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.708,   1.572,  -0.443)  ( -1.707,   1.572,  -0.443)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       ( 24.224,   9.746,   3.735)  ( 24.225,   9.747,   3.737)  ( 0.00,  0.01,  0.06)
177:     bond    (  0.205,   8.145,  12.537)  (  0.205,   8.145,  12.539)  ( 0.00,  0.01,  0.02)
177:     angle   ( 25.409,   2.588,  -2.097)  ( 25.410,   2.588,  -2.096)  ( 0.00,  0.01,  0.01)
177:     strbnd  ( -0.027,  -1.112,  -1.794)  ( -0.027,  -1.112,  -1.794)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.559,  -0.957,   0.631)  ( -0.559,  -0.957,   0.631)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.804,   1.083,  -5.542)  ( -0.804,   1.083,  -5.542)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 21       (-14.013,  -5.680, -13.049)  (-14.012,  -5.678, -13.048)  ( 0.01,  0.05,  0.00)
177:     bond    ( -4.768, -11.721,   2.019)  ( -4.767, -11.719,   2.019)  ( 0.01,  0.02,  0.01)
177:     angle   ( -9.742,   1.595, -13.739)  ( -9.741,   1.596, -13.738)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  0.618,   1.701,  -0.398)  (  0.618,   1.701,  -0.398)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.143,   0.073,   0.763)  (  0.143,   0.073,   0.763)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.264,   2.671,  -1.694)  ( -0.263,   2.671,  -1.694)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       (-11.466, -17.731, -34.136)  (-11.464, -17.730, -34.135)  ( 0.02,  0.00,  0.00)
177:     bond    ( 10.515,  -3.031,  -3.787)  ( 10.517,  -3.031,  -3.787)  ( 0.02,  0.01,  0.01)
177:     angle   (-17.099, -17.314, -33.631)  (-17.099, -17.314, -33.630)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -4.687,   1.352,   1.833)  ( -4.687,   1.352,   1.833)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.036,  -0.401,   0.221)  ( -0.036,  -0.401,   0.221)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.159,   1.663,   1.228)  ( -0.159,   1.663,   1.228)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       (  9.654, -14.702, -18.379)  (  9.655, -14.701, -18.377)  ( 0.01,  0.01,  0.01)
177:     bond    ( -3.691,   5.903, -11.062)  ( -3.691,   5.904, -11.060)  ( 0.01,  0.01,  0.02)
177:     angle   ( 12.954, -19.869, -14.929)  ( 12.955, -19.869, -14.929)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  1.489,  -2.332,   4.677)  (  1.489,  -2.332,   4.677)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.247,  -0.126,   0.015)  ( -0.247,  -0.126,   0.015)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.851,   1.721,   2.920)  ( -0.851,   1.721,   2.920)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       ( 14.540,  -7.004, -26.289)  ( 14.541,  -7.001, -26.288)  ( 0.01,  0.04,  0.00)
177:     bond    ( -4.182,  -9.280,  -1.526)  ( -4.182,  -9.277,  -1.526)  ( 0.01,  0.03,  0.01)
177:     angle   ( 17.244,  -3.364, -26.810)  ( 17.244,  -3.364, -26.810)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  2.112,   4.668,   0.929)  (  2.112,   4.668,   0.929)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.199,  -0.107,   0.107)  (  0.199,  -0.107,   0.107)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.832,   1.079,   1.011)  ( -0.832,   1.079,   1.011)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       ( -2.146,  11.421,  -4.557)  ( -2.080,  11.484,  -4.381)  ( 3.09,  0.55,  3.87)
177:     bond    ( -0.517,  -0.905,   0.501)  ( -0.517,  -0.903,   0.502)  ( 0.04,  0.21,  0.04)
177:     angle   ( -5.394,   1.536,  -2.786)  ( -5.394,   1.537,  -2.786)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  4.247,   7.387,  -3.525)  (  4.247,   7.387,  -3.525)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.245,   2.897,   3.928)  ( -1.245,   2.897,   3.928)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.602,  -0.657,  -1.800)  ( -0.537,  -0.596,  -1.625)  ( 3.91,  3.97,  9.75)
177:     vdw     (  1.342,   0.777,  -0.631)  (  1.342,   0.777,  -0.631)  ( 0.00,  0.00,  0.00)
177:     electro (  0.023,   0.386,  -0.243)  (  0.023,   0.386,  -0.243)  ( 0.00,  0.00,  0.00)
177: 26       (  8.264,  -9.314, -14.985)  (  7.913,  -9.070, -14.378)  ( 4.25,  2.62,  4.05)
177:     bond    (  0.510,   0.130,   0.247)  (  0.513,   0.130,   0.248)  ( 0.15,  0.00,  0.02)
177:     angle   ( -0.687,  -4.473,   3.772)  ( -0.687,  -4.472,   3.772)  ( 0.00,  0.01,  0.00)
177:     strbnd  ( -3.764,  -0.803,  -0.766)  ( -3.764,  -0.803,  -0.766)  ( 0.00,  0.00,  0.01)
177:     torsion (  8.777,  -3.424, -16.387)  (  8.777,  -3.424, -16.387)  ( 0.00,  0.00,  0.00)
177:     oop     (  1.606,  -0.922,  -2.844)  (  1.252,  -0.679,  -2.237)  (22.07, 22.40, 21.34)
177:     vdw     (  1.106,  -0.058,   0.139)  (  1.106,  -0.058,   0.139)  ( 0.00,  0.00,  0.00)
177:     electro (  0.715,   0.236,   0.855)  (  0.715,   0.236,   0.855)  ( 0.00,  0.00,  0.00)
177: 27       ( -9.529,  -0.985,   0.936)  ( -8.994,  -0.277,   0.839)  ( 5.61, 69.82,  9.15)
177:     bond    ( -0.257,   0.039,  -1.081)  ( -0.257,   0.039,  -1.078)  ( 0.01,  0.00,  0.33)
177:     angle   ( -2.751,   5.638,   0.859)  ( -2.751,   5.638,   0.859)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.092,   0.684,  -4.568)  ( -0.092,   0.685,  -4.568)  ( 0.00,  0.00,  0.00)
177:     torsion ( -4.710,  -4.641,   0.953)  ( -4.710,  -4.641,   0.953)  ( 0.00,  0.00,  0.00)
177:     oop     ( -2.117,  -3.288,   0.385)  ( -1.584,  -2.580,   0.284)  (25.20, 21.55,  3.90)
177:     vdw     ( -0.554,   0.339,   2.803)  ( -0.554,   0.339,   2.803)  ( 0.00,  0.00,  0.00)
177:     electro (  0.953,   0.243,   1.585)  (  0.953,   0.243,   1.585)  ( 0.00,  0.00,  0.00)
177: 28       (-35.688,  35.118, -12.756)  (-35.489,  35.165, -12.454)  ( 0.56,  0.13,  2.37)
177:     bond    ( -0.608,  -0.110,   0.410)  ( -0.606,  -0.110,   0.411)  ( 0.16,  0.00,  0.05)
177:     angle   (-20.084,  33.989, -20.477)  (-20.083,  33.989, -20.477)  ( 0.00,  0.00,  0.00)
177:     strbnd  (-11.144,  -1.712,   8.116)  (-11.144,  -1.712,   8.116)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.403,   5.730,  -0.531)  ( -1.403,   5.730,  -0.531)  ( 0.00,  0.00,  0.00)
177:     oop     ( -1.298,  -1.456,  -2.303)  ( -1.102,  -1.410,  -2.002)  (15.09,  3.14, 13.07)
177:     vdw     ( -0.679,  -1.424,   2.000)  ( -0.679,  -1.424,   2.000)  ( 0.00,  0.00,  0.00)
179: # Testing MMFF94 Force Field...
179: ok 1 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : 
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       ( -2.053,   0.415,  -0.337)  ( -2.105,   0.368,  -0.075)  ( 2.53,  1.96,  8.81)
179:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
179:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
179:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
179:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
179:     electro (  0.486,   0.087,   0.038)  (  0.486,   0.087,   0.038)  ( 0.00,  0.00,  0.00)
179:  2       (  0.088,   0.178,   0.659)  (  0.225,   0.295,   0.137)  ( 1.20,  2.08, 34.38)
179:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
179:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
179:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
179:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
179:     electro (  0.052,  -0.254,  -0.057)  (  0.052,  -0.254,  -0.057)  ( 0.00,  0.00,  0.00)
179:  3       (  0.944,   1.074,   0.464)  (  0.859,   1.006,   0.824)  ( 8.03,  6.34, 16.68)
179:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
179:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
179:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
179:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
179:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
179:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.569,   0.038,  -0.166)  ( -0.569,   0.038,  -0.166)  ( 0.00,  0.00,  0.00)
179:  4       (  0.427,  -1.622,  -0.238)  (  0.436,  -1.613,  -0.247)  ( 0.36,  0.57,  0.21)
179:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
179:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
179:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
179:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
179:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
179:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
179:     electro (  0.349,   0.071,  -0.029)  (  0.349,   0.071,  -0.029)  ( 0.00,  0.00,  0.00)
179:  5       ( -6.203,   2.397,   1.174)  ( -6.193,   2.403,   1.165)  ( 0.15,  0.28,  0.83)
179:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
179:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
179:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
179:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
179:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.343,   0.567,  -0.136)  ( -0.343,   0.567,  -0.136)  ( 0.00,  0.00,  0.00)
179:  6       (  1.625,  -1.131,  -0.206)  (  1.645,  -1.109,  -0.266)  ( 1.28,  1.91,  1.23)
179:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
179:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
179:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
179:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
179:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.144,   0.140,   0.062)  ( -0.144,   0.140,   0.062)  ( 0.00,  0.00,  0.00)
179:  7       ( -1.018,  -0.292,  -0.300)  ( -1.008,  -0.282,  -0.315)  ( 0.96,  0.31,  0.44)
179:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
179:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
179:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
179:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
179:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
179:     electro (  0.448,  -0.945,  -0.018)  (  0.448,  -0.945,  -0.018)  ( 0.00,  0.00,  0.00)
179:  8       ( -1.004,   2.236,   0.069)  ( -1.034,   2.210,   0.203)  ( 3.05,  1.13,  0.92)
179:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
179:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
179:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
179:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
179:     electro (  0.013,  -0.285,   0.000)  (  0.013,  -0.285,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (  0.351,  -0.939,   0.203)  (  0.357,  -0.933,   0.209)  ( 0.20,  0.53,  0.11)
179:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
179:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
179:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
179:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
179:     electro (  0.040,  -0.039,  -0.079)  (  0.040,  -0.039,  -0.079)  ( 0.00,  0.00,  0.00)
179: 10       (  0.625,  -1.053,  -0.035)  (  0.652,  -1.028,  -0.117)  ( 1.68,  2.30,  0.29)
179:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
179:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
179:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
179:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
179:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.080,  -0.003,  -0.041)  ( -0.080,  -0.003,  -0.041)  ( 0.00,  0.00,  0.00)
179: 11       ( -0.026,  -0.445,  -0.490)  ( -0.012,  -0.431,  -0.525)  ( 0.04,  0.66,  1.67)
179:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
179:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
179:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
179:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
179:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
179:     electro (  0.189,   0.026,   0.145)  (  0.189,   0.026,   0.145)  ( 0.00,  0.00,  0.00)
179: 12       (  0.717,  -9.657,   1.652)  (  0.730,  -9.654,   1.624)  ( 0.90,  0.03,  1.69)
179:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
179:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
179:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
179:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
179:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
179:     electro (  0.012,  -0.260,   0.065)  (  0.012,  -0.260,   0.065)  ( 0.00,  0.00,  0.00)
179: 13       (  2.460,  -6.087,   1.095)  (  2.467,  -6.080,   1.098)  ( 0.27,  0.12,  0.31)
179:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
179:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
179:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
179:     electro (  0.099,   0.153,  -0.002)  (  0.099,   0.153,  -0.002)  ( 0.00,  0.00,  0.00)
179: 14       ( -0.730,  -2.358,   0.160)  ( -0.723,  -2.352,   0.165)  ( 0.49,  0.28,  0.07)
179:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
179:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
179:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
179:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.202,   0.073,  -0.025)  ( -0.202,   0.073,  -0.025)  ( 0.00,  0.00,  0.00)
179: 15       (  2.261,  -0.162,   0.226)  (  2.268,  -0.156,   0.225)  ( 0.30,  0.10,  0.02)
179:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
179:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
179:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
179:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
179:     electro (  0.256,  -0.023,   0.038)  (  0.256,  -0.023,   0.038)  ( 0.00,  0.00,  0.00)
179: 16       ( 12.486,   1.008,   1.043)  ( 12.490,   1.019,   1.066)  ( 0.04,  1.05,  2.16)
179:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
179:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
179:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
179:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
179:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.038,   0.307,  -0.033)  ( -0.038,   0.307,  -0.033)  ( 0.00,  0.00,  0.00)
179: 17       (-13.149,  41.872,  -7.596)  (-13.137,  41.873,  -7.641)  ( 0.08,  0.00,  0.59)
179:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
179:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
179:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
179:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
179:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.100,  -0.286,  -0.023)  ( -0.100,  -0.286,  -0.023)  ( 0.00,  0.00,  0.00)
179: 18       ( 44.495,  -1.551,   2.301)  ( 44.490,  -1.525,   2.423)  ( 0.01,  1.69,  5.31)
179:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
179:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
179:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
179:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
179:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.078,   0.101,  -0.023)  ( -0.078,   0.101,  -0.023)  ( 0.00,  0.00,  0.00)
179: 19       ( 69.047,  18.195,  -0.422)  ( 69.073,  18.159,  -0.719)  ( 0.04,  0.20, 12.52)
179:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
179:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
179:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.186,  -0.044,   0.051)  ( -0.186,  -0.044,   0.051)  ( 0.00,  0.00,  0.00)
179: 20       (-66.666,   1.027,  -3.814)  (-66.673,   1.059,  -3.645)  ( 0.01,  3.11,  4.42)
179:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
179:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
179:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
179:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
179:     electro (  0.371,  -0.228,   0.325)  (  0.371,  -0.228,   0.325)  ( 0.00,  0.00,  0.00)
179: 21       (-41.992, -33.111,   1.581)  (-41.994, -33.087,   1.701)  ( 0.00,  0.07,  7.60)
179:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
179:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
179:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
179:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
179:     electro ( -1.339,  -0.127,   0.128)  ( -1.339,  -0.127,   0.128)  ( 0.00,  0.00,  0.00)
179: 22       (-10.516,   3.652,  -0.202)  (-10.513,   3.656,  -0.202)  ( 0.02,  0.11,  0.01)
179:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
179:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
179:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
179:     electro (  2.494,  -0.076,  -0.023)  (  2.494,  -0.076,  -0.023)  ( 0.00,  0.00,  0.00)
179: 23       (  1.691,   0.137,   0.101)  (  1.691,   0.137,   0.111)  ( 0.01,  0.00,  0.10)
179:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
179:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
179:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
179:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.200,  -0.165,  -0.054)  ( -0.200,  -0.165,  -0.054)  ( 0.00,  0.00,  0.00)
179: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
179:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
179:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
179:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
179:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
179:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
179:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
179:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
179:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
179:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
179:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
179:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
179:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
179:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
179:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
179:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
179:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
179:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
179:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
179:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
179:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
179:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
179:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
179:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
179:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
179:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
179:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
179:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
179:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
179:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
179:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       (  1.245,  -1.321,   0.243)  (  1.246,  -1.318,   0.245)  ( 0.14,  0.22,  0.04)
179:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
179:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
179:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
179:     electro (  0.168,   0.031,   0.005)  (  0.168,   0.031,   0.005)  ( 0.00,  0.00,  0.00)
179: 36       ( -2.391,   0.421,  -0.415)  ( -2.388,   0.421,  -0.415)  ( 0.15,  0.03,  0.01)
179:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
179:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
179:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
179:     electro (  0.194,  -0.038,   0.022)  (  0.194,  -0.038,   0.022)  ( 0.00,  0.00,  0.00)
179: 37       ( -1.434,   2.065,  -0.475)  ( -1.433,   2.068,  -0.473)  ( 0.07,  0.16,  0.09)
179:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
179:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
179:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.004,  -0.149,   0.017)  ( -0.004,  -0.149,   0.017)  ( 0.00,  0.00,  0.00)
179: 38       (  1.261,  -0.145,   0.322)  (  1.263,  -0.142,   0.326)  ( 0.13,  0.04,  0.10)
179:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
179:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
179:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.324,   0.454,  -0.114)  ( -0.324,   0.454,  -0.114)  ( 0.00,  0.00,  0.00)
179: 39       (  8.893, -15.193,   1.966)  (  8.900, -15.196,   1.907)  ( 0.09,  0.02,  2.99)
179:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
179:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
179:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.565,   0.871,  -0.073)  ( -1.565,   0.871,  -0.073)  ( 0.00,  0.00,  0.00)
179: ok 2 # gradients 
179: ok 3 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (  1.985,   1.075,   0.562)  (  1.994,   1.082,   0.564)  ( 0.43,  0.62,  0.10)
179:     bond    (  5.237,   0.172,   1.390)  (  5.245,   0.178,   1.391)  ( 0.15,  0.09,  0.04)
179:     angle   ( -3.469,   1.277,  -0.875)  ( -3.468,   1.279,  -0.875)  ( 0.03,  0.14,  0.01)
179:     strbnd  (  1.478,   0.534,   0.407)  (  1.477,   0.533,   0.407)  ( 0.04,  0.03,  0.00)
179:     torsion ( -0.001,  -0.000,   0.002)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.604,  -0.435,  -0.173)  ( -0.604,  -0.435,  -0.173)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.656,  -0.472,  -0.188)  ( -0.656,  -0.472,  -0.188)  ( 0.00,  0.00,  0.00)
179:  2       ( -0.035,   0.614,  -0.000)  ( -0.026,   0.621,   0.002)  ( 0.03,  0.42,  0.00)
179:     bond    ( -4.097,   4.193,  -0.946)  ( -4.089,   4.199,  -0.946)  ( 0.20,  0.13,  0.06)
179:     angle   (  6.070,  -3.235,   1.494)  (  6.071,  -3.233,   1.494)  ( 0.02,  0.06,  0.02)
179:     strbnd  ( -2.009,  -0.344,  -0.542)  ( -2.010,  -0.344,  -0.542)  ( 0.03,  0.02,  0.00)
179:     torsion (  0.001,   0.000,  -0.005)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (  0.889,   0.122,   0.242)  (  0.890,   0.124,   0.242)  ( 0.13,  0.03,  0.01)
179:     bond    (  1.119,   1.704,   0.350)  (  1.120,   1.706,   0.350)  ( 0.10,  0.15,  0.00)
179:     angle   (  1.146,  -0.809,   0.277)  (  1.146,  -0.809,   0.277)  ( 0.03,  0.02,  0.00)
179:     strbnd  ( -0.382,  -0.759,  -0.125)  ( -0.382,  -0.759,  -0.125)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,  -0.000,   0.003)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.717,  -0.020,  -0.190)  ( -0.717,  -0.020,  -0.190)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.275,   0.006,  -0.072)  ( -0.275,   0.006,  -0.072)  ( 0.00,  0.00,  0.00)
179:  4       (  0.533,  -0.554,   0.119)  (  0.534,  -0.551,   0.119)  ( 0.07,  0.16,  0.00)
179:     bond    (  1.259,  -2.407,   0.256)  (  1.260,  -2.404,   0.256)  ( 0.06,  0.12,  0.00)
179:     angle   (  2.423,   1.342,   0.683)  (  2.423,   1.343,   0.683)  ( 0.02,  0.01,  0.00)
179:     strbnd  ( -0.083,   0.405,  -0.009)  ( -0.083,   0.405,  -0.009)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.868,  -0.122,  -0.761)  ( -2.868,  -0.122,  -0.761)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.198,   0.228,  -0.045)  ( -0.198,   0.228,  -0.045)  ( 0.00,  0.00,  0.00)
179:  5       ( -1.377,  -1.164,  -0.402)  ( -1.376,  -1.161,  -0.402)  ( 0.09,  0.26,  0.01)
179:     bond    ( -0.396,   0.799,  -0.079)  ( -0.395,   0.802,  -0.079)  ( 0.03,  0.24,  0.00)
179:     angle   ( -2.535,  -1.318,  -0.711)  ( -2.535,  -1.318,  -0.711)  ( 0.02,  0.01,  0.00)
179:     strbnd  (  0.514,  -0.809,   0.110)  (  0.514,  -0.809,   0.110)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,   0.000,  -0.002)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.567,  -0.187,   0.144)  (  0.567,  -0.187,   0.144)  ( 0.00,  0.00,  0.00)
179:     electro (  0.472,   0.351,   0.136)  (  0.472,   0.351,   0.136)  ( 0.00,  0.00,  0.00)
179:  6       ( -2.292,  -0.999,  -0.620)  ( -2.286,  -0.988,  -0.619)  ( 0.27,  1.07,  0.09)
179:     bond    ( -3.396,  -4.839,  -1.050)  ( -3.390,  -4.829,  -1.049)  ( 0.15,  0.21,  0.05)
179:     angle   ( -3.250,   2.439,  -0.769)  ( -3.249,   2.440,  -0.768)  ( 0.03,  0.02,  0.06)
179:     strbnd  (  0.484,   0.974,   0.159)  (  0.484,   0.974,   0.159)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,  -0.000,   0.004)  ( -0.001,  -0.000,   0.004)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.977,   0.183,   0.792)  (  2.977,   0.183,   0.792)  ( 0.00,  0.00,  0.00)
179:     electro (  0.894,   0.243,   0.244)  (  0.894,   0.243,   0.244)  ( 0.00,  0.00,  0.00)
179:  7       (  0.265,   0.865,   0.092)  (  0.269,   0.873,   0.093)  ( 0.11,  0.67,  0.01)
179:     bond    (  0.245,   0.341,   0.076)  (  0.249,   0.348,   0.077)  ( 0.10,  0.26,  0.00)
179:     angle   ( -0.389,   0.299,  -0.100)  ( -0.389,   0.299,  -0.099)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.646,   0.581,   0.189)  (  0.646,   0.581,   0.189)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.237,  -0.356,  -0.074)  ( -0.237,  -0.356,  -0.074)  ( 0.00,  0.00,  0.00)
179: ok 4 # gradients 
179: ok 5 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (  0.639,   0.075,  -0.164)  (  0.645,   0.078,  -0.160)  ( 0.33,  0.02,  0.07)
179:     bond    (  4.786,   0.643,  -1.120)  (  4.790,   0.648,  -1.116)  ( 0.08,  0.30,  0.40)
179:     angle   ( -4.248,  -1.205,   2.065)  ( -4.246,  -1.204,   2.067)  ( 0.04,  0.13,  0.09)
179:     strbnd  (  1.309,   0.175,  -0.296)  (  1.308,   0.175,  -0.297)  ( 0.05,  0.01,  0.02)
179:     torsion (  0.038,  -0.180,   0.270)  (  0.038,  -0.180,   0.270)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   0.019,   0.011)  ( -0.000,   0.016,   0.009)  ( 0.00,  0.01,  0.00)
179:     vdw     ( -0.992,   0.534,  -0.937)  ( -0.992,   0.534,  -0.937)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.255,   0.090,  -0.157)  ( -0.255,   0.090,  -0.157)  ( 0.00,  0.00,  0.00)
179:  2       (  0.112,  -0.042,   0.049)  (  0.120,  -0.042,   0.054)  ( 0.08,  0.00,  0.03)
179:     bond    ( -6.313,   3.829,  -6.633)  ( -6.307,   3.832,  -6.625)  ( 0.09,  0.07,  0.12)
179:     angle   ( 14.795,   1.490,  -2.461)  ( 14.798,   1.491,  -2.460)  ( 0.02,  0.05,  0.06)
179:     strbnd  ( -8.362,  -5.365,   9.214)  ( -8.362,  -5.366,   9.212)  ( 0.01,  0.01,  0.02)
179:     torsion ( -0.008,  -0.021,  -0.086)  ( -0.008,  -0.021,  -0.086)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.026,   0.015)  (  0.000,   0.022,   0.012)  ( 0.00,  0.01,  0.00)
179:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       ( -2.634,   4.586,  -7.960)  ( -2.632,   4.583,  -7.958)  ( 0.10,  0.07,  0.03)
179:     bond    ( -1.795,  -1.762,   3.022)  ( -1.793,  -1.760,   3.028)  ( 0.11,  0.11,  0.18)
179:     angle   ( -8.883,   2.272,  -3.938)  ( -8.882,   2.272,  -3.938)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  5.080,   5.487,  -9.440)  (  5.080,   5.487,  -9.440)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,  -0.052,  -0.030)  (  0.000,  -0.052,  -0.030)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   0.025,   0.014)  ( -0.000,   0.020,   0.012)  ( 0.00,  0.01,  0.00)
179:     vdw     (  2.113,   0.148,  -0.250)  (  2.113,   0.148,  -0.250)  ( 0.00,  0.00,  0.00)
179:     electro (  0.850,  -1.532,   2.661)  (  0.850,  -1.532,   2.661)  ( 0.00,  0.00,  0.00)
179:  4       ( -0.053,  -0.027,   0.018)  ( -0.044,   0.028,   0.054)  ( 0.05,  0.15,  0.06)
179:     bond    (  1.797,  -0.285,   0.335)  (  1.804,  -0.284,   0.341)  ( 0.39,  0.05,  0.18)
179:     angle   ( -6.314,   1.453,  -2.828)  ( -6.313,   1.453,  -2.827)  ( 0.03,  0.02,  0.04)
179:     strbnd  (  0.607,  -1.012,   1.791)  (  0.607,  -1.012,   1.791)  ( 0.01,  0.01,  0.02)
179:     torsion (  0.002,   0.484,   0.279)  (  0.002,   0.484,   0.279)  ( 0.00,  0.02,  0.00)
179:     oop     (  0.001,  -0.313,  -0.179)  (  0.001,  -0.260,  -0.148)  ( 0.00,  1.66,  0.54)
179:     vdw     (  3.855,  -0.353,   0.619)  (  3.855,  -0.353,   0.619)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( -0.729,  -1.632,   2.845)  ( -0.727,  -1.654,   2.835)  ( 0.10,  1.35,  0.35)
179:     bond    ( -2.157,  -2.229,   3.948)  ( -2.156,  -2.228,   3.951)  ( 0.04,  0.04,  0.08)
179:     angle   ( -0.484,   0.182,  -0.161)  ( -0.483,   0.182,  -0.161)  ( 0.03,  0.00,  0.00)
179:     strbnd  (  0.577,   0.505,  -0.902)  (  0.577,   0.505,  -0.902)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.003,  -0.213,  -0.121)  ( -0.003,  -0.213,  -0.121)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.125,   0.071)  (  0.000,   0.102,   0.058)  ( 0.00,  0.29,  0.09)
179:     vdw     (  1.088,  -0.556,   0.972)  (  1.088,  -0.556,   0.972)  ( 0.00,  0.00,  0.00)
179:     electro (  0.249,   0.553,  -0.960)  (  0.249,   0.553,  -0.960)  ( 0.00,  0.00,  0.00)
179:  6       (  2.555,  -2.666,   4.624)  (  2.560,  -2.683,   4.614)  ( 0.20,  0.63,  0.20)
179:     bond    (  3.250,   0.122,  -0.167)  (  3.255,   0.122,  -0.167)  ( 0.15,  0.00,  0.00)
179:     angle   (  0.458,  -3.605,   6.307)  (  0.458,  -3.605,   6.308)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -0.266,  -0.042,   0.065)  ( -0.266,  -0.042,   0.065)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,  -0.156,  -0.091)  (  0.001,  -0.156,  -0.091)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.001,   0.118,   0.067)  ( -0.001,   0.101,   0.058)  ( 0.00,  0.20,  0.07)
179:     vdw     ( -0.044,   0.008,  -0.015)  ( -0.044,   0.008,  -0.015)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.845,   0.890,  -1.543)  ( -0.845,   0.890,  -1.543)  ( 0.00,  0.00,  0.00)
179:  7       ( -0.050,  -0.182,   0.030)  ( -0.049,  -0.179,   0.030)  ( 0.00,  0.06,  0.00)
179:     bond    (  0.021,   0.069,  -0.002)  (  0.021,   0.073,  -0.002)  ( 0.00,  0.02,  0.00)
179:     angle   (  1.553,  -0.437,   0.860)  (  1.553,  -0.437,   0.860)  ( 0.03,  0.00,  0.04)
179:     strbnd  (  0.368,   0.645,  -0.047)  (  0.368,   0.645,  -0.047)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.015,   0.001,  -0.149)  ( -0.015,   0.001,  -0.149)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.977,  -0.460,  -0.633)  ( -1.977,  -0.460,  -0.633)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       ( -0.053,   0.067,   0.183)  ( -0.052,   0.068,   0.186)  ( 0.00,  0.01,  0.05)
179:     bond    (  0.017,  -0.029,  -0.055)  (  0.018,  -0.028,  -0.053)  ( 0.00,  0.00,  0.01)
179:     angle   (  1.567,  -0.533,   0.815)  (  1.568,  -0.532,   0.815)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.370,  -0.276,  -0.582)  (  0.370,  -0.276,  -0.582)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.016,   0.130,  -0.075)  ( -0.016,   0.130,  -0.075)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.992,   0.775,   0.081)  ( -1.992,   0.775,   0.081)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (  0.179,  -0.202,   0.342)  (  0.180,  -0.201,   0.344)  ( 0.02,  0.02,  0.08)
179:     bond    (  0.367,  -0.375,   0.641)  (  0.368,  -0.374,   0.643)  ( 0.02,  0.03,  0.13)
179:     angle   (  1.546,   0.380,  -0.664)  (  1.547,   0.380,  -0.664)  ( 0.03,  0.01,  0.01)
179:     strbnd  (  0.317,  -0.116,   0.199)  (  0.317,  -0.116,   0.199)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.052,  -0.097,   0.162)  ( -2.052,  -0.097,   0.162)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 6 # gradients 
179: ok 7 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (  2.140,  -0.166,   0.754)  (  2.145,  -0.160,   0.760)  ( 0.24,  0.10,  0.43)
179:     bond    ( -4.893,   2.856,  -3.005)  ( -4.889,   2.861,  -3.000)  ( 0.09,  0.16,  0.15)
179:     angle   (  1.859,  -4.639,   2.751)  (  1.861,  -4.637,   2.752)  ( 0.10,  0.04,  0.06)
179:     strbnd  (  0.352,  -0.450,   0.642)  (  0.351,  -0.450,   0.641)  ( 0.05,  0.03,  0.04)
179:     torsion ( -0.296,  -0.439,   0.009)  ( -0.296,  -0.439,   0.009)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.689,   2.322,   0.608)  (  5.689,   2.322,   0.608)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.570,   0.183,  -0.250)  ( -0.570,   0.183,  -0.250)  ( 0.00,  0.00,  0.00)
179:  2       ( -0.776,  -0.622,  -0.218)  ( -0.780,  -0.606,  -0.189)  ( 0.23,  0.97,  0.62)
179:     bond    (  7.306,  -2.470,   3.157)  (  7.312,  -2.468,   3.158)  ( 0.07,  0.08,  0.02)
179:     angle   (  2.892,   8.647,  -4.003)  (  2.893,   8.648,  -4.002)  ( 0.01,  0.02,  0.01)
179:     strbnd  (-10.808,  -7.207,  -0.152)  (-10.809,  -7.207,  -0.152)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.221,   0.486,   0.955)  ( -0.221,   0.486,   0.955)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.054,  -0.078,  -0.175)  (  0.045,  -0.066,  -0.147)  ( 0.04,  0.09,  0.48)
179:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (  0.077,  -0.215,  -0.263)  (  0.077,  -0.212,  -0.263)  ( 0.01,  0.07,  0.02)
179:     bond    (  0.045,   0.977,   0.187)  (  0.045,   0.980,   0.187)  ( 0.00,  0.32,  0.00)
179:     angle   ( -5.704,   0.511,  -1.299)  ( -5.703,   0.511,  -1.299)  ( 0.01,  0.00,  0.04)
179:     strbnd  ( -0.435,   0.449,  -0.226)  ( -0.435,   0.449,  -0.226)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.156,  -0.037,   0.231)  ( -0.156,  -0.037,   0.231)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.326,  -2.115,   0.844)  (  6.326,  -2.115,   0.844)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       ( -0.154,  -0.035,   0.283)  ( -0.151,  -0.034,   0.284)  ( 0.04,  0.00,  0.03)
179:     bond    ( -0.518,  -0.212,   0.225)  ( -0.515,  -0.211,   0.226)  ( 0.13,  0.01,  0.01)
179:     angle   (  0.309,  -0.045,   0.666)  (  0.310,  -0.044,   0.666)  ( 0.01,  0.00,  0.03)
179:     strbnd  ( -0.108,   0.417,  -0.398)  ( -0.108,   0.418,  -0.398)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.012,  -0.211,  -0.225)  ( -0.012,  -0.211,  -0.225)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.175,   0.014,   0.016)  (  0.175,   0.014,   0.016)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( -0.220,  -0.180,  -0.107)  ( -0.219,  -0.179,  -0.104)  ( 0.01,  0.01,  0.04)
179:     bond    (  0.005,  -0.076,  -0.456)  (  0.005,  -0.076,  -0.453)  ( 0.00,  0.00,  0.15)
179:     angle   ( -1.188,  -0.996,   0.154)  ( -1.187,  -0.996,   0.154)  ( 0.05,  0.05,  0.00)
179:     strbnd  ( -0.441,   0.249,  -0.473)  ( -0.441,   0.249,  -0.473)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.429,   0.568,  -0.091)  (  0.429,   0.568,  -0.091)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.975,   0.076,   0.758)  (  0.975,   0.076,   0.758)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (  0.815,   1.141,  -0.215)  (  0.856,   1.101,  -0.316)  ( 3.35,  3.49,  2.17)
179:     bond    ( -0.770,  -0.798,   0.110)  ( -0.761,  -0.793,   0.112)  ( 0.74,  0.41,  0.02)
179:     angle   ( -6.533,  -4.058,  -0.587)  ( -6.531,  -4.056,  -0.587)  ( 0.02,  0.05,  0.02)
179:     strbnd  ( 13.048,   4.199,   2.149)  ( 13.046,   4.199,   2.149)  ( 0.02,  0.01,  0.01)
179:     torsion (  0.259,  -0.370,  -0.890)  (  0.259,  -0.370,  -0.889)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.183,   0.268,   0.599)  ( -0.151,   0.221,   0.495)  ( 0.59,  1.25,  6.20)
179:     vdw     ( -5.005,   1.900,  -1.595)  ( -5.005,   1.900,  -1.595)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       ( -2.349,   0.240,  -0.842)  ( -2.356,   0.262,  -0.794)  ( 0.32,  0.54,  4.02)
179:     bond    ( -1.232,   0.565,  -0.626)  ( -1.226,   0.566,  -0.625)  ( 0.52,  0.08,  0.10)
179:     angle   ( -0.414,  -0.699,   0.179)  ( -0.414,  -0.698,   0.179)  ( 0.01,  0.04,  0.00)
179:     strbnd  ( -1.351,   0.487,  -0.628)  ( -1.351,   0.487,  -0.628)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.063,   0.092,   0.208)  ( -0.063,   0.092,   0.208)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.065,  -0.095,  -0.213)  (  0.051,  -0.074,  -0.167)  ( 0.09,  0.19,  0.98)
179:     vdw     ( -0.079,   0.007,  -0.027)  ( -0.079,   0.007,  -0.027)  ( 0.00,  0.00,  0.00)
179:     electro (  0.727,  -0.117,   0.266)  (  0.727,  -0.117,   0.266)  ( 0.00,  0.00,  0.00)
179:  8       (  0.435,  -0.189,   0.589)  (  0.427,  -0.172,   0.621)  ( 0.38,  0.32,  1.92)
179:     bond    (  0.028,  -0.862,   0.394)  (  0.028,  -0.860,   0.395)  ( 0.00,  0.24,  0.02)
179:     angle   (  8.772,   1.272,   2.136)  (  8.772,   1.272,   2.136)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.253,   1.856,  -0.912)  ( -0.253,   1.856,  -0.912)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.061,  -0.089,  -0.197)  (  0.061,  -0.089,  -0.197)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.065,  -0.096,  -0.213)  (  0.055,  -0.081,  -0.181)  ( 0.06,  0.14,  0.68)
179:     vdw     ( -8.081,  -2.204,  -0.604)  ( -8.081,  -2.204,  -0.604)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.157,  -0.066,  -0.016)  ( -0.157,  -0.066,  -0.016)  ( 0.00,  0.00,  0.00)
179: ok 8 # gradients 
179: ok 9 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (  6.021,  -8.841,  15.336)  (  6.025,  -8.837,  15.339)  ( 0.07,  0.04,  0.02)
179:     bond    ( 13.697, -19.381,  33.622)  ( 13.700, -19.379,  33.624)  ( 0.02,  0.02,  0.01)
179:     angle   ( -4.188,   5.759,  -9.944)  ( -4.187,   5.761,  -9.942)  ( 0.03,  0.02,  0.02)
179:     strbnd  ( -3.294,   4.646,  -8.104)  ( -3.295,   4.645,  -8.105)  ( 0.02,  0.01,  0.01)
179:     torsion ( -0.194,   0.135,  -0.238)  ( -0.194,   0.135,  -0.238)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       ( -9.933,  -2.704,   4.639)  ( -9.929,  -2.699,   4.644)  ( 0.04,  0.19,  0.11)
179:     bond    (-13.151,   0.001,   0.002)  (-13.148,   0.005,   0.006)  ( 0.03,  0.00,  0.00)
179:     angle   ( -5.431,  -2.186,   3.739)  ( -5.429,  -2.184,   3.741)  ( 0.03,  0.08,  0.04)
179:     strbnd  (  4.098,  -2.031,   3.530)  (  4.097,  -2.031,   3.529)  ( 0.04,  0.02,  0.01)
179:     torsion ( -0.000,   0.166,  -0.285)  (  0.000,   0.166,  -0.285)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (  3.813,   8.396,   5.795)  (  3.819,   8.400,   5.800)  ( 0.14,  0.05,  0.09)
179:     bond    (  4.362,  12.392,  -0.017)  (  4.366,  12.395,  -0.013)  ( 0.09,  0.03,  0.01)
179:     angle   (  3.888,   4.351,   3.744)  (  3.890,   4.353,   3.746)  ( 0.05,  0.04,  0.04)
179:     strbnd  (  0.568,  -4.531,   3.529)  (  0.568,  -4.532,   3.529)  ( 0.03,  0.03,  0.01)
179:     torsion (  0.479,  -0.170,   0.882)  (  0.479,  -0.170,   0.882)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (  3.726,  -9.185,  -4.409)  (  3.731,  -9.180,  -4.405)  ( 0.14,  0.05,  0.09)
179:     bond    (  4.377,  -6.197, -10.754)  (  4.381,  -6.194, -10.751)  ( 0.09,  0.06,  0.03)
179:     angle   (  3.836,  -5.397,  -1.958)  (  3.837,  -5.396,  -1.956)  ( 0.05,  0.03,  0.09)
179:     strbnd  (  0.555,  -0.774,   5.727)  (  0.555,  -0.774,   5.725)  ( 0.03,  0.04,  0.02)
179:     torsion (  0.478,  -0.675,   0.585)  (  0.478,  -0.675,   0.585)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( -2.313,  28.066,   0.105)  ( -2.312,  28.068,   0.106)  ( 0.04,  0.01,  0.01)
179:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
179:     angle   (  1.760,   0.623,  -0.007)  (  1.760,   0.623,  -0.006)  ( 0.03,  0.00,  0.00)
179:     strbnd  ( -1.908,  -0.349,   0.000)  ( -1.908,  -0.349,   0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,   0.152)  (  0.000,   0.000,   0.152)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       ( -9.233, -13.275,  23.034)  ( -9.232, -13.274,  23.036)  ( 0.01,  0.01,  0.01)
179:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
179:     angle   (  1.828,  -0.303,   0.571)  (  1.829,  -0.302,   0.572)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -1.910,   0.171,  -0.295)  ( -1.910,   0.171,  -0.295)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.472,   0.102,   0.028)  ( -0.472,   0.102,   0.028)  ( 0.00,  0.00,  0.00)
177: 29       (  6.269,   4.842,  17.665)  (  6.271,   4.844,  17.666)  ( 0.04,  0.03,  0.00)
177:     bond    ( 13.347,   7.815,   1.928)  ( 13.349,   7.816,   1.928)  ( 0.02,  0.01,  0.01)
177:     angle   ( -3.942,   1.678,  20.486)  ( -3.942,   1.679,  20.487)  ( 0.01,  0.03,  0.00)
177:     strbnd  ( -1.485,  -0.391,  -0.372)  ( -1.485,  -0.391,  -0.372)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.296,   0.484,   0.090)  ( -0.296,   0.484,   0.090)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.355,  -4.745,  -4.467)  ( -1.355,  -4.744,  -4.467)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       ( -8.350,   0.131,  25.967)  ( -8.349,   0.134,  25.968)  ( 0.01,  0.04,  0.00)
177:     bond    ( -1.481,  11.557,   2.165)  ( -1.481,  11.560,   2.165)  ( 0.01,  0.03,  0.01)
177:     angle   ( -9.788,  -6.150,  26.139)  ( -9.788,  -6.150,  26.139)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  0.626,  -4.365,  -1.021)  (  0.626,  -4.365,  -1.021)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.782,   0.049,   0.957)  (  1.782,   0.049,   0.957)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.511,  -0.961,  -2.273)  (  0.511,  -0.961,  -2.273)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 31       (-14.899,  11.820,  16.748)  (-14.898,  11.820,  16.750)  ( 0.01,  0.01,  0.01)
177:     bond    (  5.176,  -2.757,  10.225)  (  5.177,  -2.757,  10.227)  ( 0.01,  0.01,  0.02)
177:     angle   (-19.241,  13.946,  13.498)  (-19.241,  13.947,  13.498)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -2.072,   1.072,  -4.471)  ( -2.072,   1.072,  -4.471)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.541,   0.941,  -0.020)  (  0.541,   0.941,  -0.020)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.698,  -1.382,  -2.484)  (  0.698,  -1.382,  -2.484)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 32       ( -4.993,  10.176,  24.023)  ( -4.991,  10.177,  24.024)  ( 0.05,  0.01,  0.00)
177:     bond    (-10.690,  -3.803,   2.337)  (-10.687,  -3.803,   2.338)  ( 0.02,  0.01,  0.01)
177:     angle   (  0.606,  13.614,  24.917)  (  0.606,  13.614,  24.917)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  3.553,   1.168,  -0.972)  (  3.553,   1.168,  -0.972)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.030,   0.061,  -0.037)  ( -0.030,   0.061,  -0.037)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.567,  -0.863,  -2.222)  (  1.567,  -0.863,  -2.222)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 33       ( 19.334, -14.895, -24.368)  ( 19.332, -14.890, -24.369)  ( 0.01,  0.03,  0.00)
177:     bond    ( -4.753, -12.511,   5.560)  ( -4.753, -12.507,   5.561)  ( 0.01,  0.03,  0.01)
177:     angle   ( 21.861, -17.415, -20.481)  ( 21.860, -17.414, -20.482)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  2.809,   8.054,  -3.331)  (  2.809,   8.054,  -3.331)  ( 0.00,  0.00,  0.00)
177:     torsion ( -6.332,  -0.435,  -6.389)  ( -6.334,  -0.435,  -6.390)  ( 0.02,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.007,   0.074,  -0.052)  (  0.007,   0.074,  -0.052)  ( 0.00,  0.00,  0.00)
177:     electro (  5.743,   7.338,   0.326)  (  5.743,   7.338,   0.326)  ( 0.00,  0.00,  0.00)
177: ok 30 # gradients 
177: ok 31 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( -0.255,  -0.617,   1.068)  ( -0.201,  -0.530,   0.886)  ( 1.38,  5.33, 17.03)
177:     bond    (  6.922,   0.175,   2.287)  (  6.926,   0.180,   2.292)  ( 0.06,  0.08,  0.20)
177:     angle   ( -5.931,   2.410,   0.271)  ( -5.930,   2.412,   0.272)  ( 0.03,  0.08,  0.04)
177:     strbnd  (  0.198,   0.872,   0.213)  (  0.197,   0.872,   0.213)  ( 0.01,  0.04,  0.01)
177:     torsion (  0.468,  -0.938,  -1.518)  (  0.468,  -0.938,  -1.518)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.334,  -0.538,   1.283)  ( -0.285,  -0.457,   1.096)  ( 1.63,  4.32, 14.61)
177:     vdw     ( -0.832,  -1.739,  -0.997)  ( -0.832,  -1.739,  -0.997)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.746,  -0.859,  -0.471)  ( -0.746,  -0.859,  -0.471)  ( 0.00,  0.00,  0.00)
177:  2       (  0.399,   1.062,  -2.385)  (  0.187,   0.693,  -1.476)  ( 8.42, 34.69, 38.11)
177:     bond    ( -2.739,   1.957,  -0.129)  ( -2.733,   1.965,  -0.128)  ( 0.24,  0.42,  0.02)
177:     angle   ( 14.443,  -7.136,   1.147)  ( 14.446,  -7.134,   1.148)  ( 0.02,  0.02,  0.06)
177:     strbnd  ( -7.334,   6.670,   1.385)  ( -7.335,   6.668,   1.385)  ( 0.01,  0.03,  0.02)
177:     torsion ( -0.041,   0.220,   0.015)  ( -0.041,   0.220,   0.016)  ( 0.00,  0.00,  0.00)
177:     oop     (  1.254,   2.136,  -5.164)  (  1.034,   1.760,  -4.257)  (17.50, 17.63, 17.56)
177:     vdw     ( -4.625,  -1.230,  -1.537)  ( -4.625,  -1.230,  -1.537)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.559,  -1.556,   1.897)  ( -0.559,  -1.556,   1.897)  ( 0.00,  0.00,  0.00)
177:  3       (  0.099,  -0.104,  -0.377)  (  0.100,  -0.101,  -0.376)  ( 0.01,  0.03,  0.02)
177:     bond    (  0.134,   0.394,  -0.032)  (  0.135,   0.397,  -0.032)  ( 0.00,  0.12,  0.00)
177:     angle   (  1.589,  -0.626,  -1.067)  (  1.590,  -0.626,  -1.067)  ( 0.03,  0.00,  0.04)
177:     strbnd  (  0.319,   0.162,   0.070)  (  0.319,   0.162,   0.070)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.213,   0.132,   0.739)  ( -0.213,   0.132,   0.739)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.730,  -0.167,  -0.086)  ( -1.730,  -0.167,  -0.086)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  4       (  0.072,   0.361,  -0.277)  (  0.073,   0.362,  -0.276)  ( 0.01,  0.05,  0.04)
177:     bond    (  0.230,  -0.232,  -0.242)  (  0.231,  -0.231,  -0.241)  ( 0.03,  0.03,  0.03)
177:     angle   (  3.596,   2.214,   1.320)  (  3.596,   2.214,   1.320)  ( 0.01,  0.01,  0.02)
177:     strbnd  (  0.657,  -0.379,  -0.320)  (  0.657,  -0.379,  -0.320)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.067,   0.385,  -0.305)  (  0.067,   0.385,  -0.305)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.478,  -1.627,  -0.730)  ( -4.478,  -1.627,  -0.730)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       ( -0.048,   0.159,   0.077)  ( -0.047,   0.160,   0.080)  ( 0.00,  0.01,  0.02)
177:     bond    (  0.002,  -0.007,   0.018)  (  0.002,  -0.007,   0.021)  ( 0.00,  0.00,  0.01)
177:     angle   (  0.435,  -0.097,  -0.074)  (  0.436,  -0.096,  -0.074)  ( 0.02,  0.00,  0.00)
177:     strbnd  (  0.316,  -0.158,   0.593)  (  0.316,  -0.158,   0.593)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.071,   0.501,   0.170)  ( -0.071,   0.501,   0.170)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.730,  -0.080,  -0.631)  ( -0.730,  -0.080,  -0.631)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  6       ( -0.044,  -0.320,   0.515)  (  0.046,  -0.160,   0.153)  ( 0.39,  5.13, 18.69)
177:     bond    ( -2.835,   3.345,   0.762)  ( -2.831,   3.350,   0.763)  ( 0.13,  0.16,  0.02)
177:     angle   ( -1.494,  -1.139,  -0.542)  ( -1.493,  -1.138,  -0.541)  ( 0.03,  0.02,  0.01)
177:     strbnd  (  7.239,  -8.454,  -1.930)  (  7.239,  -8.454,  -1.930)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.145,   0.220,  -0.431)  (  0.145,   0.220,  -0.431)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.410,  -0.742,   1.739)  ( -0.325,  -0.588,   1.376)  ( 3.49, 11.48, 20.89)
177:     vdw     ( -4.309,  -6.669,  -2.520)  ( -4.309,  -6.669,  -2.520)  ( 0.00,  0.00,  0.00)
177:     electro (  1.620,  13.118,   3.437)  (  1.620,  13.118,   3.437)  ( 0.00,  0.00,  0.00)
177:  7       ( -1.084,  -2.080,   4.678)  ( -0.929,  -1.820,   4.094)  (14.27, 12.52, 12.48)
177:     bond    ( 17.866,  -2.904,   4.744)  ( 17.871,  -2.899,   4.745)  ( 0.03,  0.18,  0.03)
177:     angle   ( -8.512,  -0.397,  -1.184)  ( -8.510,  -0.396,  -1.183)  ( 0.02,  0.07,  0.06)
177:     strbnd  (  0.437,  -1.121,  -0.832)  (  0.437,  -1.122,  -0.833)  ( 0.02,  0.06,  0.02)
177:     torsion ( -1.314,  -1.588,   4.757)  ( -1.314,  -1.588,   4.757)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.890,  -1.592,   3.617)  ( -0.742,  -1.338,   3.031)  (13.16, 15.96, 16.21)
177:     vdw     (  1.892,   2.121,   0.955)  (  1.893,   2.121,   0.955)  ( 0.01,  0.00,  0.00)
177:     electro (-10.563,   3.402,  -7.378)  (-10.563,   3.402,  -7.378)  ( 0.00,  0.00,  0.00)
177:  8       (  0.362,   0.876,  -1.744)  (  0.339,   0.818,  -1.626)  ( 0.81,  5.07,  6.74)
177:     bond    ( -1.088,   0.983,   0.272)  ( -1.086,   0.985,   0.272)  ( 0.24,  0.21,  0.00)
177:     angle   ( -1.860,  -1.398,  -2.356)  ( -1.859,  -1.398,  -2.356)  ( 0.02,  0.02,  0.01)
177:     strbnd  ( -0.431,   2.009,   1.109)  ( -0.431,   2.009,   1.109)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.185,   0.569,  -1.322)  (  0.185,   0.569,  -1.322)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.183,   0.439,  -0.858)  (  0.158,   0.378,  -0.741)  ( 0.46,  2.64, 10.05)
177:     vdw     (  1.404,   2.236,   1.130)  (  1.404,   2.236,   1.130)  ( 0.00,  0.00,  0.00)
177:     electro (  1.969,  -3.962,   0.282)  (  1.969,  -3.962,   0.282)  ( 0.00,  0.00,  0.00)
177:  9       ( -0.244,   0.022,  -1.499)  (  0.767,   0.942,  -1.037)  (24.71,  1.98, 30.81)
177:     bond    ( -7.812,  -8.638,  -5.588)  ( -7.808,  -8.633,  -5.586)  ( 0.05,  0.05,  0.04)
177:     angle   ( 12.778,  11.374,  19.741)  ( 12.780,  11.376,  19.743)  ( 0.02,  0.02,  0.01)
177:     strbnd  (  4.362,   3.842,  -7.340)  (  4.361,   3.842,  -7.341)  ( 0.02,  0.02,  0.01)
177:     torsion ( -1.339,  -2.456,  -4.051)  ( -1.339,  -2.456,  -4.051)  ( 0.00,  0.00,  0.00)
177:     oop     ( -4.053,  -4.498,  -2.741)  ( -3.047,  -3.584,  -2.283)  (24.82, 20.32, 16.71)
177:     vdw     (  0.230,   3.142,   1.240)  (  0.230,   3.143,   1.240)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.410,  -2.746,  -2.761)  ( -4.410,  -2.746,  -2.761)  ( 0.00,  0.00,  0.00)
177: 10       ( -2.185,  -5.140,  -3.398)  ( -2.240,  -4.992,  -3.264)  ( 2.50,  2.89,  3.97)
177:     bond    ( -0.630,   1.775,  12.572)  ( -0.627,   1.778,  12.577)  ( 0.18,  0.16,  0.04)
177:     angle   (  6.045,   0.014, -16.923)  (  6.048,   0.016, -16.921)  ( 0.04,  0.00,  0.01)
177:     strbnd  ( -7.393,  -1.780,  -1.355)  ( -7.394,  -1.782,  -1.356)  ( 0.01,  0.08,  0.05)
177:     torsion ( -2.978,   1.047,  -0.463)  ( -2.978,   1.047,  -0.463)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.874,  -2.291,  -1.521)  ( -0.933,  -2.145,  -1.392)  ( 5.17,  6.34,  8.45)
177:     vdw     (  2.417,   3.304,   0.233)  (  2.417,   3.304,   0.233)  ( 0.00,  0.00,  0.00)
177:     electro (  1.227,  -7.208,   4.059)  (  1.227,  -7.208,   4.059)  ( 0.00,  0.00,  0.00)
177: 11       (  3.745,  17.929,   6.367)  (  4.378,  17.893,   6.474)  (16.89,  0.20,  1.69)
177:     bond    ( 10.742,   6.592,  -1.930)  ( 10.747,   6.594,  -1.926)  ( 0.05,  0.02,  0.18)
177:     angle   ( -4.937, -17.076,   7.817)  ( -4.936, -17.075,   7.819)  ( 0.04,  0.01,  0.03)
177:     strbnd  ( -1.830,  -0.656,   3.895)  ( -1.830,  -0.657,   3.894)  ( 0.03,  0.03,  0.01)
177:     torsion (  5.606,  14.261,  -6.736)  (  5.606,  14.261,  -6.736)  ( 0.00,  0.00,  0.00)
177:     oop     ( -1.916,   3.215,   0.391)  ( -1.291,   3.177,   0.494)  (32.66,  1.18,  4.02)
177:     vdw     ( -1.251,   1.961,   1.619)  ( -1.251,   1.961,   1.619)  ( 0.01,  0.00,  0.00)
177:     electro ( -2.668,   9.632,   1.310)  ( -2.668,   9.632,   1.309)  ( 0.00,  0.00,  0.00)
177: 12       ( -0.015,  -0.043,  -0.016)  ( -0.014,  -0.042,  -0.013)  ( 0.00,  0.01,  0.00)
177:     bond    ( -0.064,  -0.227,  -0.383)  ( -0.063,  -0.226,  -0.380)  ( 0.00,  0.02,  0.10)
177:     angle   ( -5.122,  -0.874,   1.372)  ( -5.121,  -0.873,   1.372)  ( 0.01,  0.03,  0.01)
177:     strbnd  (  0.712,   0.432,   0.989)  (  0.712,   0.432,   0.989)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.289,  -0.711,   0.374)  (  0.289,  -0.711,   0.374)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.169,   1.337,  -2.368)  (  4.169,   1.337,  -2.368)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       (  0.009,  -0.036,  -0.036)  (  0.011,  -0.034,  -0.035)  ( 0.00,  0.01,  0.00)
177:     bond    (  7.080, -17.260,   8.482)  (  7.081, -17.259,   8.482)  ( 0.02,  0.01,  0.00)
177:     angle   ( -5.148,   2.623,  -1.308)  ( -5.148,   2.624,  -1.307)  ( 0.00,  0.03,  0.05)
177:     strbnd  ( -0.387,   6.300,  -1.373)  ( -0.387,   6.299,  -1.373)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.837,   0.450,   0.871)  (  0.837,   0.450,   0.871)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.152,   6.289,  -6.678)  ( -2.152,   6.289,  -6.677)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.220,   1.563,  -0.030)  ( -0.220,   1.563,  -0.030)  ( 0.00,  0.00,  0.00)
177: 14       (  0.757,  -0.748,   0.385)  ( -3.436,  -5.579,  -1.228)  (317.23, 361.26, 62.00)
177:     bond    (  1.728,   7.650, -26.617)  (  1.731,   7.651, -26.606)  ( 0.18,  0.02,  0.04)
177:     angle   (-12.444,  -3.256,  -6.802)  (-12.443,  -3.255,  -6.800)  ( 0.01,  0.03,  0.03)
177:     strbnd  ( -0.283,  -8.072,  23.375)  ( -0.284,  -8.072,  23.374)  ( 0.01,  0.00,  0.01)
177:     torsion ( -1.040,  -7.523,   2.789)  ( -1.040,  -7.523,   2.789)  ( 0.01,  0.00,  0.00)
177:     oop     ( 13.584,  16.275,   6.445)  (  9.386,  11.441,   4.821)  (30.90, 29.70, 25.21)
177:     vdw     ( -7.544,  -1.421,   3.983)  ( -7.544,  -1.421,   3.983)  ( 0.00,  0.00,  0.00)
177:     electro (  6.757,  -4.401,  -2.789)  (  6.757,  -4.401,  -2.789)  ( 0.00,  0.00,  0.00)
177: 15       (  0.005,   0.033,  -0.033)  (  0.006,   0.036,  -0.032)  ( 0.00,  0.01,  0.00)
177:     bond    ( -0.124,  -3.231,  -0.971)  ( -0.124,  -3.228,  -0.971)  ( 0.00,  0.10,  0.03)
177:     angle   (  4.975,   0.074,  -0.882)  (  4.976,   0.074,  -0.882)  ( 0.01,  0.00,  0.04)
177:     strbnd  ( -1.156,   1.633,  -0.157)  ( -1.156,   1.633,  -0.157)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.003,  -0.118,   0.391)  ( -0.003,  -0.118,   0.391)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.688,   1.674,   1.586)  ( -3.688,   1.674,   1.586)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 16       ( -2.859,  -3.548,  -1.151)  ( -0.202,  -0.378,  -0.176)  (92.93, 89.34, 84.72)
177:     bond    ( -4.283,  -2.663,  20.496)  ( -4.282,  -2.663,  20.505)  ( 0.01,  0.00,  0.05)
177:     angle   ( -0.168,   2.881,   0.339)  ( -0.168,   2.882,   0.339)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  4.201,   1.886, -19.314)  (  4.201,   1.886, -19.314)  ( 0.00,  0.01,  0.00)
177:     torsion (  1.428,   2.859,   0.669)  (  1.428,   2.859,   0.669)  ( 0.00,  0.00,  0.00)
177:     oop     ( -7.000,  -8.683,  -2.589)  ( -4.344,  -5.513,  -1.623)  (37.94, 36.51, 37.31)
177:     vdw     ( -3.415,  -0.431,   2.105)  ( -3.415,  -0.431,   2.105)  ( 0.00,  0.00,  0.00)
177:     electro (  6.378,   0.602,  -2.858)  (  6.378,   0.602,  -2.858)  ( 0.00,  0.00,  0.00)
177: 17       (  0.002,   0.044,  -0.035)  (  0.007,   0.048,  -0.031)  ( 0.00,  0.02,  0.02)
177:     bond    ( -7.091,   2.130,  -1.977)  ( -7.088,   2.132,  -1.974)  ( 0.05,  0.14,  0.17)
177:     angle   (  4.462,   8.345,  -1.889)  (  4.464,   8.347,  -1.887)  ( 0.04,  0.02,  0.09)
177:     strbnd  (  3.433,  -7.634,   3.029)  (  3.432,  -7.635,   3.028)  ( 0.02,  0.01,  0.02)
177:     torsion ( -1.315,  -0.128,  -0.321)  ( -1.315,  -0.128,  -0.321)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.436,   1.064,  -0.784)  (  0.436,   1.064,  -0.784)  ( 0.00,  0.00,  0.00)
177:     electro (  0.078,  -3.732,   1.907)  (  0.078,  -3.732,   1.907)  ( 0.00,  0.00,  0.00)
177: 18       (  1.407,  -7.885,  -2.678)  (  1.645,  -7.234,  -2.828)  (16.96,  8.25,  5.60)
177:     bond    (  2.690,  -5.259,  -9.175)  (  2.694,  -5.255,  -9.171)  ( 0.14,  0.07,  0.05)
177:     angle   (  0.459,   8.749,   5.203)  (  0.461,   8.751,   5.206)  ( 0.09,  0.02,  0.04)
177:     strbnd  (  3.654,  -2.284,  -2.072)  (  3.653,  -2.285,  -2.073)  ( 0.03,  0.02,  0.02)
177:     torsion (  2.895,  -5.723,   2.052)  (  2.895,  -5.723,   2.052)  ( 0.00,  0.00,  0.00)
177:     oop     ( -1.124,  -3.995,   0.695)  ( -0.890,  -3.350,   0.539)  (20.81, 16.16, 10.85)
177:     vdw     (  0.057,  -1.642,   0.671)  (  0.057,  -1.642,   0.671)  ( 0.00,  0.00,  0.00)
177:     electro ( -7.224,   2.269,  -0.051)  ( -7.224,   2.269,  -0.051)  ( 0.00,  0.00,  0.00)
177: 19       (  0.014,  -0.054,   0.035)  (  0.020,  -0.048,   0.040)  ( 0.01,  0.03,  0.02)
177:     bond    ( -4.572,   7.582,   9.251)  ( -4.568,   7.586,   9.256)  ( 0.10,  0.06,  0.05)
177:     angle   (  4.311, -10.172,  -3.123)  (  4.312, -10.170,  -3.121)  ( 0.04,  0.02,  0.06)
177:     strbnd  ( -2.161,   2.017,   1.879)  ( -2.161,   2.016,   1.878)  ( 0.02,  0.03,  0.04)
177:     torsion ( -0.707,  -0.056,  -0.329)  ( -0.707,  -0.056,  -0.328)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.144,   0.575,  -7.644)  (  3.144,   0.575,  -7.644)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       (  0.055,   0.023,  -0.083)  (  0.061,   0.028,  -0.077)  ( 0.03,  0.01,  0.05)
177:     bond    ( -7.858,  -5.077,  -5.109)  ( -7.854,  -5.072,  -5.105)  ( 0.05,  0.09,  0.09)
177:     angle   (  6.358,   2.036,   6.266)  (  6.360,   2.038,   6.268)  ( 0.03,  0.09,  0.03)
177:     strbnd  ( -2.171,  -0.422,  -1.231)  ( -2.172,  -0.423,  -1.232)  ( 0.04,  0.02,  0.05)
177:     torsion (  0.971,  -0.883,  -0.568)  (  0.971,  -0.883,  -0.568)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.756,   4.369,   0.559)  (  2.756,   4.369,   0.559)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 21       ( -0.137,  -0.079,   0.370)  ( -1.098,  -0.257,   1.165)  (13.13,  1.41, 29.42)
177:     bond    ( -7.303,  18.452,  -4.755)  ( -7.301,  18.461,  -4.751)  ( 0.03,  0.05,  0.10)
177:     angle   ( 11.493, -17.158,   1.980)  ( 11.494, -17.156,   1.981)  ( 0.01,  0.01,  0.07)
177:     strbnd  ( -4.739,   3.053,  -5.420)  ( -4.739,   3.052,  -5.421)  ( 0.01,  0.04,  0.02)
177:     torsion ( -2.717,   0.003,   3.882)  ( -2.716,   0.003,   3.882)  ( 0.00,  0.00,  0.00)
177:     oop     (  5.247,   1.013,  -4.389)  (  4.282,   0.825,  -3.599)  (18.39, 18.57, 18.00)
177:     vdw     ( -2.898,  -4.553,   6.605)  ( -2.898,  -4.553,   6.605)  ( 0.00,  0.00,  0.00)
177:     electro (  0.780,  -0.889,   2.467)  (  0.780,  -0.889,   2.467)  ( 0.00,  0.00,  0.00)
177: 22       ( -0.007,  -0.027,   0.080)  ( -0.006,  -0.025,   0.082)  ( 0.00,  0.00,  0.02)
177:     bond    (  0.328,  -2.247,  -3.859)  (  0.328,  -2.246,  -3.857)  ( 0.00,  0.04,  0.06)
177:     angle   ( -0.121,   1.446,  -0.853)  ( -0.120,   1.446,  -0.853)  ( 0.01,  0.03,  0.01)
177:     strbnd  (  0.002,   0.481,   0.353)  (  0.002,   0.481,   0.353)  ( 0.00,  0.00,  0.00)
177:     torsion ( -2.347,  -0.316,  -0.016)  ( -2.347,  -0.316,  -0.016)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.131,   0.609,   4.454)  (  2.131,   0.609,   4.454)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       ( -0.191,  -0.011,   0.189)  (  0.002,   0.035,   0.026)  ( 3.69,  0.05,  3.08)
177:     bond    (  2.346,  -0.713,   2.597)  (  2.348,  -0.708,   2.600)  ( 0.09,  0.35,  0.10)
177:     angle   ( -9.647,   2.693,  -9.181)  ( -9.647,   2.694,  -9.181)  ( 0.00,  0.05,  0.00)
177:     strbnd  (  2.977,   2.363,   3.838)  (  2.977,   2.363,   3.837)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.013,   0.016,  -0.011)  (  0.013,   0.016,  -0.011)  ( 0.00,  0.00,  0.00)
177:     oop     ( -1.579,  -0.309,   1.374)  ( -1.388,  -0.270,   1.208)  (12.09,  1.23, 12.08)
177:     vdw     (  1.642,  -3.834,   1.605)  (  1.642,  -3.834,   1.605)  ( 0.00,  0.00,  0.00)
177:     electro (  4.057,  -0.227,  -0.032)  (  4.057,  -0.227,  -0.032)  ( 0.00,  0.00,  0.00)
177: 24       (  0.004,   0.003,  -0.053)  (  0.005,   0.004,  -0.052)  ( 0.00,  0.00,  0.01)
177:     bond    ( -1.196,   1.182,  -0.827)  ( -1.194,   1.183,  -0.827)  ( 0.12,  0.11,  0.05)
177:     angle   ( -1.332,  -1.852,  -0.728)  ( -1.331,  -1.852,  -0.727)  ( 0.02,  0.02,  0.03)
177:     strbnd  (  0.241,  -1.027,   0.189)  (  0.241,  -1.026,   0.189)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.038,   0.002,   0.057)  ( -0.038,   0.002,   0.057)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.329,   1.697,   1.256)  (  2.329,   1.697,   1.256)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       ( -0.012,  -0.040,  -0.043)  ( -0.010,  -0.039,  -0.041)  ( 0.00,  0.01,  0.01)
177:     bond    ( -1.200,  -1.265,   1.435)  ( -1.199,  -1.264,   1.436)  ( 0.08,  0.08,  0.10)
177:     angle   ( -2.311,  -0.524,  -2.391)  ( -2.311,  -0.524,  -2.391)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -0.046,   0.131,  -0.817)  ( -0.046,   0.131,  -0.817)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.070,  -0.086,  -0.017)  (  0.070,  -0.086,  -0.017)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.476,   1.704,   1.748)  (  3.476,   1.704,   1.748)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       (  0.017,   0.031,  -0.062)  (  0.018,   0.032,  -0.060)  ( 0.00,  0.00,  0.01)
177:     bond    (  0.799,  -1.340,  -1.580)  (  0.799,  -1.338,  -1.578)  ( 0.04,  0.09,  0.11)
177:     angle   ( -3.338,  -0.613,  -1.171)  ( -3.337,  -0.613,  -1.171)  ( 0.01,  0.02,  0.02)
177:     strbnd  ( -0.745,   0.134,   0.227)  ( -0.745,   0.134,   0.227)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.007,  -0.067,   0.060)  (  0.007,  -0.067,   0.060)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.293,   1.916,   2.401)  (  3.293,   1.916,   2.401)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 27       ( -0.029,  -0.013,  -0.016)  ( -0.027,  -0.011,  -0.015)  ( 0.01,  0.00,  0.00)
177:     bond    ( -1.391,   1.340,  -0.747)  ( -1.389,   1.342,  -0.747)  ( 0.11,  0.11,  0.03)
177:     angle   ( -1.015,   0.530,   2.839)  ( -1.015,   0.530,   2.840)  ( 0.02,  0.01,  0.02)
177:     strbnd  (  0.553,  -0.368,   1.021)  (  0.553,  -0.368,   1.021)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.250,  -0.232,   0.047)  ( -0.250,  -0.232,   0.047)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.074,  -1.282,  -3.176)  (  2.074,  -1.282,  -3.176)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 28       ( -0.034,  -0.055,  -0.010)  ( -0.032,  -0.053,  -0.008)  ( 0.01,  0.01,  0.00)
177:     bond    (  1.317,   0.998,   0.899)  (  1.318,   0.999,   0.900)  ( 0.13,  0.10,  0.07)
177:     angle   ( -2.910,   1.945,   2.102)  ( -2.910,   1.946,   2.102)  ( 0.01,  0.02,  0.02)
177:     strbnd  ( -0.799,   0.069,   0.229)  ( -0.799,   0.069,   0.229)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.012,   0.069,  -0.059)  ( -0.012,   0.069,  -0.059)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.371,  -3.136,  -3.182)  (  2.371,  -3.135,  -3.182)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 29       ( -0.014,  -0.055,  -0.036)  ( -0.012,  -0.054,  -0.034)  ( 0.00,  0.01,  0.01)
177:     bond    ( -1.198,  -1.403,   1.700)  ( -1.197,  -1.402,   1.701)  ( 0.06,  0.08,  0.09)
177:     angle   ( -1.824,   2.897,   1.105)  ( -1.823,   2.897,   1.105)  ( 0.02,  0.01,  0.02)
177:     strbnd  (  0.202,   1.021,  -0.133)  (  0.202,   1.021,  -0.133)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.274,  -0.031,   0.167)  (  0.274,  -0.031,   0.167)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.531,  -2.539,  -2.875)  (  2.532,  -2.539,  -2.875)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       ( -0.010,   0.057,   0.047)  ( -0.010,   0.062,   0.047)  ( 0.00,  0.03,  0.00)
177:     bond    ( -0.177,   0.738,  -0.096)  ( -0.177,   0.743,  -0.096)  ( 0.01,  0.36,  0.00)
177:     angle   (  8.417,   3.317,  10.163)  (  8.417,   3.317,  10.163)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  0.382,  -1.272,   0.256)  (  0.382,  -1.272,   0.256)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.882,   0.111,  -0.766)  (  0.882,   0.111,  -0.766)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.106,   0.075,   0.091)  (  0.106,   0.075,   0.091)  ( 0.00,  0.00,  0.00)
177:     electro ( -9.620,  -2.911,  -9.600)  ( -9.620,  -2.911,  -9.600)  ( 0.00,  0.00,  0.00)
177: 31       (  0.125,   0.139,   0.019)  (  0.600,   0.242,  -0.362)  ( 5.95,  1.43,  0.73)
177:     bond    ( -0.691,  -2.922,  -1.578)  ( -0.691,  -2.915,  -1.576)  ( 0.03,  0.24,  0.13)
177:     angle   (-11.279,   8.740, -11.218)  (-11.279,   8.740, -11.218)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( -0.400,   0.562,  -0.346)  ( -0.400,   0.562,  -0.346)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.247,   0.012,  -0.130)  (  0.247,   0.012,  -0.130)  ( 0.00,  0.00,  0.00)
177:     oop     ( -2.089,  -0.433,   1.715)  ( -1.615,  -0.338,   1.332)  (22.71,  4.11, 22.34)
177:     vdw     (  1.193,  -3.724,   0.966)  (  1.193,  -3.724,   0.966)  ( 0.00,  0.00,  0.00)
177:     electro ( 13.145,  -2.096,  10.610)  ( 13.145,  -2.096,  10.610)  ( 0.00,  0.00,  0.00)
177: ok 32 # gradients 
177: ok 33 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( -0.009,   0.002,  -0.005)  ( -0.001,   0.005,   0.001)  ( 0.01,  0.00,  0.00)
177:     bond    (  9.838,  -1.834,   0.007)  (  9.844,  -1.832,   0.011)  ( 0.07,  0.10,  0.00)
177:     angle   (  6.646,  -1.255,  -0.018)  (  6.648,  -1.254,  -0.017)  ( 0.03,  0.05,  0.00)
177:     strbnd  ( -3.095,   0.579,   0.001)  ( -3.095,   0.579,   0.001)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,   0.001,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (-12.705,   2.379,   0.009)  (-12.705,   2.379,   0.009)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.694,   0.130,   0.001)  ( -0.694,   0.130,   0.001)  ( 0.00,  0.00,  0.00)
177:  2       ( -0.094,  -0.071,  -0.108)  ( -0.084,  -0.054,  -0.110)  ( 0.09,  0.12,  0.02)
177:     bond    ( 15.243,  -7.110,  -6.312)  ( 15.248,  -7.108,  -6.308)  ( 0.04,  0.03,  0.07)
177:     angle   ( -4.881,  -0.262,  -1.754)  ( -4.879,  -0.261,  -1.753)  ( 0.04,  0.02,  0.09)
177:     strbnd  ( -1.609,   1.725,   2.154)  ( -1.609,   1.725,   2.154)  ( 0.01,  0.00,  0.01)
177:     torsion (  0.015,   0.078,  -0.054)  (  0.015,   0.079,  -0.054)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.015,  -0.078,   0.052)  ( -0.012,  -0.066,   0.044)  ( 0.00,  0.10,  0.04)
177:     vdw     ( -8.822,   6.095,   6.582)  ( -8.822,   6.095,   6.582)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.025,  -0.518,  -0.776)  ( -0.025,  -0.518,  -0.776)  ( 0.00,  0.00,  0.00)
177:  3       (  0.182,  -0.012,  -0.057)  (  0.183,  -0.039,  -0.032)  ( 0.02,  0.03,  0.15)
177:     bond    (  0.609,  -8.879, -13.408)  (  0.614,  -8.877, -13.405)  ( 0.30,  0.02,  0.03)
177:     angle   ( -7.772,   3.135,   2.969)  ( -7.770,   3.136,   2.970)  ( 0.02,  0.03,  0.05)
177:     strbnd  (  2.453,  -0.620,  -0.234)  (  2.453,  -0.620,  -0.235)  ( 0.01,  0.01,  0.01)
177:     torsion ( -0.243,   0.162,   0.098)  ( -0.243,   0.163,   0.098)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.034,   0.181,  -0.121)  (  0.028,   0.151,  -0.101)  ( 0.02,  0.55,  0.25)
177:     vdw     (  4.751,   6.373,  11.116)  (  4.751,   6.373,  11.116)  ( 0.00,  0.00,  0.00)
177:     electro (  0.350,  -0.364,  -0.476)  (  0.350,  -0.364,  -0.476)  ( 0.00,  0.00,  0.00)
177:  4       ( -0.195,   0.032,   0.015)  ( -0.188,   0.037,   0.020)  ( 0.13,  0.02,  0.01)
177:     bond    ( -7.919,   1.496,   0.029)  ( -7.915,   1.498,   0.032)  ( 0.06,  0.11,  0.01)
177:     angle   (  7.321,  -1.377,  -0.013)  (  7.323,  -1.376,  -0.012)  ( 0.03,  0.07,  0.00)
177:     strbnd  ( -7.154,   1.339,   0.000)  ( -7.155,   1.339,   0.000)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.002,  -0.005,   0.001)  ( -0.002,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.001,  -0.007,   0.004)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.561,  -1.415,  -0.006)  (  7.562,  -1.415,  -0.006)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       (  0.098,  -0.057,  -0.028)  (  0.109,  -0.026,  -0.041)  ( 0.11,  0.18,  0.04)
177:     bond    (  3.740,   8.034,  13.340)  (  3.745,   8.036,  13.343)  ( 0.13,  0.02,  0.03)
177:     angle   ( -8.410,  -0.116,  -2.962)  ( -8.408,  -0.115,  -2.960)  ( 0.02,  0.01,  0.05)
177:     strbnd  (  2.516,  -0.308,   0.233)  (  2.515,  -0.309,   0.233)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.284,  -0.056,  -0.104)  ( -0.284,  -0.055,  -0.103)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.031,  -0.165,   0.109)  ( -0.025,  -0.137,   0.091)  ( 0.02,  0.46,  0.20)
177:     vdw     (  2.108,  -7.659, -11.120)  (  2.108,  -7.659, -11.120)  ( 0.00,  0.00,  0.00)
177:     electro (  0.459,   0.213,   0.476)  (  0.459,   0.213,   0.476)  ( 0.00,  0.00,  0.00)
177:  6       ( -0.017,   0.039,   0.055)  ( -0.012,   0.031,   0.069)  ( 0.01,  0.03,  0.08)
177:     bond    ( 16.822,   1.066,   6.232)  ( 16.827,   1.068,   6.236)  ( 0.03,  0.19,  0.07)
177:     angle   ( -4.438,   2.007,   1.762)  ( -4.436,   2.007,   1.763)  ( 0.05,  0.03,  0.09)
177:     strbnd  ( -2.127,  -1.024,  -2.150)  ( -2.127,  -1.024,  -2.150)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.016,  -0.084,   0.056)  ( -0.016,  -0.083,   0.056)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.013,   0.071,  -0.048)  (  0.011,   0.060,  -0.040)  ( 0.00,  0.08,  0.04)
177:     vdw     (-10.436,  -2.488,  -6.572)  (-10.436,  -2.488,  -6.572)  ( 0.00,  0.00,  0.00)
177:     electro (  0.165,   0.492,   0.776)  (  0.165,   0.492,   0.776)  ( 0.00,  0.00,  0.00)
177:  7       (  0.083,   0.029,  -0.027)  (  0.090,   0.034,  -0.024)  ( 0.06,  0.02,  0.01)
177:     bond    ( -5.715,   1.120,  -0.030)  ( -5.710,   1.124,  -0.028)  ( 0.08,  0.35,  0.00)
177:     angle   ( -3.925,   0.733,   0.006)  ( -3.923,   0.734,   0.007)  ( 0.05,  0.10,  0.00)
177:     strbnd  ( 10.212,  -1.917,  -0.002)  ( 10.212,  -1.917,  -0.002)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.489,   0.094,  -0.002)  ( -0.488,   0.094,  -0.002)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  8       ( -0.096,   0.024,  -0.020)  ( -0.089,   0.030,  -0.017)  ( 0.07,  0.01,  0.01)
177:     bond    ( -3.483, -12.638,   7.907)  ( -3.478, -12.633,   7.908)  ( 0.16,  0.03,  0.02)
177:     angle   (  3.798,   0.832,  -0.921)  (  3.800,   0.834,  -0.921)  ( 0.04,  0.11,  0.04)
177:     strbnd  (  1.060,  -1.300,   0.656)  (  1.060,  -1.300,   0.656)  ( 0.02,  0.01,  0.00)
177:     torsion (  0.019,   0.099,   0.166)  (  0.019,   0.099,   0.167)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.505,  14.542,  -8.739)  ( -1.505,  14.542,  -8.739)  ( 0.01,  0.00,  0.00)
177:     electro (  0.016,  -1.510,   0.914)  (  0.016,  -1.510,   0.914)  ( 0.00,  0.00,  0.00)
177:  9       ( -0.010,  -0.087,   0.031)  ( -0.003,  -0.081,   0.034)  ( 0.01,  0.05,  0.01)
177:     bond    ( -2.492,  -7.482,   4.725)  ( -2.486,  -7.478,   4.727)  ( 0.23,  0.05,  0.03)
177:     angle   ( -4.105,  -3.933,   2.798)  ( -4.103,  -3.931,   2.798)  ( 0.04,  0.03,  0.02)
177:     strbnd  ( -4.222,   0.031,   0.453)  ( -4.222,   0.031,   0.453)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.000,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.835,  10.954,  -7.728)  ( 10.835,  10.954,  -7.728)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.025,   0.347,  -0.209)  ( -0.025,   0.347,  -0.209)  ( 0.00,  0.00,  0.00)
177: 10       ( -0.018,  -0.003,   0.005)  ( -0.014,   0.002,   0.008)  ( 0.01,  0.00,  0.00)
177:     bond    (-13.181,   2.472,   0.003)  (-13.178,   2.476,   0.004)  ( 0.02,  0.16,  0.00)
177:     angle   (  8.282,  -1.555,  -0.003)  (  8.284,  -1.555,  -0.003)  ( 0.02,  0.02,  0.00)
177:     strbnd  (  0.147,  -0.037,   0.005)  (  0.147,  -0.037,   0.006)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.264,  -1.546,  -0.006)  (  8.265,  -1.546,  -0.006)  ( 0.00,  0.00,  0.00)
177:     electro ( -3.532,   0.661,   0.003)  ( -3.532,   0.661,   0.003)  ( 0.00,  0.00,  0.00)
177: 11       ( -0.084,   0.070,  -0.048)  ( -0.077,   0.076,  -0.045)  ( 0.06,  0.04,  0.02)
177:     bond    (  0.276,   7.851,  -4.706)  (  0.282,   7.855,  -4.705)  ( 0.16,  0.05,  0.03)
177:     angle   ( -2.425,   5.161,  -2.800)  ( -2.424,   5.163,  -2.800)  ( 0.07,  0.03,  0.02)
177:     strbnd  ( -3.937,   1.510,  -0.456)  ( -3.938,   1.510,  -0.456)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.153, -14.132,   7.716)  (  6.153, -14.132,   7.716)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.149,  -0.315,   0.209)  ( -0.149,  -0.315,   0.209)  ( 0.00,  0.00,  0.00)
177: 12       (  0.047,  -0.083,   0.059)  (  0.054,  -0.077,   0.061)  ( 0.03,  0.04,  0.02)
177:     bond    (  1.440,  12.965,  -7.881)  (  1.446,  12.969,  -7.880)  ( 0.38,  0.03,  0.02)
177:     angle   (  3.262,  -2.172,   0.925)  (  3.264,  -2.171,   0.925)  ( 0.05,  0.06,  0.04)
177:     strbnd  (  1.447,   0.834,  -0.660)  (  1.447,   0.834,  -0.660)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.018,  -0.096,  -0.161)  ( -0.018,  -0.095,  -0.160)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.645, -13.018,   8.747)  ( -6.645, -13.018,   8.747)  ( 0.00,  0.00,  0.00)
177:     electro (  0.560,   1.403,  -0.914)  (  0.560,   1.402,  -0.914)  ( 0.00,  0.00,  0.00)
177: 13       (  0.014,   0.029,  -0.012)  (  0.016,   0.031,  -0.010)  ( 0.00,  0.01,  0.00)
177:     bond    (  0.532,   0.585,  -0.410)  (  0.533,   0.587,  -0.409)  ( 0.07,  0.10,  0.03)
177:     angle   ( -1.375,   0.959,  -0.417)  ( -1.375,   0.959,  -0.417)  ( 0.03,  0.02,  0.00)
177:     strbnd  ( -0.291,   0.302,  -0.147)  ( -0.291,   0.302,  -0.147)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.002,  -0.013,  -0.021)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.001,  -0.001)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.782,  -2.146,   1.210)  (  0.782,  -2.146,   1.210)  ( 0.00,  0.00,  0.00)
177:     electro (  0.369,   0.342,  -0.225)  (  0.369,   0.342,  -0.225)  ( 0.00,  0.00,  0.00)
177: 14       (  0.014,  -0.025,   0.027)  (  0.015,  -0.022,   0.028)  ( 0.00,  0.01,  0.00)
177:     bond    ( -0.713,   1.410,  -0.761)  ( -0.713,   1.412,  -0.760)  ( 0.04,  0.17,  0.05)
177:     angle   ( -1.054,  -0.355,   0.329)  ( -1.053,  -0.355,   0.329)  ( 0.06,  0.00,  0.00)
177:     strbnd  (  0.385,   0.200,  -0.162)  (  0.385,   0.200,  -0.162)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.001,   0.005,   0.009)  (  0.001,   0.006,   0.009)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.575,  -0.404,   0.175)  (  0.575,  -0.404,   0.175)  ( 0.00,  0.00,  0.00)
177:     electro (  0.821,  -0.881,   0.436)  (  0.821,  -0.881,   0.436)  ( 0.00,  0.00,  0.00)
177: 15       ( -0.046,  -0.018,   0.011)  ( -0.038,  -0.002,   0.010)  ( 0.03,  0.03,  0.00)
177:     bond    ( -7.125,  -4.896,  -9.263)  ( -7.121,  -4.892,  -9.259)  ( 0.06,  0.09,  0.05)
177:     angle   (  6.393,   2.270,   5.666)  (  6.394,   2.272,   5.667)  ( 0.03,  0.07,  0.03)
177:     strbnd  (  0.273,  -0.725,  -1.181)  (  0.272,  -0.726,  -1.182)  ( 0.02,  0.04,  0.08)
177:     torsion (  1.289,  -0.354,  -0.774)  (  1.289,  -0.353,  -0.774)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.010,  -0.056,   0.038)  ( -0.009,  -0.047,   0.031)  ( 0.00,  0.05,  0.02)
177:     vdw     ( -0.361,   3.610,   5.432)  ( -0.361,   3.610,   5.432)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.503,   0.134,   0.095)  ( -0.503,   0.134,   0.095)  ( 0.00,  0.00,  0.00)
177: 16       (  0.036,  -0.004,   0.009)  (  0.041,  -0.003,   0.010)  ( 0.02,  0.00,  0.00)
177:     bond    ( -1.105,   0.206,   0.001)  ( -1.100,   0.206,   0.001)  ( 0.41,  0.00,  0.00)
177:     angle   (  0.001,   0.005,   0.007)  (  0.001,   0.005,   0.007)  ( 0.00,  0.00,  0.00)
177:     strbnd  (  3.048,  -0.570,  -0.001)  (  3.048,  -0.570,  -0.001)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.498,   0.093,   0.000)  ( -0.498,   0.093,   0.001)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.410,   0.264,   0.001)  ( -1.410,   0.264,   0.001)  ( 0.00,  0.00,  0.00)
177: 17       ( -0.037,   0.047,   0.071)  ( -0.035,   0.047,   0.074)  ( 0.01,  0.00,  0.02)
177:     bond    ( -0.132,   0.174,   0.223)  ( -0.131,   0.175,   0.225)  ( 0.01,  0.03,  0.05)
177:     angle   (  1.479,   0.192,   0.711)  (  1.480,   0.192,   0.711)  ( 0.05,  0.00,  0.01)
177:     strbnd  (  1.315,  -1.062,  -1.217)  (  1.315,  -1.062,  -1.217)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.011,  -0.057,   0.038)  ( -0.011,  -0.057,   0.038)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,   0.006,  -0.004)  (  0.001,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.211,   0.450,  -0.614)  ( -4.210,   0.450,  -0.614)  ( 0.00,  0.00,  0.00)
177:     electro (  1.521,   0.344,   0.934)  (  1.521,   0.344,   0.934)  ( 0.00,  0.00,  0.00)
177: 18       ( -0.041,   0.022,   0.048)  ( -0.037,   0.019,   0.060)  ( 0.02,  0.01,  0.05)
177:     bond    ( -4.885,   7.159,   9.319)  ( -4.880,   7.163,   9.323)  ( 0.09,  0.06,  0.05)
177:     angle   (  5.152,  -4.463,  -5.651)  (  5.154,  -4.462,  -5.649)  ( 0.04,  0.03,  0.03)
177:     strbnd  (  0.516,   0.583,   1.171)  (  0.515,   0.582,   1.170)  ( 0.03,  0.04,  0.08)
177:     torsion (  1.334,  -0.130,   0.768)  (  1.334,  -0.130,   0.768)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.010,   0.051,  -0.034)  (  0.008,   0.042,  -0.028)  ( 0.00,  0.04,  0.02)
177:     vdw     ( -1.650,  -3.234,  -5.431)  ( -1.650,  -3.234,  -5.431)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.518,   0.057,  -0.094)  ( -0.518,   0.057,  -0.094)  ( 0.00,  0.00,  0.00)
177: 19       ( -0.026,  -0.013,  -0.044)  ( -0.024,  -0.011,  -0.042)  ( 0.01,  0.00,  0.01)
177:     bond    ( -0.161,  -0.100,  -0.195)  ( -0.159,  -0.099,  -0.193)  ( 0.03,  0.01,  0.05)
177:     angle   (  1.304,  -0.712,  -0.711)  (  1.305,  -0.712,  -0.711)  ( 0.04,  0.01,  0.01)
177:     strbnd  (  1.615,   0.513,   1.214)  (  1.615,   0.513,   1.214)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.011,   0.057,  -0.038)  (  0.011,   0.058,  -0.038)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.001,  -0.006,   0.004)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.086,   1.106,   0.619)  ( -4.086,   1.106,   0.619)  ( 0.00,  0.00,  0.00)
177:     electro (  1.292,  -0.870,  -0.936)  (  1.292,  -0.870,  -0.936)  ( 0.00,  0.00,  0.00)
177: 20       (  0.018,  -0.043,   0.008)  (  0.019,  -0.041,   0.009)  ( 0.00,  0.01,  0.00)
177:     bond    (  0.288,  -0.750,   0.412)  (  0.289,  -0.747,   0.413)  ( 0.01,  0.20,  0.03)
177:     angle   ( -1.609,  -0.393,   0.414)  ( -1.608,  -0.393,   0.414)  ( 0.04,  0.00,  0.00)
177:     strbnd  ( -0.388,  -0.178,   0.149)  ( -0.388,  -0.178,   0.149)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.002,   0.011,   0.019)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.503,   1.719,  -1.212)  (  1.503,   1.719,  -1.212)  ( 0.00,  0.00,  0.00)
177:     electro (  0.221,  -0.453,   0.225)  (  0.221,  -0.453,   0.225)  ( 0.00,  0.00,  0.00)
177: 21       (  0.039,   0.039,  -0.040)  (  0.041,   0.040,  -0.039)  ( 0.01,  0.01,  0.00)
177:     bond    ( -1.156,  -1.042,   0.748)  ( -1.154,  -1.041,   0.749)  ( 0.15,  0.13,  0.05)
177:     angle   ( -0.862,   0.717,  -0.330)  ( -0.861,   0.717,  -0.330)  ( 0.04,  0.02,  0.00)
177:     strbnd  (  0.292,  -0.327,   0.162)  (  0.292,  -0.327,   0.162)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.007)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.682,   0.169,  -0.176)  (  0.682,   0.169,  -0.176)  ( 0.00,  0.00,  0.00)
177:     electro (  1.083,   0.525,  -0.437)  (  1.083,   0.525,  -0.437)  ( 0.00,  0.00,  0.00)
177: 22       ( -0.002,  -0.011,   0.010)  ( -0.001,  -0.009,   0.011)  ( 0.00,  0.00,  0.00)
177:     bond    ( -0.526,   0.784,  -0.542)  ( -0.525,   0.786,  -0.541)  ( 0.04,  0.14,  0.05)
177:     angle   (  1.195,  -1.233,  -2.949)  (  1.195,  -1.233,  -2.949)  ( 0.03,  0.02,  0.01)
177:     strbnd  ( -0.255,  -0.588,  -0.393)  ( -0.255,  -0.588,  -0.393)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.565,  -0.064,   0.455)  ( -0.565,  -0.064,   0.455)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.149,   1.091,   3.440)  (  0.149,   1.091,   3.440)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       ( -0.002,  -0.011,   0.000)  ( -0.001,  -0.010,   0.001)  ( 0.00,  0.00,  0.00)
177:     bond    ( -0.710,  -0.703,   0.394)  ( -0.709,  -0.701,   0.395)  ( 0.11,  0.10,  0.02)
177:     angle   (  0.978,  -1.990,  -1.779)  (  0.979,  -1.990,  -1.778)  ( 0.03,  0.01,  0.03)
177:     strbnd  ( -0.228,  -0.099,  -0.703)  ( -0.228,  -0.099,  -0.703)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.442,   0.487,   0.072)  ( -0.442,   0.487,   0.072)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.399,   2.293,   2.016)  (  0.399,   2.293,   2.016)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       (  0.016,   0.004,  -0.000)  (  0.017,   0.005,   0.001)  ( 0.00,  0.00,  0.00)
177:     bond    (  0.712,  -0.619,  -0.845)  (  0.713,  -0.618,  -0.844)  ( 0.08,  0.05,  0.13)
177:     angle   ( -4.410,  -0.925,  -3.048)  ( -4.410,  -0.925,  -3.048)  ( 0.01,  0.03,  0.01)
177:     strbnd  ( -0.899,   0.082,  -0.052)  ( -0.899,   0.082,  -0.052)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.011,  -0.086,   0.054)  ( -0.011,  -0.086,   0.054)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.624,   1.552,   3.891)  (  4.624,   1.552,   3.891)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       (  0.015,   0.029,  -0.030)  (  0.017,   0.030,  -0.029)  ( 0.00,  0.00,  0.00)
177:     bond    ( -0.752,  -0.529,   0.528)  ( -0.750,  -0.529,   0.529)  ( 0.13,  0.05,  0.04)
177:     angle   (  1.555,   0.717,   2.924)  (  1.555,   0.718,   2.924)  ( 0.02,  0.03,  0.01)
177:     strbnd  ( -0.027,   0.641,   0.396)  ( -0.027,   0.641,   0.396)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.505,   0.263,  -0.453)  ( -0.505,   0.263,  -0.453)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.257,  -1.063,  -3.425)  ( -0.257,  -1.063,  -3.425)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       ( -0.016,  -0.001,  -0.020)  ( -0.014,  -0.000,  -0.018)  ( 0.00,  0.00,  0.00)
177:     bond    (  0.867,   0.313,   0.819)  (  0.869,   0.313,   0.821)  ( 0.15,  0.01,  0.12)
177:     angle   ( -3.775,   2.481,   3.047)  ( -3.775,   2.482,   3.047)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -0.869,   0.249,   0.057)  ( -0.869,   0.249,   0.057)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.019,   0.079,  -0.051)  (  0.019,   0.079,  -0.051)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.742,  -3.123,  -3.893)  (  3.742,  -3.123,  -3.893)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 27       (  0.012,  -0.017,   0.007)  (  0.013,  -0.015,   0.008)  ( 0.00,  0.00,  0.00)
177:     bond    ( -0.401,   0.886,  -0.386)  ( -0.401,   0.889,  -0.385)  ( 0.02,  0.22,  0.02)
177:     angle   (  1.642,   1.513,   1.782)  (  1.642,   1.513,   1.783)  ( 0.02,  0.01,  0.03)
177:     strbnd  ( -0.174,   0.171,   0.708)  ( -0.174,   0.170,   0.708)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.590,  -0.296,  -0.070)  ( -0.590,  -0.296,  -0.070)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.465,  -2.291,  -2.028)  ( -0.465,  -2.291,  -2.028)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 34 # gradients 
177: ok 35 # energy 
177: ----------------------------------------------------------------------------------------
177:                                                                                         
177:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
177:                                                                                         
177:                                                                                         
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( 40.017,  -0.918,  27.693)  ( 40.022,  -0.916,  27.698)  ( 0.01,  0.21,  0.02)
177:     bond    ( 17.093,   4.746,  20.403)  ( 17.097,   4.747,  20.407)  ( 0.02,  0.02,  0.02)
177:     angle   ( 10.823,  -6.670,  -7.661)  ( 10.824,  -6.668,  -7.659)  ( 0.02,  0.03,  0.02)
177:     strbnd  ( -1.302,  -1.496,  -3.384)  ( -1.303,  -1.496,  -3.384)  ( 0.04,  0.04,  0.02)
177:     torsion ( -0.752,  -0.481,  -0.404)  ( -0.752,  -0.481,  -0.404)  ( 0.01,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.697,   3.940,   6.118)  (  2.697,   3.940,   6.118)  ( 0.00,  0.00,  0.00)
177:     electro ( 11.458,  -0.958,  12.621)  ( 11.458,  -0.958,  12.621)  ( 0.00,  0.00,  0.00)
177:  2       (-31.059,   8.802,  24.651)  (-31.053,   8.807,  24.657)  ( 0.02,  0.06,  0.02)
177:     bond    (-27.113,  -0.560,   3.022)  (-27.109,  -0.556,   3.026)  ( 0.02,  0.22,  0.12)
177:     angle   (-10.986,   1.327,   1.389)  (-10.984,   1.329,   1.391)  ( 0.02,  0.14,  0.17)
177:     strbnd  (  6.026,   1.292,   2.785)  (  6.025,   1.291,   2.784)  ( 0.02,  0.04,  0.03)
177:     torsion (  0.387,   2.102,   1.063)  (  0.387,   2.103,   1.063)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.974,  -1.076,   6.259)  ( -5.974,  -1.076,   6.260)  ( 0.00,  0.00,  0.00)
177:     electro (  6.602,   5.716,  10.133)  (  6.602,   5.716,  10.133)  ( 0.00,  0.00,  0.00)
177:  3       (-13.765, -13.920,  11.801)  (-13.759, -13.915,  11.806)  ( 0.04,  0.04,  0.04)
177:     bond    ( -2.739,  -3.315,  12.969)  ( -2.735,  -3.311,  12.974)  ( 0.14,  0.12,  0.03)
177:     angle   (  0.437, -11.359,  -0.705)  (  0.439, -11.357,  -0.703)  ( 0.09,  0.02,  0.14)
177:     strbnd  (  1.387,   2.155,  -8.533)  (  1.387,   2.154,  -8.535)  ( 0.02,  0.03,  0.02)
177:     torsion ( -2.416,   1.078,   0.854)  ( -2.416,   1.078,   0.855)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.807,  -1.527,   6.510)  ( -6.807,  -1.527,   6.510)  ( 0.00,  0.00,  0.00)
177:     electro ( -3.627,  -0.951,   0.706)  ( -3.627,  -0.951,   0.706)  ( 0.00,  0.00,  0.00)
177:  4       (-10.095,   5.283, -11.576)  (-10.089,   5.286, -11.570)  ( 0.05,  0.05,  0.05)
177:     bond    (  0.949,  -2.282,   0.268)  (  0.953,  -2.280,   0.273)  ( 0.43,  0.06,  0.13)
177:     angle   (  0.591,  21.684,   6.844)  (  0.593,  21.686,   6.845)  ( 0.09,  0.01,  0.02)
177:     strbnd  (  1.406,  -5.851,  -0.013)  (  1.406,  -5.852,  -0.014)  ( 0.04,  0.01,  0.00)
177:     torsion (  0.184,  -1.989,  -0.339)  (  0.185,  -1.989,  -0.339)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.463,  -3.294,  -7.182)  ( -5.463,  -3.294,  -7.182)  ( 0.00,  0.00,  0.00)
177:     electro ( -7.762,  -2.986, -11.154)  ( -7.762,  -2.986, -11.154)  ( 0.00,  0.00,  0.00)
177:  5       ( 15.784,  -6.823, -14.411)  ( 15.790,  -6.817, -14.405)  ( 0.03,  0.08,  0.04)
177:     bond    ( 13.334,   0.629,  -1.309)  ( 13.339,   0.633,  -1.305)  ( 0.04,  0.25,  0.29)
177:     angle   (  2.816, -10.985,  -2.204)  (  2.818, -10.983,  -2.202)  ( 0.07,  0.02,  0.10)
177:     strbnd  ( -8.882,  -0.451,   0.327)  ( -8.883,  -0.452,   0.326)  ( 0.02,  0.02,  0.01)
177:     torsion (  0.798,   1.843,  -1.911)  (  0.798,   1.843,  -1.911)  ( 0.00,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.392,   1.990,  -5.711)  (  7.392,   1.990,  -5.711)  ( 0.00,  0.00,  0.00)
177:     electro (  0.327,   0.152,  -3.602)  (  0.327,   0.152,  -3.602)  ( 0.00,  0.00,  0.00)
177:  6       ( 23.240,  20.461, -25.217)  ( 23.246,  20.467, -25.212)  ( 0.03,  0.03,  0.02)
177:     bond    (  5.775,   7.666, -25.091)  (  5.778,   7.670, -25.086)  ( 0.07,  0.05,  0.02)
177:     angle   (  1.263,   4.370, -10.670)  (  1.265,   4.372, -10.668)  ( 0.18,  0.05,  0.02)
177:     strbnd  (  1.829,   0.313,   6.376)  (  1.828,   0.312,   6.375)  ( 0.03,  0.02,  0.02)
177:     torsion (  2.320,   0.305,   0.903)  (  2.321,   0.305,   0.903)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.013,   1.540,  -5.601)  (  7.013,   1.540,  -5.601)  ( 0.00,  0.00,  0.00)
177:     electro (  5.041,   6.267,   8.866)  (  5.041,   6.267,   8.865)  ( 0.00,  0.00,  0.00)
177:  7       ( -5.321,  -8.169,  -8.288)  ( -5.316,  -8.164,  -8.283)  ( 0.11,  0.07,  0.07)
177:     bond    ( -5.766,  -6.148,  -8.390)  ( -5.762,  -6.144,  -8.385)  ( 0.07,  0.07,  0.05)
177:     angle   ( -0.655,  -5.211,  -2.282)  ( -0.653,  -5.209,  -2.280)  ( 0.12,  0.03,  0.08)
177:     strbnd  (  5.025,   4.822,   7.145)  (  5.024,   4.821,   7.144)  ( 0.01,  0.02,  0.01)
177:     torsion (  0.524,  -0.894,   0.352)  (  0.524,  -0.894,   0.352)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.384,  -0.621,  -5.255)  ( -4.383,  -0.621,  -5.255)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.066,  -0.117,   0.141)  ( -0.066,  -0.117,   0.141)  ( 0.00,  0.00,  0.00)
177:  8       ( -6.827,  14.475,  22.925)  ( -6.821,  14.475,  22.975)  ( 0.08,  0.00,  0.22)
177:     bond    ( 11.385, -12.341, -10.198)  ( 11.388, -12.332, -10.191)  ( 0.03,  0.07,  0.07)
177:     angle   (-32.172,  28.633,  36.543)  (-32.169,  28.635,  36.546)  ( 0.01,  0.01,  0.01)
177:     strbnd  ( 23.556,  -6.610,  -5.451)  ( 23.555,  -6.611,  -5.452)  ( 0.00,  0.02,  0.02)
177:     torsion (  0.338,  -1.851,   0.344)  (  0.338,  -1.851,   0.344)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.005,   0.056,  -0.231)  ( -0.004,   0.046,  -0.190)  ( 0.00,  0.06,  0.96)
177:     vdw     (  1.478,   1.254,   4.534)  (  1.478,   1.254,   4.535)  ( 0.01,  0.00,  0.00)
177:     electro (-11.406,   5.334,  -2.617)  (-11.406,   5.334,  -2.617)  ( 0.00,  0.00,  0.00)
177:  9       (  5.719, -19.054, -11.028)  (  5.721, -19.052, -11.021)  ( 0.03,  0.01,  0.06)
177:     bond    (  1.485,   1.600,  -4.386)  (  1.486,   1.600,  -4.380)  ( 0.05,  0.05,  0.14)
177:     angle   (  5.763, -17.078,  -4.285)  (  5.764, -17.078,  -4.285)  ( 0.01,  0.00,  0.00)
177:     strbnd  ( -0.447,  -2.536,   3.420)  ( -0.447,  -2.536,   3.420)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.480,   0.079,   0.191)  (  0.480,   0.079,   0.191)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.856,   0.959,   2.952)  (  1.856,   0.959,   2.952)  ( 0.00,  0.00,  0.00)
177:     electro ( -3.417,  -2.078,  -8.920)  ( -3.417,  -2.078,  -8.920)  ( 0.00,  0.00,  0.00)
177: 10       ( 10.482,  -6.063, -18.767)  ( 10.483,  -6.056, -18.766)  ( 0.01,  0.12,  0.01)
177:     bond    (  0.309,  -3.128,   0.485)  (  0.309,  -3.121,   0.485)  ( 0.00,  0.24,  0.01)
177:     angle   ( 15.756,  -0.811, -15.260)  ( 15.757,  -0.811, -15.259)  ( 0.00,  0.00,  0.01)
177:     strbnd  (  0.664,   2.939,  -1.490)  (  0.664,   2.939,  -1.490)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.106,  -0.157,  -0.307)  ( -1.106,  -0.157,  -0.307)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.387,   3.365,   2.847)  ( -2.387,   3.365,   2.847)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.755,  -8.271,  -5.043)  ( -2.755,  -8.271,  -5.043)  ( 0.00,  0.00,  0.00)
177: 11       (-10.638,  -8.900,  -5.709)  (-10.635,  -8.866,  -5.820)  ( 0.03,  0.38,  1.94)
177:     bond    ( -6.709,   1.922,   1.059)  ( -6.705,   1.927,   1.060)  ( 0.06,  0.26,  0.04)
177:     angle   ( 24.355, -15.184, -15.338)  ( 24.357, -15.182, -15.338)  ( 0.01,  0.01,  0.00)
177:     strbnd  (-18.936,   1.986,   0.297)  (-18.936,   1.986,   0.297)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.305,  -0.296,   4.647)  (  0.305,  -0.296,   4.648)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.009,  -0.160,   0.679)  (  0.007,  -0.133,   0.566)  ( 0.00,  0.43,  7.65)
177:     vdw     ( -9.578,   2.904,   3.010)  ( -9.577,   2.904,   3.010)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.085,  -0.071,  -0.064)  ( -0.085,  -0.071,  -0.064)  ( 0.00,  0.00,  0.00)
177: 12       (-21.260,  -0.793,  -2.235)  (-21.252,  -0.800,  -2.173)  ( 0.04,  0.56,  2.79)
177:     bond    (  1.922,   0.917,   0.032)  (  1.927,   0.922,   0.032)  ( 0.28,  0.47,  0.00)
177:     angle   ( -9.984,   2.922,   1.064)  ( -9.983,   2.923,   1.065)  ( 0.02,  0.05,  0.01)
177:     strbnd  (-10.267,   7.335,   1.838)  (-10.267,   7.335,   1.838)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.034,   0.453,  -2.054)  ( -0.034,   0.453,  -2.053)  ( 0.00,  0.00,  0.06)
177:     oop     ( -0.004,   0.086,  -0.378)  ( -0.003,   0.072,  -0.317)  ( 0.00,  0.12,  2.29)
177:     vdw     ( -6.756, -10.594,  -1.657)  ( -6.755, -10.594,  -1.657)  ( 0.00,  0.00,  0.00)
177:     electro (  3.862,  -1.910,  -1.080)  (  3.862,  -1.910,  -1.080)  ( 0.00,  0.00,  0.00)
177: 13       ( 11.035, -18.539,  -9.258)  ( 11.043, -18.545,  -9.206)  ( 0.07,  0.03,  0.56)
177:     bond    (  3.557,   7.206,   1.481)  (  3.562,   7.211,   1.482)  ( 0.15,  0.07,  0.03)
177:     angle   (  3.498, -21.802,  -5.738)  (  3.500, -21.801,  -5.738)  ( 0.04,  0.01,  0.00)
177:     strbnd  ( 11.124,   5.598,   1.224)  ( 11.124,   5.598,   1.224)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.010,   0.214,  -0.783)  ( -0.010,   0.214,  -0.782)  ( 0.00,  0.00,  0.10)
177:     oop     ( -0.007,   0.075,  -0.292)  ( -0.006,   0.062,  -0.242)  ( 0.00,  0.09,  1.46)
177:     vdw     ( -8.946,  -9.231,  -4.972)  ( -8.946,  -9.231,  -4.972)  ( 0.00,  0.00,  0.00)
177:     electro (  1.819,  -0.598,  -0.177)  (  1.819,  -0.598,  -0.177)  ( 0.00,  0.00,  0.00)
177: 14       (-13.572,  -2.062,   4.766)  (-13.566,  -2.037,   4.696)  ( 0.04,  1.21,  1.46)
177:     bond    (-26.978,  13.126,   4.300)  (-26.972,  13.131,   4.300)  ( 0.02,  0.03,  0.01)
177:     angle   (-18.118,  -9.493,   4.254)  (-18.116,  -9.491,   4.254)  ( 0.01,  0.02,  0.00)
177:     strbnd  ( 29.827,  -3.579,  -1.396)  ( 29.826,  -3.579,  -1.395)  ( 0.00,  0.00,  0.01)
177:     torsion ( -0.134,  -1.037,   2.744)  ( -0.134,  -1.037,   2.746)  ( 0.00,  0.01,  0.04)
177:     oop     (  0.011,  -0.106,   0.410)  (  0.009,  -0.087,   0.339)  ( 0.00,  0.20,  2.94)
177:     vdw     (  1.699,  -1.418,  -5.301)  (  1.699,  -1.418,  -5.301)  ( 0.01,  0.01,  0.00)
177:     electro (  0.121,   0.445,  -0.246)  (  0.121,   0.445,  -0.246)  ( 0.00,  0.00,  0.00)
177: 15       ( 12.500, -13.787,  -4.766)  ( 12.462, -13.787,  -4.588)  ( 0.30,  0.01,  3.74)
177:     bond    ( -5.136, -10.558,  -3.032)  ( -5.131, -10.553,  -3.032)  ( 0.09,  0.04,  0.02)
177:     angle   (  2.758, -11.175,   3.017)  (  2.760, -11.174,   3.017)  ( 0.07,  0.02,  0.00)
177:     strbnd  (  9.858,  -2.806,  -1.156)  (  9.859,  -2.806,  -1.156)  ( 0.00,  0.00,  0.01)
177:     torsion ( -0.006,   0.855,  -3.398)  ( -0.006,   0.855,  -3.397)  ( 0.00,  0.01,  0.04)
177:     oop     (  0.274,   0.043,  -1.066)  (  0.229,   0.036,  -0.889)  ( 1.23,  0.03, 16.55)
177:     vdw     (  6.480,   9.337,   1.077)  (  6.480,   9.337,   1.077)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.729,   0.517,  -0.209)  ( -1.729,   0.517,  -0.209)  ( 0.00,  0.00,  0.00)
177: 16       (-16.865,  18.909,   6.325)  (-16.857,  18.931,   6.271)  ( 0.04,  0.12,  0.85)
177:     bond    (  8.237,  -4.438,  -0.410)  (  8.242,  -4.433,  -0.410)  ( 0.06,  0.11,  0.02)
177:     angle   (-15.113,  19.214,   5.231)  (-15.111,  19.215,   5.231)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -4.665,  -2.331,  -0.554)  ( -4.666,  -2.331,  -0.554)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.007,   0.399,  -1.363)  (  0.007,   0.399,  -1.362)  ( 0.00,  0.00,  0.09)
177:     oop     ( -0.002,  -0.093,   0.333)  ( -0.001,  -0.078,   0.278)  ( 0.00,  0.14,  1.84)
177:     vdw     ( -7.680,   8.051,   3.527)  ( -7.680,   8.051,   3.527)  ( 0.00,  0.00,  0.00)
177:     electro (  2.351,  -1.893,  -0.439)  (  2.351,  -1.893,  -0.439)  ( 0.00,  0.00,  0.00)
177: 17       ( -6.733,  21.609,   7.933)  ( -6.728,  21.608,   7.955)  ( 0.08,  0.00,  0.28)
177:     bond    (  2.115,   1.161,  -0.091)  (  2.119,   1.164,  -0.091)  ( 0.20,  0.31,  0.00)
177:     angle   ( 25.721,  28.686,   2.043)  ( 25.721,  28.687,   2.043)  ( 0.00,  0.00,  0.01)
177:     strbnd  (-34.795,  -0.918,   2.926)  (-34.795,  -0.918,   2.926)  ( 0.00,  0.00,  0.01)
177:     torsion (  0.088,  -0.609,   5.097)  (  0.088,  -0.609,   5.098)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.003,   0.029,  -0.113)  ( -0.002,   0.024,  -0.092)  ( 0.00,  0.02,  0.25)
179:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       ( -2.162, -14.129, -24.316)  ( -2.161, -14.129, -24.314)  ( 0.04,  0.01,  0.01)
179:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
179:     angle   (  1.840,  -0.299,  -0.578)  (  1.840,  -0.299,  -0.578)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -1.909,   0.172,   0.297)  ( -1.909,   0.172,   0.297)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.133,   0.077)  (  0.000,  -0.133,   0.077)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       ( 27.568,  -1.841,  -1.569)  ( 27.570,  -1.840,  -1.569)  ( 0.01,  0.04,  0.04)
179:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
179:     angle   ( -0.000,  -1.856,  -0.010)  (  0.000,  -1.856,  -0.009)  ( 0.00,  0.03,  0.00)
179:     strbnd  (  0.304,   1.915,  -0.000)  (  0.304,   1.915,  -0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.469)  (  0.000,   0.000,  -0.469)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (-11.584,  11.851,  21.981)  (-11.583,  11.852,  21.983)  ( 0.01,  0.01,  0.01)
179:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
179:     angle   ( -0.885,  -1.619,   0.574)  ( -0.885,  -1.619,   0.574)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.798,   1.743,  -0.296)  (  0.798,   1.743,  -0.296)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.382,   0.135,  -0.234)  ( -0.382,   0.135,  -0.234)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (-10.930,   9.420, -22.678)  (-10.929,   9.421, -22.676)  ( 0.01,  0.01,  0.01)
179:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
179:     angle   ( -0.882,  -1.631,  -0.581)  ( -0.882,  -1.630,  -0.581)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.799,   1.742,   0.299)  (  0.799,   1.742,   0.299)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,  -0.000,  -0.001)  (  0.001,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       ( 27.570,   2.262,   0.809)  ( 27.573,   2.263,   0.809)  ( 0.01,  0.03,  0.05)
179:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
179:     angle   (  0.001,   0.926,   1.618)  (  0.001,   0.926,   1.618)  ( 0.00,  0.04,  0.03)
179:     strbnd  (  0.305,  -0.958,  -1.660)  (  0.305,  -0.958,  -1.660)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.407,  -0.235)  ( -0.000,   0.407,  -0.235)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (-10.972,  14.917, -19.519)  (-10.971,  14.918, -19.517)  ( 0.01,  0.01,  0.01)
179:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
179:     angle   ( -0.889,   1.308,   1.118)  ( -0.889,   1.309,   1.119)  ( 0.03,  0.03,  0.02)
179:     strbnd  (  0.798,  -1.129,  -1.364)  (  0.798,  -1.129,  -1.364)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (-11.601, -24.965,   0.763)  (-11.600, -24.963,   0.763)  ( 0.01,  0.01,  0.05)
179:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
179:     angle   ( -0.888,   0.315,   1.704)  ( -0.887,   0.315,   1.705)  ( 0.03,  0.00,  0.03)
179:     strbnd  (  0.799,  -0.614,  -1.659)  (  0.799,  -0.614,  -1.659)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.381,   0.135,  -0.233)  ( -0.381,   0.135,  -0.233)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 10 # gradients 
179: ok 11 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (-94.849, 134.077, -232.261)  (-94.840, 134.085, -232.257)  ( 0.01,  0.01,  0.00)
179:     bond    (-98.615, 139.541, -241.698)  (-98.607, 139.548, -241.694)  ( 0.01,  0.01,  0.00)
179:     angle   (-17.077,  24.042, -41.606)  (-17.076,  24.043, -41.605)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 20.845, -29.505,  51.044)  ( 20.845, -29.506,  51.044)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.002,  -0.001,  -0.002)  ( -0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (267.229,   1.097,  -1.985)  (267.239,   1.101,  -1.981)  ( 0.00,  0.37,  0.20)
179:     bond    (324.092,   0.002,   0.003)  (324.102,   0.005,   0.006)  ( 0.00,  0.00,  0.00)
179:     angle   ( -7.067,  -9.049,  15.613)  ( -7.066,  -9.047,  15.614)  ( 0.02,  0.02,  0.01)
179:     strbnd  (-54.347,   8.796, -15.254)  (-54.349,   8.796, -15.255)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.001,  -0.000)  (  0.000,   0.001,  -0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (-92.994, -251.370,  -1.993)  (-92.989, -251.361,  -1.989)  ( 0.01,  0.00,  0.20)
179:     bond    (-108.221, -305.529,  -0.016)  (-108.218, -305.520,  -0.013)  ( 0.00,  0.00,  0.00)
179:     angle   ( 10.871,   3.619,  15.618)  ( 10.872,   3.621,  15.619)  ( 0.01,  0.04,  0.01)
179:     strbnd  (  9.840,  54.186, -15.254)  (  9.840,  54.184, -15.254)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,  -0.000,   0.003)  (  0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (-92.879, 127.455, 216.653)  (-92.874, 127.461, 216.661)  ( 0.01,  0.00,  0.00)
179:     bond    (-107.982, 152.791, 264.561)  (-107.978, 152.795, 264.568)  ( 0.00,  0.00,  0.00)
179:     angle   ( 10.825, -15.317,   4.617)  ( 10.827, -15.315,   4.619)  ( 0.01,  0.01,  0.03)
179:     strbnd  (  9.798, -13.878, -54.515)  (  9.798, -13.878, -54.516)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( 14.020,  33.684,  -0.046)  ( 14.021,  33.686,  -0.046)  ( 0.01,  0.01,  0.00)
179:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
179:     angle   (  2.316,   0.820,  -0.007)  (  2.316,   0.820,  -0.006)  ( 0.02,  0.00,  0.00)
179:     strbnd  ( 13.869,   5.072,   0.000)  ( 13.869,   5.072,   0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (  7.090, -16.075,  27.884)  (  7.091, -16.074,  27.886)  ( 0.01,  0.01,  0.01)
179:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
179:     angle   (  2.371,  -0.399,   0.737)  (  2.371,  -0.398,   0.737)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( 13.871,  -2.534,   4.389)  ( 13.871,  -2.534,   4.389)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       ( 14.159, -16.794, -29.238)  ( 14.160, -16.793, -29.236)  ( 0.01,  0.01,  0.01)
179:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
179:     angle   (  2.378,  -0.394,  -0.743)  (  2.378,  -0.394,  -0.742)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( 13.873,  -2.530,  -4.384)  ( 13.873,  -2.530,  -4.384)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.001,   0.000)  (  0.000,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       ( 27.412, -19.113,  -1.101)  ( 27.414, -19.112,  -1.100)  ( 0.01,  0.00,  0.05)
179:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
179:     angle   ( -0.000,  -2.447,  -0.010)  (  0.000,  -2.447,  -0.009)  ( 0.00,  0.02,  0.00)
179:     strbnd  (  0.148, -14.767,  -0.000)  (  0.148, -14.767,  -0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (-19.291,  -2.738,  27.067)  (-19.291,  -2.737,  27.069)  ( 0.00,  0.04,  0.01)
179:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
179:     angle   ( -1.157,  -2.100,   0.740)  ( -1.157,  -2.099,   0.740)  ( 0.03,  0.02,  0.01)
179:     strbnd  ( -7.020, -12.229,   4.389)  ( -7.020, -12.229,   4.389)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (-19.016,  -5.032, -27.526)  (-19.015,  -5.031, -27.524)  ( 0.00,  0.02,  0.01)
179:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
179:     angle   ( -1.152,  -2.108,  -0.747)  ( -1.152,  -2.107,  -0.746)  ( 0.03,  0.02,  0.01)
179:     strbnd  ( -7.016, -12.234,  -4.385)  ( -7.016, -12.234,  -4.385)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,  -0.000,  -0.000)  (  0.001,  -0.000,  -0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       ( 27.424,  10.493,  15.999)  ( 27.427,  10.494,  16.000)  ( 0.01,  0.01,  0.00)
179:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
179:     angle   (  0.001,   1.221,   2.128)  (  0.001,   1.221,   2.129)  ( 0.00,  0.03,  0.02)
179:     strbnd  (  0.159,   7.384,  12.785)  (  0.159,   7.384,  12.785)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (-19.052,  26.348,  -9.424)  (-19.051,  26.349,  -9.422)  ( 0.00,  0.00,  0.02)
179:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
179:     angle   ( -1.160,   1.692,   1.451)  ( -1.160,   1.692,   1.451)  ( 0.03,  0.02,  0.01)
179:     strbnd  ( -7.010,   9.918,   8.398)  ( -7.010,   9.918,   8.398)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (-19.294, -22.069,  15.940)  (-19.293, -22.066,  15.940)  ( 0.00,  0.01,  0.00)
179:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
179:     angle   ( -1.157,   0.410,   2.200)  ( -1.157,   0.410,   2.200)  ( 0.03,  0.00,  0.02)
179:     strbnd  ( -7.007,   2.322,  12.788)  ( -7.007,   2.322,  12.788)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.002,  -0.001,   0.001)  (  0.002,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 12 # gradients 
179: ok 13 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       ( -0.184,  -0.156,  -0.178)  ( -0.177,  -0.152,  -0.170)  ( 0.15,  0.07,  0.14)
179:     bond    ( 12.215,  -2.444,  -2.026)  ( 12.221,  -2.440,  -2.025)  ( 0.05,  0.20,  0.04)
179:     angle   (  1.031,   1.567,   0.419)  (  1.033,   1.568,   0.419)  ( 0.17,  0.09,  0.01)
179:     strbnd  ( -0.276,   0.595,   0.200)  ( -0.276,   0.595,   0.200)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.026,  -0.060,   0.134)  (  0.026,  -0.060,   0.135)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.003,   0.011,  -0.034)  ( -0.003,   0.009,  -0.028)  ( 0.00,  0.00,  0.02)
179:     vdw     (-13.301,   0.238,   1.219)  (-13.301,   0.238,   1.219)  ( 0.00,  0.00,  0.00)
179:     electro (  0.124,  -0.062,  -0.090)  (  0.124,  -0.062,  -0.090)  ( 0.00,  0.00,  0.00)
179:  2       (  0.845,  -0.251,   0.614)  (  0.850,  -0.233,   0.583)  ( 0.37,  0.45,  1.87)
179:     bond    (  8.668,  -9.202,  -3.657)  (  8.674,  -9.197,  -3.657)  ( 0.06,  0.06,  0.02)
179:     angle   (  1.060,  -2.236,  -0.846)  (  1.061,  -2.234,  -0.846)  ( 0.15,  0.07,  0.02)
179:     strbnd  ( -2.306,  -0.145,   0.209)  ( -2.306,  -0.145,   0.209)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.009,  -0.028,   0.128)  ( -0.009,  -0.028,   0.129)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.014,  -0.067,   0.198)  (  0.012,  -0.056,   0.166)  ( 0.00,  0.08,  0.65)
179:     vdw     ( -6.352,  11.522,   4.701)  ( -6.352,  11.522,   4.701)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.230,  -0.094,  -0.119)  ( -0.230,  -0.094,  -0.119)  ( 0.00,  0.00,  0.00)
179:  3       (  0.073,   0.716,   1.596)  (  0.084,   0.707,   1.644)  ( 0.08,  0.65,  3.02)
179:     bond    ( -6.462, -14.039,  -4.598)  ( -6.457, -14.034,  -4.597)  ( 0.08,  0.04,  0.02)
179:     angle   (  4.729,   7.796,   2.474)  (  4.731,   7.798,   2.474)  ( 0.04,  0.02,  0.01)
179:     strbnd  (  3.737,  -3.706,  -1.522)  (  3.737,  -3.707,  -1.522)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.300,  -2.114,   5.663)  (  0.300,  -2.114,   5.664)  ( 0.00,  0.01,  0.02)
179:     oop     ( -0.022,   0.095,  -0.277)  ( -0.019,   0.079,  -0.231)  ( 0.01,  0.15,  1.28)
179:     vdw     ( -2.173,  13.069,   0.311)  ( -2.172,  13.069,   0.311)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.037,  -0.384,  -0.455)  ( -0.037,  -0.384,  -0.455)  ( 0.00,  0.00,  0.00)
179:  4       ( -1.358,  -0.473,  -0.649)  ( -1.353,  -0.260,  -0.780)  ( 0.39, 10.03,  8.48)
179:     bond    ( -4.734,   2.347,   1.095)  ( -4.729,   2.352,   1.096)  ( 0.11,  0.20,  0.07)
179:     angle   (-10.062,  -2.611,   4.140)  (-10.060,  -2.609,   4.140)  ( 0.02,  0.07,  0.01)
179:     strbnd  (  3.811,   0.602,   0.274)  (  3.811,   0.601,   0.274)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.109,   2.386,  -1.969)  ( -0.109,   2.387,  -1.968)  ( 0.00,  0.01,  0.06)
179:     oop     (  0.013,  -1.116,   0.755)  (  0.011,  -0.910,   0.622)  ( 0.00, 18.44, 10.07)
179:     vdw     (  9.138,  -2.304,  -5.262)  (  9.139,  -2.304,  -5.262)  ( 0.00,  0.00,  0.00)
179:     electro (  0.584,   0.223,   0.317)  (  0.584,   0.223,   0.317)  ( 0.00,  0.00,  0.00)
179:  5       ( -0.945,  -0.437,  -0.547)  ( -0.950,  -0.380,  -0.686)  ( 0.41,  2.50,  7.61)
179:     bond    ( -9.877,  12.321,   6.024)  ( -9.872,  12.326,   6.025)  ( 0.05,  0.04,  0.01)
179:     angle   (  0.777,  -3.545,  -1.191)  (  0.779,  -3.544,  -1.191)  ( 0.13,  0.04,  0.02)
179:     strbnd  (  3.218,   2.140,   0.609)  (  3.218,   2.140,   0.609)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.010,   0.739,  -2.169)  (  0.010,   0.739,  -2.168)  ( 0.00,  0.01,  0.06)
179:     oop     (  0.069,  -0.304,   0.854)  (  0.058,  -0.253,   0.713)  ( 0.08,  1.53, 12.07)
179:     vdw     (  4.433, -11.904,  -4.594)  (  4.433, -11.904,  -4.594)  ( 0.00,  0.00,  0.00)
179:     electro (  0.425,   0.115,  -0.080)  (  0.425,   0.115,  -0.080)  ( 0.00,  0.00,  0.00)
179:  6       (  0.533,   0.106,  -0.757)  (  0.541,   0.107,  -0.740)  ( 0.44,  0.00,  1.34)
179:     bond    ( 10.935,  11.123,   2.675)  ( 10.940,  11.128,   2.676)  ( 0.05,  0.04,  0.03)
179:     angle   ( -1.841,   0.246,   0.285)  ( -1.839,   0.247,   0.285)  ( 0.09,  0.04,  0.01)
179:     strbnd  ( -0.658,   0.437,   0.063)  ( -0.658,   0.437,   0.063)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.004,   0.151,  -0.129)  ( -0.004,   0.151,  -0.128)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.010,   0.040,  -0.102)  ( -0.008,   0.034,  -0.087)  ( 0.00,  0.03,  0.16)
179:     vdw     ( -7.809, -11.860,  -3.494)  ( -7.809, -11.860,  -3.494)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.081,  -0.031,  -0.054)  ( -0.081,  -0.031,  -0.054)  ( 0.00,  0.00,  0.00)
179:  7       (  4.182,  -0.110,  -2.955)  (  4.161,  -0.952,  -2.296)  ( 0.49,  9.24, 22.30)
179:     bond    ( -8.014,   7.203,  10.301)  ( -8.008,   7.206,  10.304)  ( 0.07,  0.04,  0.04)
179:     angle   ( 23.571,  -6.002, -12.520)  ( 23.573,  -6.000, -12.519)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -5.963,   1.001,   0.741)  ( -5.964,   1.001,   0.741)  ( 0.01,  0.02,  0.02)
179:     torsion ( -2.504, -12.743,   5.344)  ( -2.504, -12.742,   5.344)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.288,   5.178,  -4.155)  (  0.261,   4.331,  -3.501)  ( 0.80, 16.35, 15.74)
179:     vdw     ( -1.708,   5.497,  -2.750)  ( -1.708,   5.497,  -2.750)  ( 0.01,  0.00,  0.00)
179:     electro ( -1.488,  -0.244,   0.085)  ( -1.488,  -0.244,   0.085)  ( 0.00,  0.00,  0.00)
179:  8       ( -1.923,   7.274,   9.287)  ( -1.901,   8.167,   8.906)  ( 1.12, 12.27,  4.10)
179:     bond    (  7.906,   3.155,   6.283)  (  7.911,   3.158,   6.291)  ( 0.07,  0.08,  0.13)
179:     angle   (-11.927,  11.968,  23.696)  (-11.925,  11.969,  23.697)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -0.172,  -3.227,  -7.634)  ( -0.173,  -3.227,  -7.635)  ( 0.02,  0.01,  0.01)
179:     torsion ( -1.724,   6.797, -17.832)  ( -1.724,   6.797, -17.832)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.107,  -5.155,   2.589)  ( -0.093,  -4.267,   2.199)  ( 0.16, 17.23, 15.06)
179:     vdw     (  4.239,  -5.387,   2.000)  (  4.239,  -5.387,   2.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.137,  -0.875,   0.186)  ( -0.137,  -0.875,   0.186)  ( 0.00,  0.00,  0.00)
179:  9       (  6.140,  -3.439,  -4.350)  (  6.157,  -3.721,  -4.188)  ( 0.27,  8.20,  3.73)
179:     bond    (  6.677,  -9.432, -17.814)  (  6.678,  -9.430, -17.808)  ( 0.01,  0.02,  0.03)
179:     angle   ( -3.223,  -0.345,  -1.026)  ( -3.222,  -0.345,  -1.026)  ( 0.03,  0.00,  0.01)
179:     strbnd  ( -3.032,   4.056,   7.810)  ( -3.032,   4.056,   7.810)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.306,   6.009,  -3.297)  ( -0.306,   6.009,  -3.297)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.071,   1.455,  -0.797)  ( -0.056,   1.171,  -0.641)  ( 0.11, 19.52, 12.44)
179:     vdw     (  7.280,  -5.048,  11.866)  (  7.280,  -5.048,  11.866)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.185,  -0.133,  -1.092)  ( -1.185,  -0.133,  -1.092)  ( 0.00,  0.00,  0.00)
179: 10       (  1.503,  -0.193,   0.092)  (  1.469,  -0.420,  -0.248)  ( 2.28,  4.37,  3.13)
179:     bond    (  9.695,  23.920,  -3.884)  (  9.701,  23.924,  -3.884)  ( 0.06,  0.02,  0.01)
179:     angle   (-15.143, -13.685, -10.389)  (-15.141, -13.683, -10.388)  ( 0.01,  0.01,  0.01)
179:     strbnd  (  1.542, -11.914,   0.169)  (  1.542, -11.915,   0.169)  ( 0.03,  0.01,  0.00)
179:     torsion (  1.960,  -0.605,  10.880)  (  1.960,  -0.605,  10.881)  ( 0.00,  0.01,  0.01)
179:     oop     (  0.202,   1.528,   1.715)  (  0.161,   1.295,   1.373)  ( 0.83, 15.24, 19.96)
179:     vdw     (  3.415,   0.682,   1.760)  (  3.415,   0.682,   1.760)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.168,  -0.118,  -0.159)  ( -0.168,  -0.118,  -0.159)  ( 0.00,  0.00,  0.00)
179: 11       ( -3.382,   0.002,   1.664)  ( -3.375,   0.163,   2.211)  ( 0.21,  0.04, 32.88)
179:     bond    (-13.094,  -5.115,  -0.788)  (-13.089,  -5.111,  -0.787)  ( 0.04,  0.09,  0.05)
179:     angle   ( -2.503,   4.242,  11.159)  ( -2.501,   4.244,  11.160)  ( 0.09,  0.05,  0.00)
179:     strbnd  ( 10.155,   7.918,  -0.812)  ( 10.154,   7.917,  -0.812)  ( 0.01,  0.01,  0.01)
179:     torsion (  1.046,  -1.903,  -2.449)  (  1.046,  -1.903,  -2.448)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.039,  -0.779,  -2.945)  ( -0.038,  -0.624,  -2.400)  ( 0.00, 12.08, 18.52)
179:     vdw     ( -0.018,  -4.278,  -1.767)  ( -0.018,  -4.278,  -1.767)  ( 0.00,  0.00,  0.00)
179:     electro (  1.070,  -0.081,  -0.735)  (  1.070,  -0.081,  -0.735)  ( 0.00,  0.00,  0.00)
179: 12       ( -0.151,  -0.223,  -0.298)  ( -0.144,  -0.255,  -0.423)  ( 0.09,  0.71,  3.72)
179:     bond    ( -6.964,  10.847,  -2.041)  ( -6.957,  10.853,  -2.041)  ( 0.09,  0.05,  0.02)
179:     angle   (  3.466, -18.735,   1.444)  (  3.468, -18.732,   1.444)  ( 0.06,  0.01,  0.03)
179:     strbnd  (  5.241,  10.045,  -1.635)  (  5.240,  10.043,  -1.635)  ( 0.02,  0.01,  0.00)
179:     torsion ( -0.277,  -0.199,   0.243)  ( -0.277,  -0.199,   0.244)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.002,   0.243,   0.879)  ( -0.003,   0.205,   0.753)  ( 0.00,  0.94, 11.08)
179:     vdw     ( -1.680,  -2.461,   0.754)  ( -1.680,  -2.461,   0.754)  ( 0.00,  0.00,  0.00)
179:     electro (  0.066,   0.037,   0.059)  (  0.066,   0.037,   0.059)  ( 0.00,  0.00,  0.00)
179: 13       ( -0.934,   4.770,   0.246)  ( -0.930,   4.786,   0.303)  ( 0.38,  0.34,  1.41)
179:     bond    ( -0.615,   7.046,  -1.142)  ( -0.607,   7.052,  -1.141)  ( 0.46,  0.08,  0.02)
179:     angle   (  9.671,  -9.830,   1.897)  (  9.673,  -9.828,   1.897)  ( 0.02,  0.02,  0.00)
179:     strbnd  (  1.450,  -2.787,   0.428)  (  1.450,  -2.788,   0.428)  ( 0.05,  0.05,  0.00)
179:     torsion ( -0.027,   0.521,  -1.869)  ( -0.027,   0.521,  -1.868)  ( 0.00,  0.00,  0.05)
179:     oop     (  0.024,  -0.050,  -0.214)  (  0.019,  -0.041,  -0.158)  ( 0.01,  0.05,  1.20)
179:     vdw     (-11.109,   9.890,   1.556)  (-11.109,   9.890,   1.556)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.327,  -0.020,  -0.411)  ( -0.327,  -0.020,  -0.411)  ( 0.00,  0.00,  0.00)
179: 14       (  6.423,  -5.117,   0.699)  (  6.432,  -5.100,   0.728)  ( 0.14,  0.33,  2.05)
179:     bond    (-12.462, -21.961,   0.624)  (-12.457, -21.955,   0.624)  ( 0.04,  0.02,  0.01)
179:     angle   ( 21.478,  16.756,  -1.059)  ( 21.481,  16.758,  -1.059)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -5.263,  -1.582,  -0.270)  ( -5.263,  -1.582,  -0.270)  ( 0.01,  0.03,  0.00)
179:     torsion ( -0.035,  -0.626,   1.222)  ( -0.035,  -0.626,   1.223)  ( 0.00,  0.00,  0.11)
179:     oop     (  0.004,  -0.049,  -0.081)  (  0.005,  -0.039,  -0.053)  ( 0.00,  0.05,  0.23)
179:     vdw     (  2.604,   2.443,   0.387)  (  2.604,   2.443,   0.387)  ( 0.00,  0.00,  0.00)
179:     electro (  0.097,  -0.098,  -0.124)  (  0.097,  -0.098,  -0.124)  ( 0.00,  0.00,  0.00)
179: 15       ( -5.131,   0.618,  -0.838)  ( -5.081,   0.621,  -0.540)  ( 0.97,  0.16, 24.88)
179:     bond    ( 11.061,   5.919,  -3.067)  ( 11.066,   5.923,  -3.067)  ( 0.04,  0.08,  0.01)
179:     angle   (-12.299, -15.141,  -0.481)  (-12.297, -15.140,  -0.481)  ( 0.02,  0.01,  0.00)
179:     strbnd  ( -3.290,   0.620,   0.718)  ( -3.290,   0.620,   0.718)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.712,  -0.073,   3.004)  ( -0.712,  -0.073,   3.005)  ( 0.00,  0.00,  0.05)
179:     oop     ( -0.261,   0.034,  -1.913)  ( -0.218,   0.030,  -1.617)  ( 1.11,  0.01, 15.44)
179:     vdw     (  0.370,   9.262,   0.830)  (  0.370,   9.262,   0.830)  ( 0.00,  0.00,  0.00)
179:     electro (  0.001,  -0.002,   0.071)  (  0.001,  -0.002,   0.071)  ( 0.00,  0.00,  0.00)
179: 16       ( -0.060,   0.192,   1.754)  ( -0.067,   0.202,   1.620)  ( 0.04,  0.20,  7.61)
179:     bond    ( 14.452, -16.403,  -3.890)  ( 14.458, -16.398,  -3.890)  ( 0.04,  0.03,  0.01)
179:     angle   (-10.953,   5.321,   1.176)  (-10.951,   5.322,   1.176)  ( 0.02,  0.03,  0.00)
179:     strbnd  (  6.693,   8.480,  -0.639)  (  6.693,   8.479,  -0.639)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.233,  -0.130,   1.677)  (  0.233,  -0.130,   1.679)  ( 0.00,  0.00,  0.08)
179:     oop     (  0.089,  -0.027,   0.816)  (  0.074,  -0.024,   0.681)  ( 0.13,  0.01, 11.01)
179:     vdw     (-10.495,   2.954,   2.887)  (-10.495,   2.954,   2.887)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.079,  -0.002,  -0.273)  ( -0.079,  -0.002,  -0.273)  ( 0.00,  0.00,  0.00)
179: 17       ( -0.394,   0.572,   1.427)  ( -0.386,   0.578,   1.432)  ( 0.31,  0.35,  0.35)
179:     bond    ( 11.943,  13.623,   0.244)  ( 11.949,  13.628,   0.244)  ( 0.05,  0.04,  0.01)
179:     angle   (  1.276,  -3.469,  -0.726)  (  1.277,  -3.467,  -0.726)  ( 0.13,  0.05,  0.00)
179:     strbnd  (  0.726,  -3.329,  -0.300)  (  0.726,  -3.330,  -0.300)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.227,  -0.156,   1.421)  (  0.227,  -0.156,   1.422)  ( 0.00,  0.00,  0.09)
179:     oop     ( -0.004,   0.002,  -0.021)  ( -0.003,   0.002,  -0.018)  ( 0.00,  0.00,  0.01)
179:     vdw     (-14.498,  -6.002,   0.935)  (-14.498,  -6.002,   0.935)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.064,  -0.097,  -0.125)  ( -0.064,  -0.097,  -0.125)  ( 0.00,  0.00,  0.00)
179: 18       ( -0.671,  -0.480,   0.669)  ( -0.666,  -0.470,   0.643)  ( 0.29,  0.48,  1.73)
179:     bond    ( -3.720,  10.016,   1.464)  ( -3.714,  10.021,   1.464)  ( 0.15,  0.06,  0.01)
179:     angle   (  3.372,   1.996,  -0.096)  (  3.374,   1.998,  -0.096)  ( 0.05,  0.09,  0.00)
179:     strbnd  (  1.201,  -0.848,  -0.145)  (  1.201,  -0.848,  -0.145)  ( 0.02,  0.01,  0.00)
179:     torsion (  0.005,  -0.001,   0.213)  (  0.005,  -0.001,   0.214)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.015,  -0.016,   0.164)  (  0.013,  -0.013,   0.137)  ( 0.00,  0.00,  0.45)
179:     vdw     ( -1.486, -11.784,  -0.891)  ( -1.486, -11.784,  -0.891)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.059,   0.157,  -0.040)  ( -0.059,   0.157,  -0.040)  ( 0.00,  0.00,  0.00)
179: 19       ( -0.361,   0.252,  -0.085)  ( -0.352,   0.256,  -0.053)  ( 0.36,  0.11,  0.27)
179:     bond    ( -3.439,  12.608,   1.190)  ( -3.434,  12.614,   1.190)  ( 0.17,  0.04,  0.02)
179:     angle   ( -7.033,   2.531,   1.010)  ( -7.031,   2.533,   1.010)  ( 0.02,  0.06,  0.01)
179:     strbnd  ( -0.939,  -6.205,  -0.494)  ( -0.939,  -6.206,  -0.494)  ( 0.02,  0.00,  0.00)
179:     torsion (  0.083,  -0.036,   0.405)  (  0.083,  -0.036,   0.406)  ( 0.00,  0.00,  0.05)
179:     oop     ( -0.015,   0.016,  -0.180)  ( -0.012,   0.013,  -0.149)  ( 0.00,  0.00,  0.55)
179:     vdw     ( 11.128,  -8.501,  -1.965)  ( 11.128,  -8.501,  -1.965)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.147,  -0.161,  -0.052)  ( -0.147,  -0.161,  -0.052)  ( 0.00,  0.00,  0.00)
179: 20       (  0.033,   0.210,  -0.198)  (  0.028,   0.218,  -0.269)  ( 0.01,  0.15,  1.41)
179:     bond    (-23.028,   1.536,   2.475)  (-23.023,   1.541,   2.475)  ( 0.02,  0.33,  0.01)
179:     angle   ( 15.846,  -1.882,  -2.254)  ( 15.848,  -1.881,  -2.254)  ( 0.01,  0.09,  0.00)
179:     strbnd  ( -4.096,   7.781,   0.817)  ( -4.097,   7.781,   0.817)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.129,   0.136,   0.405)  (  0.129,   0.136,   0.407)  ( 0.00,  0.00,  0.05)
179:     oop     (  0.078,  -0.007,   0.518)  (  0.066,  -0.007,   0.445)  ( 0.09,  0.00,  3.76)
179:     vdw     ( 11.264,  -7.207,  -2.094)  ( 11.264,  -7.207,  -2.094)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.159,  -0.145,  -0.065)  ( -0.159,  -0.145,  -0.065)  ( 0.00,  0.00,  0.00)
179: 21       (  0.580,  -0.053,  -0.235)  (  0.591,  -0.122,  -0.471)  ( 0.61,  0.37,  5.54)
179:     bond    (  7.503, -21.569,  13.282)  (  7.507, -21.565,  13.286)  ( 0.05,  0.02,  0.03)
179:     angle   ( -8.074,  14.944, -23.421)  ( -8.072,  14.947, -23.419)  ( 0.03,  0.01,  0.01)
179:     strbnd  (  2.250,   2.780,   1.796)  (  2.249,   2.779,   1.795)  ( 0.04,  0.04,  0.03)
179:     torsion ( -0.293,   1.133,   8.011)  ( -0.293,   1.133,   8.011)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.019,   0.274,   0.893)  ( -0.014,   0.200,   0.651)  ( 0.01,  2.04, 21.55)
179:     vdw     ( -0.617,   2.348,  -0.996)  ( -0.617,   2.348,  -0.996)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.170,   0.037,   0.202)  ( -0.170,   0.037,   0.202)  ( 0.00,  0.00,  0.00)
179: 22       (  0.335,  -0.174,   0.517)  (  0.341,  -0.168,   0.522)  ( 0.18,  0.10,  0.29)
179:     bond    ( 10.845,  -2.778,  -8.094)  ( 10.850,  -2.774,  -8.090)  ( 0.04,  0.15,  0.05)
179:     angle   ( -9.008,  -1.801,   6.507)  ( -9.006,  -1.799,   6.508)  ( 0.02,  0.10,  0.03)
179:     strbnd  (  0.507,  -2.141,   2.316)  (  0.507,  -2.141,   2.315)  ( 0.04,  0.02,  0.03)
179:     torsion (  0.379,   2.149,  -1.075)  (  0.379,   2.149,  -1.075)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.389,   4.398,   0.864)  ( -2.389,   4.398,   0.864)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( -0.056,  -0.173,  -0.298)  ( -0.051,  -0.167,  -0.292)  ( 0.03,  0.09,  0.18)
179:     bond    ( -9.863,  -5.250,   2.250)  ( -9.858,  -5.246,   2.255)  ( 0.04,  0.08,  0.21)
179:     angle   ( 12.507,   0.572,   0.600)  ( 12.509,   0.573,   0.602)  ( 0.02,  0.10,  0.10)
179:     strbnd  (  0.608,  -3.802,   1.723)  (  0.607,  -3.803,   1.722)  ( 0.05,  0.02,  0.03)
179:     torsion ( -1.338,   1.223,  -0.733)  ( -1.338,   1.223,  -0.733)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.970,   7.085,  -4.139)  ( -1.970,   7.085,  -4.139)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       ( -2.968,  -0.603,  -1.089)  ( -2.963,  -0.598,  -1.087)  ( 0.17,  0.31,  0.24)
179:     bond    ( -0.866, -18.509,   3.882)  ( -0.862, -18.505,   3.887)  ( 0.40,  0.02,  0.12)
179:     angle   (  5.959,  26.024,  -8.109)  (  5.962,  26.026,  -8.108)  ( 0.04,  0.01,  0.02)
179:     strbnd  (-10.525,  -2.634,   0.562)  (-10.527,  -2.635,   0.562)  ( 0.02,  0.03,  0.02)
179:     torsion ( -0.876,  -1.089,   1.253)  ( -0.876,  -1.089,   1.253)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.001,   0.002,   0.014)  ( -0.000,   0.002,   0.010)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.349,  -4.597,   0.926)  (  2.349,  -4.597,   0.926)  ( 0.01,  0.00,  0.00)
179:     electro (  0.991,   0.199,   0.382)  (  0.991,   0.199,   0.382)  ( 0.00,  0.00,  0.00)
179: 25       ( -0.014,  -0.101,  -0.165)  ( -0.009,  -0.095,  -0.159)  ( 0.01,  0.06,  0.10)
179:     bond    ( -3.870,  12.275,  -0.924)  ( -3.866,  12.279,  -0.920)  ( 0.10,  0.03,  0.41)
179:     angle   ( -5.572, -18.333,   5.423)  ( -5.570, -18.330,   5.425)  ( 0.04,  0.01,  0.03)
179:     strbnd  ( -1.114,  -2.631,  -0.165)  ( -1.115,  -2.631,  -0.166)  ( 0.10,  0.02,  0.00)
179:     torsion (  3.318,  -0.490,  -3.647)  (  3.318,  -0.490,  -3.647)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.225,   9.078,  -0.852)  (  7.225,   9.078,  -0.852)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       ( -2.572,   0.175,  -0.401)  ( -2.567,   0.181,  -0.395)  ( 0.18,  0.10,  0.23)
179:     bond    (  4.426, -15.861,  -0.954)  (  4.429, -15.857,  -0.949)  ( 0.08,  0.03,  0.45)
179:     angle   ( -8.266,  12.873,  -7.689)  ( -8.264,  12.875,  -7.687)  ( 0.02,  0.02,  0.03)
179:     strbnd  (  1.193,   5.294,   4.137)  (  1.192,   5.293,   4.136)  ( 0.07,  0.01,  0.03)
179:     torsion ( -0.164,  -0.701,   3.652)  ( -0.164,  -0.701,   3.652)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.542,  -1.377,   0.272)  ( -0.542,  -1.377,   0.272)  ( 0.01,  0.00,  0.00)
179:     electro (  0.781,  -0.052,   0.181)  (  0.781,  -0.052,   0.181)  ( 0.00,  0.00,  0.00)
179: 27       ( -0.131,   0.200,   0.315)  ( -0.126,   0.205,   0.322)  ( 0.06,  0.11,  0.19)
179:     bond    ( -1.243,  14.723,   1.076)  ( -1.239,  14.727,   1.080)  ( 0.30,  0.03,  0.41)
179:     angle   ( -2.830, -11.271,   1.923)  ( -2.828, -11.269,   1.924)  ( 0.07,  0.02,  0.10)
179:     strbnd  (  1.105,  -0.095,   0.631)  (  1.104,  -0.095,   0.630)  ( 0.10,  0.01,  0.02)
179:     torsion (  1.263,  -4.544,  -4.977)  (  1.263,  -4.544,  -4.977)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.574,   1.387,   1.663)  (  1.574,   1.387,   1.663)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       ( -7.675,  -0.990,   1.850)  ( -7.670,  -0.984,   1.855)  ( 0.07,  0.60,  0.26)
179:     bond    ( -2.953, -11.140,   2.764)  ( -2.949, -11.136,   2.768)  ( 0.12,  0.04,  0.15)
179:     angle   ( -6.707,  11.635,   3.591)  ( -6.705,  11.637,   3.594)  ( 0.03,  0.02,  0.06)
179:     strbnd  (  1.933,  -1.383,  -4.721)  (  1.932,  -1.383,  -4.722)  ( 0.05,  0.02,  0.03)
179:     torsion ( -0.767,   1.045,   0.680)  ( -0.767,   1.045,   0.680)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.685,  -1.579,   0.134)  ( -1.684,  -1.579,   0.134)  ( 0.01,  0.00,  0.00)
179:     electro (  2.504,   0.432,  -0.598)  (  2.504,   0.432,  -0.598)  ( 0.00,  0.00,  0.00)
179: 29       ( -0.232,  -0.372,  -1.097)  ( -0.323,  -0.236,  -1.026)  ( 2.10,  5.04,  6.49)
179:     bond    ( -3.268,   7.249,   5.605)  ( -3.264,   7.254,   5.609)  ( 0.11,  0.06,  0.08)
179:     angle   (  1.228,  -5.262,  -5.708)  (  1.229,  -5.261,  -5.706)  ( 0.14,  0.03,  0.04)
179:     strbnd  ( -1.075,   1.910,   2.578)  ( -1.075,   1.910,   2.578)  ( 0.06,  0.02,  0.02)
179:     torsion ( -1.983,  -2.819,  -0.108)  ( -1.983,  -2.819,  -0.108)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.919,  -1.262,  -0.629)  (  0.825,  -1.132,  -0.564)  ( 8.72, 10.33,  4.10)
179:     vdw     (  3.898,  -0.356,  -3.193)  (  3.898,  -0.356,  -3.193)  ( 0.00,  0.00,  0.00)
179:     electro (  0.048,   0.168,   0.357)  (  0.048,   0.168,   0.357)  ( 0.00,  0.00,  0.00)
179: 30       (  1.016,   2.220,   3.568)  (  1.737,   1.301,   3.105)  (70.91, 41.39, 12.97)
179:     bond    ( -1.273,  -3.810,   6.037)  ( -1.269,  -3.807,   6.047)  ( 0.30,  0.07,  0.16)
179:     angle   (  1.224,   1.913,   5.350)  (  1.225,   1.914,   5.352)  ( 0.15,  0.07,  0.03)
179:     strbnd  ( -1.468,   0.550,  -3.069)  ( -1.469,   0.549,  -3.071)  ( 0.07,  0.04,  0.07)
179:     torsion ( -0.091,   0.173,   0.599)  ( -0.091,   0.173,   0.599)  ( 0.00,  0.00,  0.00)
179:     oop     ( -3.638,   4.815,   2.435)  ( -2.922,   3.893,   1.963)  (19.69, 19.15, 19.39)
179:     vdw     (  6.948,  -1.148,  -6.767)  (  6.948,  -1.148,  -6.767)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.686,  -0.273,  -1.017)  ( -0.686,  -0.273,  -1.017)  ( 0.00,  0.00,  0.00)
179: 31       (  2.419,  -0.986,  -2.275)  (  2.104,  -0.579,  -2.060)  (13.02, 40.06,  9.46)
179:     bond    (  0.058,   0.328,  -0.551)  (  0.058,   0.330,  -0.546)  ( 0.00,  0.06,  0.28)
179:     angle   ( -2.127,  -1.116,  -0.901)  ( -2.127,  -1.116,  -0.901)  ( 0.03,  0.02,  0.01)
179:     strbnd  ( -0.372,  -0.811,   1.064)  ( -0.372,  -0.811,   1.064)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.357,  -0.491,  -0.258)  (  0.357,  -0.491,  -0.258)  ( 0.00,  0.00,  0.00)
179:     oop     (  1.362,  -1.784,  -0.930)  (  1.047,  -1.380,  -0.720)  (23.18, 22.66, 19.55)
179:     vdw     (  3.653,   3.015,  -1.101)  (  3.653,   3.015,  -1.101)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.512,  -0.127,   0.402)  ( -0.512,  -0.127,   0.402)  ( 0.00,  0.00,  0.00)
179: 32       (  5.348,   0.730,  -4.432)  (  5.046,   1.120,  -4.230)  ( 5.64, 28.45,  4.56)
179:     bond    ( -3.495,  -0.110,  -5.185)  ( -3.493,  -0.110,  -5.181)  ( 0.06,  0.00,  0.09)
179:     angle   (  0.338,   0.315,  -0.235)  (  0.339,   0.316,  -0.235)  ( 0.01,  0.02,  0.00)
179:     strbnd  (  0.426,  -0.497,   1.754)  (  0.426,  -0.497,   1.754)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.160,   0.219,   0.103)  ( -0.160,   0.219,   0.103)  ( 0.00,  0.00,  0.00)
179:     oop     (  1.355,  -1.770,  -0.876)  (  1.050,  -1.382,  -0.679)  (22.48, 21.97, 17.28)
179:     vdw     (  8.930,   2.395,  -1.527)  (  8.930,   2.395,  -1.527)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.046,   0.178,   1.533)  ( -2.046,   0.178,   1.533)  ( 0.00,  0.00,  0.00)
179: 33       (  7.505,  -1.009,   1.807)  (  7.506,  -1.002,   1.810)  ( 0.01,  0.66,  0.20)
179:     bond    ( -0.019,  -1.678,  -1.610)  ( -0.019,  -1.671,  -1.608)  ( 0.00,  0.37,  0.18)
179:     angle   (  8.749,  -2.680,   5.549)  (  8.750,  -2.680,   5.550)  ( 0.01,  0.01,  0.02)
179:     strbnd  (  0.282,  -2.395,  -3.567)  (  0.282,  -2.395,  -3.567)  ( 0.00,  0.00,  0.01)
179:     torsion ( -0.756,   0.926,  -0.619)  ( -0.756,   0.926,  -0.619)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.059,   4.362,   2.702)  (  2.059,   4.362,   2.702)  ( 0.01,  0.00,  0.00)
179:     electro ( -2.810,   0.456,  -0.648)  ( -2.810,   0.456,  -0.648)  ( 0.00,  0.00,  0.00)
179: 34       ( 10.521,   3.577,  -4.419)  ( 10.527,   3.578,  -4.416)  ( 0.06,  0.02,  0.08)
179:     bond    ( 13.740,   3.045, -11.264)  ( 13.745,   3.046, -11.261)  ( 0.04,  0.01,  0.03)
179:     angle   (  3.434,  -0.862,  -3.531)  (  3.435,  -0.861,  -3.530)  ( 0.02,  0.04,  0.03)
179:     strbnd  ( -0.868,  -0.657,   2.046)  ( -0.868,  -0.658,   2.046)  ( 0.01,  0.00,  0.02)
179:     torsion ( -0.397,   0.278,   0.129)  ( -0.397,   0.278,   0.129)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.894,   2.781,   6.709)  ( -1.894,   2.781,   6.709)  ( 0.01,  0.00,  0.00)
179:     electro ( -3.494,  -1.009,   1.492)  ( -3.494,  -1.009,   1.492)  ( 0.00,  0.00,  0.00)
179: 35       (  0.612,  -0.567,  -0.708)  (  0.616,  -0.568,  -0.704)  ( 0.25,  0.04,  0.32)
179:     bond    (  2.204,  -0.030,  -0.236)  (  2.207,  -0.030,  -0.236)  ( 0.17,  0.00,  0.00)
179:     angle   ( -0.031,  -0.619,  -0.215)  ( -0.031,  -0.619,  -0.215)  ( 0.00,  0.04,  0.00)
179:     strbnd  ( -0.630,  -0.117,   0.028)  ( -0.630,  -0.117,   0.028)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.041,   0.142,  -0.401)  ( -0.041,   0.142,  -0.401)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.003,   0.009,  -0.025)  ( -0.002,   0.007,  -0.021)  ( 0.00,  0.00,  0.01)
179:     vdw     ( -0.755,   0.010,   0.078)  ( -0.755,   0.010,   0.078)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.132,   0.038,   0.062)  ( -0.132,   0.038,   0.062)  ( 0.00,  0.00,  0.00)
179: 36       ( -0.249,  -1.029,   0.334)  ( -0.247,  -1.029,   0.343)  ( 0.05,  0.03,  0.32)
179:     bond    (  1.008,  -1.858,  -0.711)  (  1.009,  -1.855,  -0.710)  ( 0.08,  0.14,  0.03)
179:     angle   ( -0.810,  -0.409,  -0.083)  ( -0.810,  -0.408,  -0.083)  ( 0.04,  0.01,  0.00)
179:     strbnd  ( -0.164,   0.654,   0.244)  ( -0.164,   0.654,   0.244)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.047,  -0.195,   0.576)  (  0.047,  -0.195,   0.577)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.004,   0.018,  -0.054)  ( -0.003,   0.015,  -0.045)  ( 0.00,  0.01,  0.05)
179:     vdw     ( -0.412,   0.629,   0.244)  ( -0.412,   0.629,   0.244)  ( 0.00,  0.00,  0.00)
179:     electro (  0.086,   0.132,   0.117)  (  0.086,   0.132,   0.117)  ( 0.00,  0.00,  0.00)
179: 37       ( -1.459,   0.450,  -0.189)  ( -1.459,   0.459,  -0.205)  ( 0.02,  0.38,  0.31)
179:     bond    ( -1.065,  -1.705,  -0.491)  ( -1.064,  -1.702,  -0.491)  ( 0.09,  0.15,  0.01)
179:     angle   (  2.772,  -1.525,  -0.719)  (  2.772,  -1.525,  -0.719)  ( 0.02,  0.01,  0.00)
179:     strbnd  (  0.823,   1.075,   0.277)  (  0.823,   1.075,   0.277)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.096,  -0.361,   1.046)  (  0.096,  -0.361,   1.046)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.009,  -0.035,   0.104)  (  0.007,  -0.030,   0.087)  ( 0.00,  0.02,  0.17)
179:     vdw     ( -4.611,   3.272,  -0.769)  ( -4.611,   3.272,  -0.769)  ( 0.00,  0.00,  0.00)
179:     electro (  0.518,  -0.270,   0.365)  (  0.518,  -0.270,   0.365)  ( 0.00,  0.00,  0.00)
179: 38       (  0.697,  -0.095,  -1.643)  (  0.702,  -0.112,  -1.585)  ( 0.38,  0.16,  3.53)
179:     bond    ( -0.610,   1.154,   0.431)  ( -0.609,   1.156,   0.432)  ( 0.05,  0.23,  0.02)
179:     angle   (  2.171,   1.091,   0.140)  (  2.172,   1.091,   0.140)  ( 0.03,  0.01,  0.00)
179:     strbnd  (  0.292,  -0.874,  -0.249)  (  0.292,  -0.874,  -0.249)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.070,   0.364,  -1.074)  ( -0.070,   0.364,  -1.074)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.025,   0.116,  -0.346)  ( -0.021,   0.097,  -0.289)  ( 0.01,  0.22,  1.99)
179:     vdw     ( -0.968,  -2.087,  -0.646)  ( -0.967,  -2.087,  -0.646)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.094,   0.142,   0.101)  ( -0.094,   0.142,   0.101)  ( 0.00,  0.00,  0.00)
179: 39       (  0.579,   0.285,  -1.567)  (  0.582,   0.284,  -1.555)  ( 0.17,  0.03,  0.77)
179:     bond    (  1.161,   1.766,   0.453)  (  1.162,   1.769,   0.453)  ( 0.09,  0.14,  0.01)
179:     angle   (  0.496,  -0.284,  -0.165)  (  0.497,  -0.284,  -0.165)  ( 0.02,  0.00,  0.00)
179:     strbnd  ( -0.428,  -0.962,  -0.256)  ( -0.428,  -0.962,  -0.256)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.154,   0.452,  -1.372)  ( -0.154,   0.452,  -1.372)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.008,   0.023,  -0.071)  ( -0.007,   0.019,  -0.059)  ( 0.00,  0.01,  0.08)
179:     vdw     ( -0.423,  -0.628,  -0.165)  ( -0.423,  -0.628,  -0.165)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.066,  -0.083,   0.009)  ( -0.066,  -0.083,   0.009)  ( 0.00,  0.00,  0.00)
179: 40       ( -3.312,  -3.973,  -3.279)  ( -3.286,  -3.772,  -3.483)  ( 0.77,  5.06,  6.22)
179:     bond    (  1.250,  -2.067,  -1.848)  (  1.251,  -2.065,  -1.846)  ( 0.07,  0.11,  0.10)
179:     angle   ( -6.227,  -1.125,  -2.962)  ( -6.226,  -1.124,  -2.961)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -0.245,  -0.553,  -0.380)  ( -0.245,  -0.553,  -0.380)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.954,  -0.617,   2.015)  (  1.954,  -0.617,   2.015)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.207,  -1.458,   1.491)  ( -0.183,  -1.260,   1.285)  ( 0.50, 13.62, 13.81)
179:     vdw     ( -0.907,   0.415,  -2.870)  ( -0.907,   0.416,  -2.870)  ( 0.01,  0.00,  0.00)
179:     electro (  1.070,   1.432,   1.274)  (  1.070,   1.432,   1.274)  ( 0.00,  0.00,  0.00)
179: 41       (  0.314,  -0.534,  -1.796)  (  0.320,  -0.537,  -1.831)  ( 0.19,  0.17,  1.93)
179:     bond    (  1.745,  -1.007,   0.287)  (  1.748,  -1.006,   0.287)  ( 0.17,  0.10,  0.00)
179:     angle   (  0.464,   0.801,  -0.015)  (  0.464,   0.801,  -0.015)  ( 0.01,  0.05,  0.00)
179:     strbnd  (  0.646,   0.353,  -0.007)  (  0.646,   0.352,  -0.007)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.413,  -0.701,  -4.980)  (  0.413,  -0.701,  -4.980)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.012,   0.022,   0.147)  ( -0.009,   0.017,   0.112)  ( 0.00,  0.01,  0.51)
179:     vdw     ( -2.888,  -0.070,   2.547)  ( -2.888,  -0.069,   2.547)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.055,   0.069,   0.225)  ( -0.055,   0.069,   0.225)  ( 0.00,  0.00,  0.00)
179: 42       ( -0.601,  -0.039,  -0.247)  ( -0.597,  -0.038,  -0.240)  ( 0.23,  0.00,  0.18)
179:     bond    ( -1.375,   0.917,   0.310)  ( -1.372,   0.918,   0.310)  ( 0.19,  0.11,  0.00)
179:     angle   (  3.321,   4.944,   0.058)  (  3.321,   4.944,   0.059)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -1.480,   0.664,   0.304)  ( -1.480,   0.664,   0.304)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.662,   0.518,  -4.465)  ( -0.662,   0.518,  -4.465)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.006,   0.005,  -0.042)  ( -0.005,   0.004,  -0.035)  ( 0.00,  0.00,  0.03)
179:     vdw     ( -0.590,  -7.239,   3.112)  ( -0.590,  -7.239,   3.112)  ( 0.00,  0.00,  0.00)
179:     electro (  0.193,   0.152,   0.475)  (  0.193,   0.152,   0.475)  ( 0.00,  0.00,  0.00)
179: 43       ( -0.497,   0.648,   1.335)  ( -0.493,   0.649,   1.338)  ( 0.18,  0.06,  0.24)
179:     bond    (  1.870,   0.804,  -0.109)  (  1.873,   0.804,  -0.109)  ( 0.17,  0.05,  0.00)
179:     angle   ( -0.221,   0.524,   0.072)  ( -0.221,   0.524,   0.072)  ( 0.00,  0.03,  0.00)
179:     strbnd  ( -1.440,  -0.145,   0.136)  ( -1.440,  -0.145,   0.136)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.118,  -0.120,   1.139)  (  0.118,  -0.120,   1.139)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.002,   0.002,  -0.018)  ( -0.002,   0.002,  -0.015)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.750,  -0.350,   0.003)  ( -0.750,  -0.350,   0.003)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.071,  -0.066,   0.111)  ( -0.071,  -0.066,   0.111)  ( 0.00,  0.00,  0.00)
179: 44       ( -1.262,   0.524,   0.724)  ( -1.261,   0.527,   0.732)  ( 0.12,  0.15,  0.57)
179:     bond    (  0.202,   1.622,   0.146)  (  0.202,   1.625,   0.146)  ( 0.00,  0.23,  0.00)
179:     angle   ( -1.147,   0.132,   0.122)  ( -1.147,   0.132,   0.122)  ( 0.06,  0.00,  0.00)
179:     strbnd  ( -0.299,  -0.281,   0.005)  ( -0.299,  -0.281,   0.005)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.051,  -0.056,   0.548)  (  0.051,  -0.056,   0.549)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.004,   0.004,  -0.044)  ( -0.004,   0.004,  -0.036)  ( 0.00,  0.00,  0.03)
179:     vdw     ( -0.104,  -0.746,  -0.073)  ( -0.104,  -0.746,  -0.073)  ( 0.00,  0.00,  0.00)
179:     electro (  0.039,  -0.152,   0.018)  (  0.039,  -0.152,   0.018)  ( 0.00,  0.00,  0.00)
179: 45       ( -1.564,  -0.339,  -0.643)  ( -1.563,  -0.337,  -0.657)  ( 0.08,  0.10,  0.90)
179:     bond    ( -2.026,   1.473,   0.312)  ( -2.024,   1.474,   0.312)  ( 0.12,  0.09,  0.00)
179:     angle   ( -0.884,  -1.211,  -0.011)  ( -0.883,  -1.211,  -0.011)  ( 0.02,  0.04,  0.00)
179:     strbnd  (  0.669,   0.039,  -0.071)  (  0.669,   0.039,  -0.071)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.083,   0.075,  -0.891)  ( -0.083,   0.075,  -0.891)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.008,  -0.007,   0.085)  (  0.007,  -0.006,   0.071)  ( 0.00,  0.00,  0.12)
179:     vdw     (  0.563,  -0.681,  -0.091)  (  0.563,  -0.681,  -0.091)  ( 0.00,  0.00,  0.00)
179:     electro (  0.189,  -0.027,   0.024)  (  0.189,  -0.027,   0.024)  ( 0.00,  0.00,  0.00)
179: 46       (  0.161,  -1.444,  -1.223)  (  0.162,  -1.442,  -1.237)  ( 0.03,  0.16,  1.12)
179:     bond    ( -1.548,  -0.548,   0.144)  ( -1.545,  -0.547,   0.145)  ( 0.21,  0.02,  0.00)
179:     angle   ( -2.690,   7.839,   0.924)  ( -2.690,   7.840,   0.924)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  2.263,   1.431,  -0.188)  (  2.263,   1.431,  -0.188)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.041,   0.010,  -0.399)  ( -0.041,   0.010,  -0.398)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.011,  -0.007,   0.092)  (  0.009,  -0.006,   0.078)  ( 0.00,  0.00,  0.13)
179:     vdw     (  2.373, -10.506,  -1.864)  (  2.373, -10.506,  -1.864)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.207,   0.336,   0.067)  ( -0.207,   0.336,   0.067)  ( 0.00,  0.00,  0.00)
179: 47       ( -0.364,   0.001,   0.224)  ( -0.363,   0.002,   0.227)  ( 0.04,  0.00,  0.06)
179:     bond    (  2.065,   0.651,   4.277)  (  2.066,   0.651,   4.280)  ( 0.03,  0.01,  0.06)
179:     angle   ( -1.189,   0.877,   0.440)  ( -1.189,   0.878,   0.440)  ( 0.04,  0.06,  0.01)
179:     strbnd  ( -1.004,  -2.559,  -2.464)  ( -1.004,  -2.559,  -2.464)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.081,   1.012,  -0.193)  (  0.081,   1.012,  -0.193)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.317,   0.020,  -1.836)  ( -0.317,   0.020,  -1.835)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 48       (  0.158,   0.208,   0.381)  (  0.161,   0.209,   0.382)  ( 0.05,  0.03,  0.02)
179:     bond    ( -1.345,  -0.662,  -0.174)  ( -1.342,  -0.661,  -0.174)  ( 0.21,  0.04,  0.00)
179:     angle   (  2.482,  -5.347,   1.171)  (  2.482,  -5.347,   1.171)  ( 0.00,  0.01,  0.04)
179:     strbnd  ( -0.569,  -0.838,  -0.623)  ( -0.569,  -0.838,  -0.623)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.479,  -1.375,   1.531)  (  0.479,  -1.375,   1.531)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.889,   8.429,  -1.524)  ( -0.889,   8.429,  -1.524)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 49       (  0.370,  -0.684,   0.437)  (  0.371,  -0.684,   0.441)  ( 0.03,  0.03,  0.14)
179:     bond    ( -0.186,   0.025,  -0.685)  ( -0.186,   0.025,  -0.682)  ( 0.00,  0.00,  0.22)
179:     angle   (  1.336,  -2.129,  -0.442)  (  1.336,  -2.128,  -0.442)  ( 0.04,  0.02,  0.00)
179:     strbnd  (  0.611,  -0.262,  -0.310)  (  0.611,  -0.262,  -0.310)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.104,  -0.201,   0.021)  ( -0.104,  -0.201,   0.021)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.287,   1.882,   1.854)  ( -1.287,   1.882,   1.854)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 50       (  0.588,   0.088,   1.012)  (  0.589,   0.092,   1.013)  ( 0.04,  0.03,  0.07)
179:     bond    (  0.403,  -2.471,   0.627)  (  0.403,  -2.468,   0.627)  ( 0.00,  0.12,  0.01)
179:     angle   (  5.516,   0.699,  -0.794)  (  5.517,   0.699,  -0.793)  ( 0.01,  0.00,  0.04)
179:     strbnd  (  0.314,   1.208,  -0.817)  (  0.314,   1.208,  -0.817)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.531,  -0.207,  -0.474)  ( -0.531,  -0.207,  -0.474)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.114,   0.860,   2.470)  ( -5.114,   0.860,   2.470)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 51       ( -0.316,  -0.193,  -0.505)  ( -0.315,  -0.192,  -0.503)  ( 0.06,  0.02,  0.10)
179:     bond    (  0.716,  -0.298,  -0.826)  (  0.717,  -0.297,  -0.824)  ( 0.10,  0.01,  0.15)
179:     angle   (  1.189,  -5.329,   2.958)  (  1.189,  -5.328,   2.959)  ( 0.03,  0.01,  0.01)
179:     strbnd  ( -0.047,  -0.589,  -0.422)  ( -0.047,  -0.589,  -0.422)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.936,  -0.735,   1.080)  (  0.936,  -0.735,   1.080)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.110,   6.758,  -3.296)  ( -3.110,   6.758,  -3.296)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 52       ( -0.101,  -0.092,  -0.176)  ( -0.100,  -0.090,  -0.175)  ( 0.01,  0.02,  0.01)
179:     bond    (  1.134,  -2.431,   0.852)  (  1.134,  -2.428,   0.852)  ( 0.05,  0.10,  0.03)
179:     angle   ( -3.696,  -1.139,   1.674)  ( -3.696,  -1.138,   1.675)  ( 0.01,  0.01,  0.03)
179:     strbnd  ( -1.209,   1.211,  -0.450)  ( -1.209,   1.211,  -0.450)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.018,   0.060,   0.194)  ( -0.018,   0.060,   0.194)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.689,   2.206,  -2.447)  (  3.689,   2.206,  -2.447)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 53       (  0.304,  -0.091,  -0.474)  (  0.305,  -0.090,  -0.471)  ( 0.04,  0.01,  0.12)
179:     bond    ( -0.341,  -0.134,  -0.569)  ( -0.341,  -0.134,  -0.567)  ( 0.03,  0.00,  0.14)
179:     angle   (  0.912,  -4.148,   0.434)  (  0.913,  -4.147,   0.434)  ( 0.03,  0.01,  0.01)
179:     strbnd  ( -0.362,  -0.327,   0.331)  ( -0.362,  -0.327,   0.331)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.427,  -0.471,  -0.145)  (  0.427,  -0.471,  -0.145)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.333,   4.990,  -0.524)  ( -0.333,   4.990,  -0.524)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 54       (  0.047,   0.327,   0.213)  (  0.048,   0.328,   0.216)  ( 0.00,  0.04,  0.06)
179:     bond    (  0.044,   0.448,  -1.022)  (  0.044,   0.449,  -1.019)  ( 0.00,  0.02,  0.28)
179:     angle   ( -5.073,   4.709,   1.855)  ( -5.072,   4.710,   1.855)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -0.688,  -1.108,  -0.508)  ( -0.688,  -1.108,  -0.508)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.301,   0.513,   0.239)  (  0.301,   0.513,   0.239)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.463,  -4.236,  -0.352)  (  5.463,  -4.236,  -0.352)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 55       ( -0.139,  -0.301,   0.325)  ( -0.139,  -0.299,   0.327)  ( 0.01,  0.06,  0.06)
179:     bond    (  0.004,  -0.058,  -0.057)  (  0.004,  -0.056,  -0.056)  ( 0.00,  0.01,  0.01)
179:     angle   ( -0.993,   1.847,  -1.929)  ( -0.992,   1.847,  -1.929)  ( 0.07,  0.01,  0.01)
179:     strbnd  ( -0.720,  -1.271,   0.377)  ( -0.720,  -1.271,   0.377)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.101,   0.125,  -0.120)  (  0.101,   0.125,  -0.120)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.469,  -0.945,   2.055)  (  1.469,  -0.944,   2.055)  ( 0.01,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 56       ( -0.037,  -0.300,  -0.241)  ( -0.036,  -0.299,  -0.238)  ( 0.00,  0.04,  0.06)
179:     bond    (  0.176,   1.777,  -3.219)  (  0.177,   1.777,  -3.216)  ( 0.00,  0.04,  0.08)
179:     angle   ( -1.373,  -1.962,  -1.160)  ( -1.373,  -1.962,  -1.159)  ( 0.05,  0.02,  0.01)
179:     strbnd  ( -0.304,   0.067,   1.171)  ( -0.304,   0.067,   1.171)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.378,   0.531,   0.218)  ( -1.378,   0.532,   0.218)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.841,  -0.714,   2.749)  (  2.842,  -0.714,   2.749)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 57       (  0.041,   0.148,  -0.296)  (  0.041,   0.150,  -0.294)  ( 0.00,  0.03,  0.06)
179:     bond    ( -0.135,   2.007,   2.146)  ( -0.135,   2.009,   2.147)  ( 0.00,  0.08,  0.08)
179:     angle   (  0.451,  -0.692,   0.675)  (  0.452,  -0.692,   0.675)  ( 0.03,  0.02,  0.02)
179:     strbnd  ( -0.177,  -0.030,  -0.939)  ( -0.177,  -0.030,  -0.939)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.075,  -0.300,   0.213)  ( -1.075,  -0.300,   0.213)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.976,  -0.838,  -2.392)  (  0.976,  -0.838,  -2.392)  ( 0.02,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 58       ( -0.254,   0.017,  -0.064)  ( -0.254,   0.019,  -0.062)  ( 0.02,  0.00,  0.02)
179:     bond    ( -0.040,  -1.500,   1.928)  ( -0.040,  -1.499,   1.930)  ( 0.00,  0.08,  0.11)
179:     angle   ( -1.136,   1.312,   0.995)  ( -1.135,   1.312,   0.995)  ( 0.05,  0.03,  0.02)
179:     strbnd  (  0.280,  -0.457,  -0.574)  (  0.280,  -0.457,  -0.574)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.158,   0.214,   0.170)  (  0.158,   0.214,   0.170)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.484,   0.449,  -2.583)  (  0.484,   0.449,  -2.583)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 59       ( -0.039,   0.371,   0.524)  ( -0.039,   0.373,   0.526)  ( 0.00,  0.07,  0.11)
179:     bond    (  0.250,   2.246,  -2.453)  (  0.250,   2.247,  -2.451)  ( 0.00,  0.07,  0.07)
179:     angle   ( -0.227,   0.092,   0.062)  ( -0.226,   0.092,   0.062)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.193,  -0.135,   1.231)  ( -0.193,  -0.135,   1.231)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.564,   2.085,   1.969)  (  0.564,   2.085,   1.969)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.433,  -3.917,  -0.285)  ( -0.433,  -3.917,  -0.285)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 60       ( -0.063,  -0.072,   0.504)  ( -0.062,  -0.071,   0.506)  ( 0.01,  0.01,  0.13)
179:     bond    (  0.260,   1.745,   3.031)  (  0.260,   1.746,   3.033)  ( 0.00,  0.05,  0.08)
179:     angle   (  3.751,  -1.603,   0.601)  (  3.752,  -1.603,   0.601)  ( 0.02,  0.02,  0.01)
179:     strbnd  ( -0.199,  -0.015,  -1.540)  ( -0.199,  -0.015,  -1.540)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.382,   1.853,  -0.948)  ( -1.382,   1.853,  -0.948)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.493,  -2.052,  -0.640)  ( -2.493,  -2.052,  -0.640)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 61       ( -0.281,   0.189,  -0.034)  ( -0.280,   0.192,  -0.033)  ( 0.02,  0.06,  0.00)
179:     bond    (  0.133,  -2.004,   0.580)  (  0.133,  -2.001,   0.581)  ( 0.00,  0.15,  0.02)
179:     angle   (  0.076,  -0.444,  -1.547)  (  0.077,  -0.444,  -1.546)  ( 0.00,  0.00,  0.04)
179:     strbnd  ( -0.121,  -0.013,   0.295)  ( -0.121,  -0.013,   0.295)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.940,   0.033,  -0.103)  (  0.940,   0.033,  -0.103)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.309,   2.616,   0.740)  ( -1.309,   2.616,   0.740)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 62       ( -0.037,   0.359,   0.037)  ( -0.037,   0.362,   0.038)  ( 0.00,  0.10,  0.00)
179:     bond    ( -0.580,   1.889,  -0.905)  ( -0.580,   1.891,  -0.905)  ( 0.01,  0.13,  0.05)
179:     angle   ( -0.273,   0.763,   1.769)  ( -0.273,   0.763,   1.769)  ( 0.01,  0.01,  0.02)
177:     vdw     (  0.333,  -8.190,  -5.814)  (  0.333,  -8.190,  -5.813)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.192,   1.450,   3.884)  ( -0.192,   1.450,   3.884)  ( 0.00,  0.00,  0.00)
177: 18       (  5.790, -10.626,  -8.101)  (  5.796, -10.620,  -8.095)  ( 0.10,  0.05,  0.07)
177:     bond    (  8.725, -11.934,  -3.140)  (  8.729, -11.929,  -3.136)  ( 0.04,  0.04,  0.13)
177:     angle   ( -9.764,  -7.159,  -6.067)  ( -9.762,  -7.157,  -6.065)  ( 0.02,  0.03,  0.03)
177:     strbnd  ( -5.015,  10.337,   3.735)  ( -5.015,  10.336,   3.735)  ( 0.00,  0.02,  0.02)
177:     torsion ( -0.197,   1.065,  -2.228)  ( -0.197,   1.065,  -2.228)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.854,  -1.808,   0.220)  ( 10.854,  -1.808,   0.220)  ( 0.00,  0.00,  0.00)
177:     electro (  1.186,  -1.127,  -0.621)  (  1.186,  -1.127,  -0.621)  ( 0.00,  0.00,  0.00)
177: 19       (  3.262, -11.126,   7.782)  (  3.268, -11.121,   7.787)  ( 0.17,  0.05,  0.06)
177:     bond    (  1.121,  -2.081,   3.281)  (  1.125,  -2.077,   3.285)  ( 0.37,  0.19,  0.12)
177:     angle   ( -4.420,  -2.772,   7.469)  ( -4.418,  -2.771,   7.471)  ( 0.04,  0.06,  0.02)
177:     strbnd  (  0.275,   1.768,  -3.446)  (  0.274,   1.768,  -3.447)  ( 0.01,  0.03,  0.03)
177:     torsion (  2.173,  -4.215,  -2.094)  (  2.173,  -4.215,  -2.094)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.113,  -3.826,   2.573)  (  4.113,  -3.826,   2.573)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       ( -6.870,  36.702,  -5.681)  ( -6.722,  36.693,  -6.048)  ( 2.15,  0.02,  6.46)
177:     bond    (-25.048,  -5.303,  -9.231)  (-25.043,  -5.295,  -9.230)  ( 0.02,  0.16,  0.01)
177:     angle   ( 27.154,  45.020,   3.962)  ( 27.157,  45.022,   3.962)  ( 0.01,  0.01,  0.00)
177:     strbnd  ( -8.325,   2.343,  -3.287)  ( -8.326,   2.342,  -3.287)  ( 0.01,  0.03,  0.00)
177:     torsion ( -0.784,   0.421,   0.854)  ( -0.784,   0.421,   0.855)  ( 0.01,  0.00,  0.10)
177:     oop     ( -0.853,   0.117,   2.254)  ( -0.713,   0.098,   1.885)  (11.97,  0.23, 16.38)
177:     vdw     ( -7.531,  -5.686,  -2.010)  ( -7.531,  -5.686,  -2.010)  ( 0.00,  0.00,  0.00)
177:     electro (  8.518,  -0.209,   1.778)  (  8.518,  -0.209,   1.778)  ( 0.00,  0.00,  0.00)
177: 21       (-22.969,  25.239, -11.051)  (-22.997,  25.251, -10.962)  ( 0.12,  0.05,  0.80)
177:     bond    (  1.411,  -0.192,   0.529)  (  1.413,  -0.184,   0.530)  ( 0.16,  0.16,  0.02)
177:     angle   (-46.884,  20.267, -18.839)  (-46.882,  20.268, -18.839)  ( 0.00,  0.00,  0.00)
177:     strbnd  ( 12.752,   3.510,   4.513)  ( 12.751,   3.510,   4.513)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.598,   0.098,   1.696)  ( -0.597,   0.098,   1.697)  ( 0.01,  0.00,  0.05)
177:     oop     (  0.246,  -0.028,  -0.654)  (  0.213,  -0.025,  -0.567)  ( 0.80,  0.01,  5.70)
177:     vdw     (  4.514,   7.067,  -1.941)  (  4.514,   7.067,  -1.941)  ( 0.00,  0.00,  0.00)
177:     electro (  5.590,  -5.484,   3.645)  (  5.590,  -5.484,   3.645)  ( 0.00,  0.00,  0.00)
177: 22       ( 25.973,  -4.939,  11.390)  ( 25.954,  -4.927,  11.463)  ( 0.08,  0.25,  0.64)
177:     bond    (  5.877,  -7.278,   2.737)  (  5.883,  -7.273,   2.738)  ( 0.10,  0.07,  0.03)
177:     angle   ( 43.794,  -7.031,  17.104)  ( 43.796,  -7.028,  17.104)  ( 0.00,  0.03,  0.00)
177:     strbnd  (-22.680,  -3.722,  -8.477)  (-22.681,  -3.722,  -8.477)  ( 0.00,  0.01,  0.00)
177:     torsion (  0.130,  -0.036,  -0.336)  (  0.130,  -0.036,  -0.335)  ( 0.00,  0.00,  0.04)
177:     oop     (  0.109,  -0.020,  -0.288)  (  0.082,  -0.015,  -0.218)  ( 0.29,  0.01,  2.03)
177:     vdw     ( -2.056,  15.026,   0.263)  ( -2.056,  15.026,   0.263)  ( 0.00,  0.00,  0.00)
177:     electro (  0.800,  -1.878,   0.388)  (  0.800,  -1.878,   0.388)  ( 0.00,  0.00,  0.00)
177: 23       (-28.137, -37.839,  -8.334)  (-28.148, -37.828,  -8.283)  ( 0.04,  0.03,  0.61)
177:     bond    ( -0.604, -30.983,   1.773)  ( -0.599, -30.977,   1.774)  ( 0.32,  0.02,  0.05)
177:     angle   (-36.863, -14.117, -12.692)  (-36.861, -14.115, -12.691)  ( 0.01,  0.01,  0.00)
177:     strbnd  (  7.549,   3.290,   2.655)  (  7.548,   3.290,   2.655)  ( 0.01,  0.03,  0.01)
177:     torsion (  0.142,  -0.020,  -0.374)  (  0.142,  -0.020,  -0.373)  ( 0.00,  0.00,  0.04)
177:     oop     (  0.061,  -0.009,  -0.157)  (  0.042,  -0.006,  -0.109)  ( 0.11,  0.00,  0.76)
177:     vdw     (  4.758,   7.545,   1.424)  (  4.758,   7.546,   1.424)  ( 0.00,  0.00,  0.00)
177:     electro ( -3.179,  -3.546,  -0.964)  ( -3.179,  -3.546,  -0.964)  ( 0.00,  0.00,  0.00)
177: 24       (-10.644,  46.320,  -7.304)  (-10.601,  46.321,  -7.383)  ( 0.41,  0.00,  1.07)
177:     bond    ( -7.128,  36.476,  -5.032)  ( -7.118,  36.481,  -5.030)  ( 0.14,  0.02,  0.03)
177:     angle   (  3.045,   5.260,   0.441)  (  3.047,   5.262,   0.441)  ( 0.07,  0.05,  0.02)
177:     strbnd  (  3.284,   4.936,   0.917)  (  3.283,   4.934,   0.917)  ( 0.03,  0.02,  0.03)
177:     torsion ( -0.033,  -0.002,   0.110)  ( -0.033,  -0.002,   0.110)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.164,   0.025,   0.425)  ( -0.132,   0.020,   0.344)  ( 0.53,  0.01,  3.44)
177:     vdw     (  3.476,  -4.869,   1.621)  (  3.476,  -4.869,   1.621)  ( 0.00,  0.00,  0.00)
177:     electro (-13.123,   4.494,  -5.786)  (-13.123,   4.494,  -5.786)  ( 0.00,  0.00,  0.00)
177: 25       (  2.890, -52.759,   7.938)  (  2.866, -52.746,   8.021)  ( 0.81,  0.03,  1.05)
177:     bond    (  8.283,   2.133,   2.726)  (  8.290,   2.140,   2.727)  ( 0.08,  0.31,  0.03)
177:     angle   ( -6.422, -45.385,   1.001)  ( -6.420, -45.383,   1.001)  ( 0.02,  0.01,  0.03)
177:     strbnd  (-10.186,  -7.939,  -3.501)  (-10.187,  -7.938,  -3.501)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.692,  -0.055,  -1.836)  (  0.692,  -0.055,  -1.835)  ( 0.01,  0.00,  0.06)
177:     oop     (  0.204,  -0.021,  -0.530)  (  0.173,  -0.017,  -0.449)  ( 0.63,  0.01,  4.31)
177:     vdw     (  8.959,  -7.735,   8.017)  (  8.959,  -7.735,   8.017)  ( 0.00,  0.01,  0.00)
177:     electro (  1.360,   6.242,   2.061)  (  1.360,   6.242,   2.061)  ( 0.00,  0.00,  0.00)
177: 26       (-24.717, -18.946,  -4.036)  (-24.728, -18.935,  -3.986)  ( 0.04,  0.06,  1.24)
177:     bond    (-24.696,   9.518, -10.388)  (-24.690,   9.523, -10.387)  ( 0.03,  0.05,  0.01)
177:     angle   ( -7.991, -22.014,  -4.231)  ( -7.989, -22.012,  -4.230)  ( 0.02,  0.01,  0.01)
177:     strbnd  (  7.348,  -6.906,   2.805)  (  7.348,  -6.906,   2.805)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.081,  -0.067,  -0.270)  (  0.081,  -0.067,  -0.270)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.110,  -0.023,  -0.279)  (  0.091,  -0.019,  -0.231)  ( 0.20,  0.01,  1.33)
177:     vdw     (  0.759,  -0.386,   8.493)  (  0.759,  -0.386,   8.493)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.328,   0.932,  -0.167)  ( -0.328,   0.932,  -0.167)  ( 0.00,  0.00,  0.00)
177: 27       ( 43.032,  25.104,  14.730)  ( 43.049,  25.107,  14.703)  ( 0.04,  0.01,  0.19)
177:     bond    ( 18.803,  -4.833,   7.511)  ( 18.809,  -4.830,   7.512)  ( 0.03,  0.06,  0.01)
177:     angle   ( 18.124,  40.689,   3.688)  ( 18.124,  40.692,   3.688)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  3.463, -10.759,   2.073)  (  3.463, -10.760,   2.073)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.026,  -0.003,  -0.071)  (  0.026,  -0.003,  -0.071)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.076,   0.016,   0.200)  ( -0.065,   0.014,   0.171)  ( 0.09,  0.00,  0.58)
177:     vdw     (  0.932,  -1.439,   0.904)  (  0.932,  -1.439,   0.904)  ( 0.01,  0.00,  0.00)
177:     electro (  1.760,   1.432,   0.427)  (  1.760,   1.432,   0.427)  ( 0.00,  0.00,  0.00)
177: 28       ( 11.894, -38.621,   7.172)  ( 11.897, -38.613,   7.186)  ( 0.02,  0.02,  0.20)
177:     bond    ( 10.457,  12.301,   2.949)  ( 10.462,  12.307,   2.950)  ( 0.05,  0.05,  0.03)
177:     angle   ( -9.168, -55.992,   0.592)  ( -9.166, -55.990,   0.592)  ( 0.03,  0.00,  0.03)
177:     strbnd  ( 10.254,   8.892,   3.121)  ( 10.253,   8.891,   3.121)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.078,   0.016,   0.208)  ( -0.078,   0.016,   0.209)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.033,  -0.007,  -0.088)  (  0.029,  -0.006,  -0.076)  ( 0.02,  0.00,  0.11)
177:     vdw     (  0.152,   1.397,  -0.108)  (  0.152,   1.397,  -0.108)  ( 0.00,  0.00,  0.00)
177:     electro (  0.245,  -5.228,   0.497)  (  0.245,  -5.228,   0.497)  ( 0.00,  0.00,  0.00)
177: 29       ( 12.410,   3.420,   4.766)  ( 12.399,   3.425,   4.814)  ( 0.09,  0.14,  1.01)
177:     bond    (  4.738,  -2.006,   1.986)  (  4.745,  -2.005,   1.987)  ( 0.15,  0.06,  0.06)
177:     angle   (  4.344,  11.246,   0.976)  (  4.344,  11.247,   0.976)  ( 0.00,  0.01,  0.00)
177:     strbnd  (  8.204,  -1.157,   3.293)  (  8.204,  -1.157,   3.293)  ( 0.00,  0.02,  0.00)
177:     torsion ( -0.049,   0.009,   0.126)  ( -0.049,   0.009,   0.127)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.076,  -0.012,  -0.195)  (  0.058,  -0.009,  -0.148)  ( 0.14,  0.00,  0.91)
177:     vdw     ( -0.237,  -3.506,   0.148)  ( -0.237,  -3.506,   0.148)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.665,  -1.154,  -1.568)  ( -4.665,  -1.154,  -1.568)  ( 0.00,  0.00,  0.00)
177: 30       ( -0.901,  29.900,  -2.380)  ( -0.892,  29.905,  -2.388)  ( 0.85,  0.02,  0.32)
177:     bond    ( -4.277,   0.277,  -1.598)  ( -4.272,   0.282,  -1.594)  ( 0.12,  0.12,  0.27)
177:     angle   ( 12.189,  27.647,   2.441)  ( 12.190,  27.649,   2.443)  ( 0.02,  0.01,  0.06)
177:     strbnd  (-12.899,  -0.004,  -4.802)  (-12.901,  -0.005,  -4.803)  ( 0.02,  0.00,  0.01)
177:     torsion ( -0.029,  -0.010,   0.078)  ( -0.029,  -0.010,   0.078)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.021,   0.004,   0.055)  ( -0.016,   0.003,   0.042)  ( 0.01,  0.00,  0.07)
177:     vdw     (  2.572,   3.686,   0.693)  (  2.572,   3.686,   0.693)  ( 0.00,  0.00,  0.00)
177:     electro (  1.563,  -1.700,   0.754)  (  1.563,  -1.700,   0.754)  ( 0.00,  0.00,  0.00)
177: 31       ( -2.541,  -1.390,   5.410)  ( -2.521,  -1.388,   5.379)  ( 0.76,  0.19,  0.57)
177:     bond    (  2.316,  -1.013,   0.462)  (  2.320,  -1.009,   0.466)  ( 0.17,  0.39,  0.18)
177:     angle   ( -1.033,  -3.283,   3.719)  ( -1.030,  -3.281,   3.721)  ( 0.20,  0.06,  0.05)
177:     strbnd  ( -1.912,   0.920,  -0.790)  ( -1.913,   0.919,  -0.791)  ( 0.04,  0.06,  0.08)
177:     torsion ( -0.089,   0.197,   0.525)  ( -0.089,   0.197,   0.525)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.059,   0.012,   0.150)  ( -0.045,   0.010,   0.114)  ( 0.08,  0.00,  0.53)
177:     vdw     ( -0.575,   2.524,   1.662)  ( -0.575,   2.524,   1.662)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.188,  -0.749,  -0.319)  ( -1.188,  -0.749,  -0.319)  ( 0.00,  0.00,  0.00)
177: 32       ( -0.533,   9.885,  -5.279)  ( -0.528,   9.891,  -5.275)  ( 0.30,  0.05,  0.09)
177:     bond    ( -0.397,   0.967,   0.156)  ( -0.393,   0.971,   0.160)  ( 0.16,  0.37,  0.06)
177:     angle   (  1.310,   8.321,  -3.491)  (  1.312,   8.323,  -3.489)  ( 0.14,  0.02,  0.06)
177:     strbnd  (  0.932,  -1.664,  -0.673)  (  0.932,  -1.665,  -0.674)  ( 0.03,  0.04,  0.07)
177:     torsion ( -1.283,   1.507,   0.186)  ( -1.282,   1.508,   0.186)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.096,   0.754,  -1.457)  ( -1.096,   0.754,  -1.457)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 33       ( -0.762,  -6.186,  -6.819)  ( -0.756,  -6.181,  -6.814)  ( 0.42,  0.08,  0.08)
177:     bond    ( -0.257,   0.740,  -0.064)  ( -0.253,   0.744,  -0.060)  ( 0.11,  0.30,  0.03)
177:     angle   ( -0.057,  -7.999,  -0.743)  ( -0.055,  -7.998,  -0.742)  ( 0.01,  0.02,  0.13)
177:     strbnd  ( -0.135,   0.372,   0.957)  ( -0.135,   0.371,   0.957)  ( 0.01,  0.03,  0.07)
177:     torsion (  0.594,   0.454,  -0.563)  (  0.594,   0.454,  -0.563)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.907,   0.247,  -6.406)  ( -0.907,   0.247,  -6.406)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 34       (  3.845, -11.220,   1.372)  (  3.846, -11.218,   1.373)  ( 0.03,  0.02,  0.05)
177:     bond    (  5.169, -14.116,   0.695)  (  5.169, -14.113,   0.695)  ( 0.01,  0.02,  0.01)
177:     angle   (  3.342,   1.196,  -0.586)  (  3.343,   1.196,  -0.585)  ( 0.02,  0.01,  0.03)
177:     strbnd  ( -1.346,  -0.265,  -0.102)  ( -1.346,  -0.265,  -0.102)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.449,   0.094,  -1.417)  (  0.449,   0.094,  -1.417)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.769,   1.870,   2.782)  ( -3.769,   1.870,   2.782)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 35       (  3.186,   4.348, -12.560)  (  3.187,   4.349, -12.557)  ( 0.03,  0.02,  0.02)
177:     bond    (  3.564,   5.536, -13.771)  (  3.564,   5.537, -13.769)  ( 0.01,  0.01,  0.02)
177:     angle   (  4.272,   0.896,   1.466)  (  4.273,   0.896,   1.466)  ( 0.01,  0.04,  0.01)
177:     strbnd  ( -1.404,  -0.280,   0.081)  ( -1.404,  -0.280,   0.081)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.176,  -0.765,  -0.353)  ( -0.176,  -0.765,  -0.353)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.070,  -1.039,   0.017)  ( -3.070,  -1.039,   0.017)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 36       ( 12.939,  -0.809,   0.266)  ( 12.942,  -0.808,   0.266)  ( 0.02,  0.05,  0.02)
177:     bond    ( 14.948,  -0.872,  -2.186)  ( 14.951,  -0.871,  -2.186)  ( 0.02,  0.01,  0.01)
177:     angle   ( -0.194,  -0.295,  -1.209)  ( -0.194,  -0.294,  -1.209)  ( 0.00,  0.01,  0.05)
177:     strbnd  ( -0.620,   0.104,   0.833)  ( -0.620,   0.104,   0.833)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.055,   0.235,   0.284)  (  0.055,   0.235,   0.284)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.250,   0.018,   2.544)  ( -1.250,   0.018,   2.544)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 37       ( -3.970,  10.635,   0.243)  ( -3.969,  10.638,   0.244)  ( 0.02,  0.03,  0.02)
177:     bond    ( -3.964,  14.301,  -1.740)  ( -3.964,  14.304,  -1.740)  ( 0.01,  0.02,  0.01)
177:     angle   (  0.591,  -0.040,  -1.679)  (  0.592,  -0.040,  -1.678)  ( 0.03,  0.00,  0.03)
177:     strbnd  (  0.204,  -0.463,   0.799)  (  0.204,  -0.463,   0.799)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.285,   0.262,  -0.775)  (  1.285,   0.262,  -0.775)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.086,  -3.424,   3.639)  ( -2.086,  -3.424,   3.639)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 38       ( -0.865,  -4.190,  12.257)  ( -0.865,  -4.189,  12.259)  ( 0.07,  0.02,  0.02)
177:     bond    ( -3.389,  -5.369,  13.737)  ( -3.388,  -5.369,  13.739)  ( 0.01,  0.01,  0.02)
177:     angle   ( -1.029,  -0.520,  -0.457)  ( -1.029,  -0.520,  -0.457)  ( 0.05,  0.02,  0.00)
177:     strbnd  (  0.813,   0.452,  -0.424)  (  0.813,   0.452,  -0.424)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.168,   0.305,   0.160)  (  0.168,   0.305,   0.160)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.572,   0.942,  -0.759)  (  2.572,   0.942,  -0.759)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 39       ( -2.366,  11.043,  -1.302)  ( -2.365,  11.045,  -1.301)  ( 0.04,  0.02,  0.05)
177:     bond    ( -5.175,  13.998,  -0.756)  ( -5.174,  14.001,  -0.756)  ( 0.01,  0.02,  0.01)
177:     angle   ( -1.747,  -0.629,   0.301)  ( -1.746,  -0.629,   0.301)  ( 0.03,  0.00,  0.01)
177:     strbnd  (  0.846,  -0.285,   0.215)  (  0.846,  -0.285,   0.215)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.933,  -0.284,   1.129)  ( -0.933,  -0.284,   1.129)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.643,  -1.758,  -2.190)  (  4.643,  -1.758,  -2.190)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 40       (-14.084,   0.166,   1.101)  (-14.081,   0.167,   1.102)  ( 0.02,  0.01,  0.07)
177:     bond    (-15.161,   0.766,   2.378)  (-15.158,   0.766,   2.378)  ( 0.02,  0.01,  0.01)
177:     angle   (  0.632,  -0.293,   4.123)  (  0.632,  -0.293,   4.124)  ( 0.00,  0.01,  0.01)
177:     strbnd  (  0.268,   0.146,  -1.361)  (  0.268,   0.146,  -1.361)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.102,  -0.786,  -0.394)  ( -0.102,  -0.786,  -0.394)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.279,   0.334,  -3.644)  (  0.280,   0.334,  -3.644)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 41       (  4.171, -11.140,   1.325)  (  4.172, -11.137,   1.325)  ( 0.02,  0.02,  0.06)
177:     bond    (  4.150, -14.362,   1.795)  (  4.150, -14.360,   1.795)  ( 0.01,  0.02,  0.01)
177:     angle   ( -1.040,   0.213,   4.111)  ( -1.039,   0.213,   4.111)  ( 0.04,  0.00,  0.01)
177:     strbnd  (  0.104,   0.125,  -1.337)  (  0.104,   0.125,  -1.337)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.377,  -0.373,   0.198)  ( -1.377,  -0.373,   0.198)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.335,   3.257,  -3.441)  (  2.335,   3.257,  -3.441)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 42       ( -4.567,  10.654,  -2.215)  ( -4.567,  10.656,  -2.215)  ( 0.02,  0.03,  0.03)
177:     bond    ( -3.731,  13.029,  -0.572)  ( -3.730,  13.032,  -0.572)  ( 0.01,  0.02,  0.00)
177:     angle   (  1.346,   0.459,   1.669)  (  1.346,   0.459,   1.669)  ( 0.03,  0.00,  0.03)
177:     strbnd  ( -0.246,  -0.135,  -0.322)  ( -0.246,  -0.135,  -0.322)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.006,  -0.001,   0.005)  ( -0.006,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.931,  -2.698,  -2.995)  ( -1.931,  -2.698,  -2.995)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 43       ( 11.621,  -1.350,  -2.700)  ( 11.624,  -1.349,  -2.700)  ( 0.03,  0.04,  0.02)
177:     bond    ( 13.434,  -0.728,  -1.655)  ( 13.437,  -0.728,  -1.655)  ( 0.02,  0.01,  0.01)
177:     angle   (  0.239,  -0.414,   2.123)  (  0.239,  -0.413,   2.123)  ( 0.00,  0.02,  0.02)
177:     strbnd  ( -0.632,  -0.208,  -0.263)  ( -0.633,  -0.208,  -0.263)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.014,   0.348,  -0.265)  ( -0.014,   0.348,  -0.265)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.406,  -0.348,  -2.640)  ( -1.406,  -0.348,  -2.640)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 44       ( -3.360,  -5.091,  10.354)  ( -3.359,  -5.090,  10.356)  ( 0.02,  0.02,  0.03)
177:     bond    ( -2.735,  -4.743,  12.407)  ( -2.734,  -4.742,  12.410)  ( 0.01,  0.01,  0.02)
177:     angle   (  2.115,   0.037,   0.480)  (  2.115,   0.037,   0.480)  ( 0.02,  0.00,  0.00)
177:     strbnd  ( -0.131,  -0.084,  -0.698)  ( -0.131,  -0.084,  -0.698)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.336,   0.257,   0.024)  ( -0.336,   0.257,   0.024)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.272,  -0.558,  -1.860)  ( -2.272,  -0.558,  -1.860)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 45       (  6.016,   7.613,   2.296)  (  6.018,   7.618,   2.287)  ( 0.03,  0.06,  0.41)
177:     bond    (  9.306,   9.280,   2.085)  (  9.308,   9.282,   2.085)  ( 0.02,  0.02,  0.01)
177:     angle   ( -0.825,   0.781,   0.202)  ( -0.825,   0.782,   0.202)  ( 0.03,  0.02,  0.00)
177:     strbnd  ( -0.536,  -0.577,  -0.147)  ( -0.536,  -0.577,  -0.147)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.003,   0.038,  -0.155)  ( -0.003,   0.038,  -0.155)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.001,  -0.014,   0.060)  (  0.001,  -0.012,   0.050)  ( 0.00,  0.00,  0.06)
177:     vdw     (  0.608,  -1.936,  -0.168)  (  0.608,  -1.936,  -0.168)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.535,   0.041,   0.419)  ( -2.535,   0.041,   0.419)  ( 0.00,  0.00,  0.00)
177: 46       ( -0.787,   8.785,   2.088)  ( -0.787,   8.791,   2.076)  ( 0.06,  0.07,  0.60)
177:     bond    ( -2.236,  11.174,   2.917)  ( -2.236,  11.177,   2.918)  ( 0.01,  0.03,  0.01)
177:     angle   (  7.037,   1.340,   0.260)  (  7.038,   1.340,   0.260)  ( 0.01,  0.00,  0.00)
177:     strbnd  (  0.866,  -2.736,  -0.746)  (  0.866,  -2.736,  -0.746)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.005,  -0.155,   0.595)  (  0.005,  -0.155,   0.596)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.002,  -0.022,   0.087)  (  0.001,  -0.019,   0.074)  ( 0.00,  0.01,  0.11)
177:     vdw     ( -6.676,  -0.740,  -0.917)  ( -6.676,  -0.740,  -0.917)  ( 0.00,  0.00,  0.00)
177:     electro (  0.216,  -0.076,  -0.108)  (  0.216,  -0.076,  -0.108)  ( 0.00,  0.00,  0.00)
177: 47       (  3.539,  -5.729,  -2.999)  (  3.540,  -5.736,  -2.962)  ( 0.03,  0.12,  1.22)
177:     bond    (  3.394, -11.784,  -3.276)  (  3.394, -11.781,  -3.275)  ( 0.01,  0.03,  0.01)
177:     angle   (  2.930,   0.813,   0.113)  (  2.931,   0.813,   0.113)  ( 0.02,  0.00,  0.00)
177:     strbnd  ( -0.210,   2.122,   0.663)  ( -0.210,   2.122,   0.663)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.017,   0.295,  -1.081)  ( -0.017,   0.295,  -1.080)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.001,   0.065,  -0.234)  ( -0.001,   0.055,  -0.198)  ( 0.00,  0.06,  0.85)
177:     vdw     ( -3.105,   0.175,   0.934)  ( -3.105,   0.175,   0.934)  ( 0.01,  0.00,  0.00)
177:     electro (  0.548,   2.584,  -0.118)  (  0.548,   2.584,  -0.118)  ( 0.00,  0.00,  0.00)
177: 48       (-12.816,  -1.854,   2.520)  (-12.814,  -1.854,   2.521)  ( 0.02,  0.04,  0.03)
177:     bond    (-14.576,  -0.381,   3.434)  (-14.573,  -0.381,   3.434)  ( 0.02,  0.00,  0.01)
177:     angle   (  0.009,  -1.112,  -0.086)  (  0.009,  -1.111,  -0.085)  ( 0.00,  0.06,  0.00)
177:     strbnd  (  1.318,  -0.737,  -0.196)  (  1.318,  -0.737,  -0.196)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.019,   0.024,   0.082)  (  0.019,   0.024,   0.082)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.413,   0.351,  -0.714)  (  0.413,   0.351,  -0.714)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 49       (  5.085,   1.582,   9.404)  (  5.086,   1.583,   9.406)  ( 0.02,  0.07,  0.02)
177:     bond    (  5.282,   5.246,   8.963)  (  5.283,   5.247,   8.965)  ( 0.01,  0.01,  0.02)
177:     angle   ( -6.276,   0.410,   3.458)  ( -6.276,   0.410,   3.458)  ( 0.01,  0.02,  0.01)
177:     strbnd  (  0.301,  -0.757,   0.046)  (  0.301,  -0.757,   0.046)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.066,   0.065,   0.001)  ( -0.066,   0.065,   0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.844,  -3.382,  -3.063)  (  5.844,  -3.382,  -3.063)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 50       ( -4.133,  12.029,  -0.342)  ( -4.132,  12.031,  -0.341)  ( 0.02,  0.02,  0.02)
177:     bond    ( -5.002,  12.797,   0.970)  ( -5.002,  12.800,   0.970)  ( 0.01,  0.02,  0.01)
177:     angle   (  0.821,   0.446,  -1.651)  (  0.821,   0.446,  -1.650)  ( 0.03,  0.00,  0.03)
177:     strbnd  (  0.347,  -0.722,  -0.122)  (  0.347,  -0.722,  -0.122)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.174,  -0.064,  -0.056)  ( -0.174,  -0.064,  -0.056)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.125,  -0.429,   0.516)  ( -0.125,  -0.429,   0.516)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 51       ( 12.057,   2.405,  -2.800)  ( 12.060,   2.406,  -2.799)  ( 0.02,  0.02,  0.03)
177:     bond    ( 11.866,   0.949,  -3.585)  ( 11.869,   0.949,  -3.584)  ( 0.02,  0.01,  0.01)
177:     angle   ( -1.377,   2.670,  -3.852)  ( -1.377,   2.670,  -3.852)  ( 0.00,  0.02,  0.01)
177:     strbnd  ( -0.478,  -0.001,   0.072)  ( -0.478,  -0.001,   0.072)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.190,   2.069,   1.178)  (  0.190,   2.069,   1.178)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.856,  -3.282,   3.388)  (  1.856,  -3.282,   3.388)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 52       ( -7.404,  -4.012,  -9.315)  ( -7.403,  -4.011,  -9.313)  ( 0.02,  0.03,  0.02)
177:     bond    ( -6.876,  -6.421, -10.083)  ( -6.875,  -6.420, -10.081)  ( 0.01,  0.01,  0.02)
177:     angle   (  0.750,   1.477,  -1.453)  (  0.750,   1.478,  -1.453)  ( 0.03,  0.03,  0.02)
177:     strbnd  (  0.385,   0.337,   0.420)  (  0.385,   0.337,   0.420)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.909,   1.279,   0.487)  ( -1.909,   1.279,   0.487)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.246,  -0.685,   1.314)  (  0.246,  -0.685,   1.314)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 53       ( 15.405,  -4.653,   1.433)  ( 15.399,  -4.646,   1.450)  ( 0.04,  0.14,  1.21)
177:     bond    (  1.222, -10.271,   1.446)  (  1.222, -10.266,   1.446)  ( 0.00,  0.05,  0.00)
177:     angle   (  5.790,   0.964,   1.949)  (  5.790,   0.964,   1.949)  ( 0.01,  0.00,  0.01)
177:     strbnd  (  0.388,  -1.593,   0.291)  (  0.388,  -1.593,   0.291)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.646,  -0.155,  -1.646)  (  0.647,  -0.155,  -1.645)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.061,  -0.014,  -0.154)  (  0.054,  -0.013,  -0.138)  ( 0.04,  0.00,  0.26)
177:     vdw     (  4.608,   1.041,   2.666)  (  4.609,   1.041,   2.666)  ( 0.00,  0.00,  0.00)
177:     electro (  2.690,   5.376,  -3.118)  (  2.690,   5.375,  -3.118)  ( 0.00,  0.00,  0.00)
177: 54       ( -7.250, -11.027,  -1.781)  ( -7.249, -11.024,  -1.781)  ( 0.01,  0.03,  0.03)
177:     bond    ( -4.260, -12.234,  -0.605)  ( -4.260, -12.231,  -0.605)  ( 0.01,  0.02,  0.00)
177:     angle   ( -3.795,   1.395,  -1.482)  ( -3.795,   1.395,  -1.482)  ( 0.01,  0.01,  0.03)
177:     strbnd  ( -1.388,  -0.259,  -0.495)  ( -1.388,  -0.259,  -0.495)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.002,  -0.000,  -0.006)  (  0.002,  -0.000,  -0.006)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.191,   0.071,   0.806)  (  2.191,   0.071,   0.806)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 55       (-10.238,   6.128,   6.355)  (-10.237,   6.129,   6.357)  ( 0.01,  0.02,  0.02)
177:     bond    ( -7.660,   6.780,   8.104)  ( -7.659,   6.781,   8.105)  ( 0.01,  0.01,  0.01)
177:     angle   ( -3.786,  -2.269,  -1.680)  ( -3.786,  -2.268,  -1.680)  ( 0.01,  0.01,  0.02)
177:     strbnd  ( -1.833,   0.486,   0.087)  ( -1.833,   0.486,   0.087)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.040,   1.129,  -0.155)  (  3.040,   1.129,  -0.155)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 56       ( -3.327,   4.630, -12.310)  ( -3.326,   4.631, -12.307)  ( 0.02,  0.02,  0.02)
177:     bond    ( -0.179,   5.185, -12.000)  ( -0.178,   5.185, -11.998)  ( 0.00,  0.01,  0.02)
177:     angle   ( -3.994,  -2.155,  -0.872)  ( -3.993,  -2.155,  -0.872)  ( 0.01,  0.02,  0.01)
177:     strbnd  ( -1.307,   0.375,  -1.326)  ( -1.307,   0.375,  -1.326)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.002,   0.012,   0.005)  ( -0.002,   0.012,   0.005)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.154,   1.213,   1.884)  (  2.154,   1.213,   1.884)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 57       ( -0.307,  -9.122,  -8.188)  ( -0.306,  -9.120,  -8.187)  ( 0.02,  0.02,  0.02)
177:     bond    (  0.825, -11.920,  -8.291)  (  0.825, -11.918,  -8.290)  ( 0.01,  0.02,  0.01)
177:     angle   (  0.266,   0.885,  -1.246)  (  0.266,   0.885,  -1.246)  ( 0.01,  0.02,  0.03)
177:     strbnd  (  0.564,   0.787,   0.734)  (  0.564,   0.787,   0.734)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.170,  -0.005,   0.024)  (  0.170,  -0.005,   0.024)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.131,   1.130,   0.592)  ( -2.131,   1.130,   0.592)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 58       (  9.212,   6.945,  -1.363)  (  9.214,   6.946,  -1.362)  ( 0.03,  0.02,  0.05)
177:     bond    ( 12.173,   6.773,  -1.368)  ( 12.175,   6.774,  -1.368)  ( 0.02,  0.01,  0.01)
177:     angle   (  0.058,  -0.350,  -1.218)  (  0.058,  -0.349,  -1.217)  ( 0.00,  0.01,  0.04)
177:     strbnd  ( -0.521,  -1.011,   0.065)  ( -0.521,  -1.011,   0.065)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.181,  -0.338,  -0.064)  (  0.181,  -0.338,  -0.064)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.678,   1.870,   1.221)  ( -2.678,   1.870,   1.222)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 59       (-10.799,  -6.712,  -0.430)  (-10.797,  -6.711,  -0.429)  ( 0.02,  0.02,  0.03)
177:     bond    (-12.830,  -7.728,   1.306)  (-12.828,  -7.727,   1.306)  ( 0.02,  0.01,  0.01)
177:     angle   (  0.385,  -0.545,   0.558)  (  0.385,  -0.545,   0.558)  ( 0.01,  0.02,  0.03)
177:     strbnd  (  0.887,   0.269,   0.033)  (  0.887,   0.269,   0.033)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.569,  -0.988,  -0.256)  (  0.569,  -0.988,  -0.256)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.191,   2.279,  -2.071)  (  0.191,   2.279,  -2.071)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 60       (  9.776,  -8.215,   3.975)  (  9.777,  -8.214,   3.976)  ( 0.02,  0.02,  0.02)
177:     bond    ( 11.330,  -9.354,   4.398)  ( 11.332,  -9.353,   4.398)  ( 0.01,  0.01,  0.01)
177:     angle   ( -0.016,   0.054,   0.154)  ( -0.015,   0.054,   0.155)  ( 0.00,  0.00,  0.01)
177:     strbnd  ( -0.988,   0.483,  -0.237)  ( -0.988,   0.483,  -0.237)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.315,  -0.335,   0.099)  ( -0.315,  -0.335,   0.099)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.236,   0.937,  -0.438)  ( -0.236,   0.937,  -0.438)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 61       ( -1.361,  -1.860,  12.613)  ( -1.360,  -1.859,  12.616)  ( 0.04,  0.04,  0.02)
177:     bond    ( -1.242,  -3.974,  13.096)  ( -1.242,  -3.974,  13.099)  ( 0.01,  0.01,  0.02)
177:     angle   ( -0.493,   2.159,   0.609)  ( -0.492,   2.160,   0.609)  ( 0.02,  0.02,  0.00)
177:     strbnd  (  0.058,   0.509,  -0.577)  (  0.058,   0.509,  -0.577)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.242,  -0.008,   0.020)  (  0.242,  -0.008,   0.020)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.075,  -0.546,  -0.535)  (  0.075,  -0.546,  -0.535)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 62       (  9.949,   7.205,  -0.655)  (  9.951,   7.206,  -0.654)  ( 0.02,  0.02,  0.04)
177:     bond    ( 11.359,   7.334,  -1.037)  ( 11.361,   7.335,  -1.037)  ( 0.02,  0.01,  0.01)
177:     angle   ( -0.599,   1.148,   1.564)  ( -0.599,   1.148,   1.564)  ( 0.01,  0.03,  0.03)
177:     strbnd  ( -0.498,  -0.036,   0.239)  ( -0.498,  -0.036,   0.239)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.089,  -0.116,   0.153)  (  0.089,  -0.116,   0.153)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.402,  -1.125,  -1.573)  ( -0.402,  -1.125,  -1.573)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 63       ( -9.227,   7.918,  -3.842)  ( -9.225,   7.919,  -3.841)  ( 0.02,  0.02,  0.02)
177:     bond    (-10.234,   7.920,  -2.677)  (-10.232,   7.921,  -2.677)  ( 0.02,  0.01,  0.01)
177:     angle   (  0.410,   1.448,   2.720)  (  0.410,   1.449,   2.720)  ( 0.01,  0.02,  0.02)
177:     strbnd  (  0.495,  -0.112,   0.334)  (  0.495,  -0.112,   0.334)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.316,  -0.287,   0.358)  ( -0.316,  -0.287,   0.358)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.419,  -1.051,  -4.577)  (  0.419,  -1.051,  -4.577)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 36 # gradients 
179:     strbnd  ( -0.325,   0.488,   0.279)  ( -0.325,   0.488,   0.279)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.294,   0.792,   0.827)  (  1.294,   0.792,   0.827)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.153,  -3.573,  -1.933)  ( -0.153,  -3.573,  -1.933)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 63       ( -0.297,   0.195,   0.097)  ( -0.296,   0.196,   0.100)  ( 0.03,  0.01,  0.03)
179:     bond    (  0.610,   0.315,   1.633)  (  0.610,   0.315,   1.636)  ( 0.02,  0.00,  0.18)
179:     angle   ( -1.418,   1.386,   0.261)  ( -1.418,   1.387,   0.261)  ( 0.03,  0.03,  0.00)
179:     strbnd  ( -0.282,   0.382,   0.365)  ( -0.282,   0.382,   0.365)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.426,   0.990,  -0.350)  (  0.426,   0.990,  -0.350)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.367,  -2.878,  -1.812)  (  0.367,  -2.878,  -1.812)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 64       (  1.903,   0.126,  -0.903)  (  1.903,   0.131,  -0.902)  ( 0.00,  0.07,  0.08)
179:     bond    (  0.052,   0.524,  -0.141)  (  0.052,   0.529,  -0.141)  ( 0.00,  0.27,  0.01)
179:     angle   (  0.150,  -0.836,  -3.088)  (  0.150,  -0.836,  -3.088)  ( 0.00,  0.00,  0.02)
179:     strbnd  ( -0.049,  -0.575,   0.050)  ( -0.049,  -0.575,   0.050)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.430,  -0.034,   0.030)  (  0.430,  -0.034,   0.030)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.052,   1.173,   1.899)  (  0.052,   1.173,   1.900)  ( 0.00,  0.00,  0.00)
179:     electro (  1.267,  -0.125,   0.347)  (  1.267,  -0.125,   0.347)  ( 0.00,  0.00,  0.00)
179: 65       (-13.463,  -0.711,   6.828)  (-13.458,  -0.711,   6.829)  ( 0.04,  0.02,  0.01)
179:     bond    (-17.085,  -2.760,   0.383)  (-17.080,  -2.760,   0.384)  ( 0.03,  0.01,  0.00)
179:     angle   (  0.082,  -0.169,   2.424)  (  0.082,  -0.169,   2.425)  ( 0.00,  0.00,  0.02)
179:     strbnd  (  0.390,   0.135,  -0.958)  (  0.390,   0.135,  -0.958)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.084,   0.524,   0.039)  ( -0.084,   0.524,   0.039)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.216,   1.133,   7.265)  ( -1.216,   1.133,   7.265)  ( 0.00,  0.00,  0.00)
179:     electro (  4.450,   0.427,  -2.326)  (  4.450,   0.427,  -2.326)  ( 0.00,  0.00,  0.00)
179: ok 14 # gradients 
179: ok 15 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       ( -1.742,  28.428,  11.907)  ( -1.764,  28.344,  12.060)  ( 1.23,  0.30,  1.28)
179:     bond    (-17.707,   8.335,   2.191)  (-17.700,   8.340,   2.193)  ( 0.04,  0.06,  0.09)
179:     angle   ( 17.323,  25.618,  18.944)  ( 17.325,  25.620,  18.945)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -1.493,  -7.945,  -5.133)  ( -1.494,  -7.946,  -5.134)  ( 0.06,  0.01,  0.00)
179:     torsion (  0.601,   2.014,  -3.362)  (  0.601,   2.014,  -3.362)  ( 0.00,  0.01,  0.02)
179:     oop     (  0.117,   0.376,  -0.635)  (  0.088,   0.286,  -0.485)  ( 0.35,  3.38,  9.52)
179:     vdw     ( -0.601,  -0.190,  -0.199)  ( -0.601,  -0.190,  -0.199)  ( 0.00,  0.00,  0.00)
179:     electro (  0.018,   0.220,   0.101)  (  0.018,   0.220,   0.101)  ( 0.00,  0.00,  0.00)
179:  2       (-43.349,  -2.957,  -5.099)  (-43.316,  -2.878,  -5.218)  ( 0.08,  2.69,  2.34)
179:     bond    (-26.717,  -2.707,  -7.585)  (-26.711,  -2.702,  -7.583)  ( 0.02,  0.19,  0.02)
179:     angle   (-14.462,  -4.144,  -5.035)  (-14.460,  -4.143,  -5.035)  ( 0.01,  0.04,  0.01)
179:     strbnd  (  0.308,   7.811,   4.693)  (  0.308,   7.811,   4.693)  ( 0.01,  0.01,  0.01)
179:     torsion ( -0.735,  -2.026,   3.413)  ( -0.735,  -2.026,   3.414)  ( 0.00,  0.02,  0.03)
179:     oop     ( -0.154,  -0.448,   0.744)  ( -0.128,  -0.375,   0.621)  ( 0.40,  3.28,  9.11)
179:     vdw     ( -1.663,  -1.307,  -1.215)  ( -1.663,  -1.307,  -1.215)  ( 0.00,  0.00,  0.00)
179:     electro (  0.073,  -0.137,  -0.114)  (  0.073,  -0.137,  -0.114)  ( 0.00,  0.00,  0.00)
179:  3       ( 26.528,  25.489,  14.637)  ( 26.499,  25.389,  14.815)  ( 0.11,  0.39,  1.22)
179:     bond    ( 32.244,   7.181,  11.384)  ( 32.249,   7.186,  11.386)  ( 0.02,  0.06,  0.02)
179:     angle   ( -9.397,   6.895,   4.311)  ( -9.395,   6.897,   4.311)  ( 0.02,  0.02,  0.02)
179:     strbnd  (  5.047,   6.760,   5.135)  (  5.046,   6.759,   5.135)  ( 0.01,  0.01,  0.00)
179:     torsion (  1.173,   3.527,  -5.707)  (  1.173,   3.527,  -5.706)  ( 0.00,  0.01,  0.01)
179:     oop     (  0.194,   0.561,  -0.910)  (  0.158,   0.454,  -0.735)  ( 0.69,  5.96, 15.93)
179:     vdw     ( -2.822,   0.795,   0.719)  ( -2.822,   0.795,   0.719)  ( 0.00,  0.00,  0.00)
179:     electro (  0.089,  -0.229,  -0.294)  (  0.089,  -0.229,  -0.294)  ( 0.00,  0.00,  0.00)
179:  4       ( 30.352,   2.828,   6.301)  ( 30.363,   2.860,   6.551)  ( 0.04,  1.11,  3.98)
179:     bond    ( 44.923,   3.054,  10.850)  ( 44.929,   3.058,  10.852)  ( 0.01,  0.15,  0.02)
179:     angle   (-11.137,   3.853,   1.631)  (-11.135,   3.855,   1.632)  ( 0.02,  0.05,  0.04)
179:     strbnd  ( -0.803,  -4.122,  -2.305)  ( -0.804,  -4.123,  -2.306)  ( 0.08,  0.01,  0.01)
179:     torsion ( -0.049,  -0.229,  -1.535)  ( -0.049,  -0.229,  -1.535)  ( 0.00,  0.01,  0.05)
179:     oop     ( -0.023,  -0.118,  -0.821)  ( -0.020,  -0.093,  -0.574)  ( 0.01,  0.29, 20.32)
179:     vdw     ( -2.511,   0.309,  -1.489)  ( -2.511,   0.309,  -1.489)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.048,   0.082,  -0.029)  ( -0.048,   0.082,  -0.029)  ( 0.00,  0.00,  0.00)
179:  5       ( -7.959, -75.966, -41.392)  ( -7.969, -76.008, -41.306)  ( 0.13,  0.05,  0.21)
179:     bond    (  8.045, -42.089, -24.804)  (  8.052, -42.083, -24.802)  ( 0.09,  0.01,  0.01)
179:     angle   (-16.828, -30.092, -21.409)  (-16.826, -30.090, -21.409)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  5.512,  -1.560,   0.571)  (  5.511,  -1.560,   0.570)  ( 0.02,  0.01,  0.01)
179:     torsion ( -1.167,  -3.866,   6.122)  ( -1.167,  -3.866,   6.123)  ( 0.00,  0.01,  0.01)
179:     oop     (  0.067,   0.201,  -0.328)  (  0.049,   0.152,  -0.246)  ( 0.12,  0.98,  2.70)
179:     vdw     ( -3.591,   1.489,  -1.515)  ( -3.591,   1.489,  -1.515)  ( 0.00,  0.00,  0.00)
179:     electro (  0.003,  -0.050,  -0.029)  (  0.003,  -0.050,  -0.029)  ( 0.00,  0.00,  0.00)
179:  6       (-30.275,  -4.989,  10.254)  (-30.271,  -4.995,   9.731)  ( 0.01,  0.12,  5.10)
179:     bond    (-46.066,  -5.896,   0.687)  (-46.059,  -5.889,   0.688)  ( 0.01,  0.11,  0.01)
179:     angle   ( 11.582,  -5.904,   1.352)  ( 11.584,  -5.902,   1.352)  ( 0.02,  0.04,  0.01)
179:     strbnd  (  1.321,   5.298,   0.111)  (  1.319,   5.297,   0.111)  ( 0.08,  0.01,  0.00)
179:     torsion (  0.044,   1.140,   6.540)  (  0.044,   1.140,   6.541)  ( 0.00,  0.01,  0.02)
179:     oop     ( -0.012,   0.131,   2.561)  ( -0.015,   0.116,   2.037)  ( 0.00,  0.19, 20.47)
179:     vdw     (  2.802,   0.309,  -0.945)  (  2.802,   0.309,  -0.945)  ( 0.00,  0.00,  0.00)
179:     electro (  0.053,  -0.066,  -0.053)  (  0.053,  -0.066,  -0.053)  ( 0.00,  0.00,  0.00)
179:  7       ( 12.681,  86.824, -19.019)  ( 12.702,  86.782, -19.289)  ( 0.17,  0.05,  1.42)
179:     bond    ( -5.030,  48.598,  -6.009)  ( -5.023,  48.605,  -6.009)  ( 0.14,  0.01,  0.00)
179:     angle   ( 20.610,  38.351,  -5.278)  ( 20.612,  38.353,  -5.277)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -7.020,   1.621,  -1.168)  ( -7.021,   1.621,  -1.168)  ( 0.02,  0.02,  0.01)
179:     torsion (  0.098,  -1.110,  -6.501)  (  0.098,  -1.110,  -6.500)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.002,   0.211,   1.179)  (  0.015,   0.160,   0.909)  ( 0.00,  1.08, 22.95)
179:     vdw     (  4.021,  -0.905,  -1.238)  (  4.021,  -0.905,  -1.238)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.001,   0.057,  -0.004)  ( -0.001,   0.057,  -0.004)  ( 0.00,  0.00,  0.00)
179:  8       ( -0.291, -31.753,   6.515)  ( -0.281, -31.746,   6.468)  ( 0.30,  0.02,  0.71)
179:     bond    ( 17.320,  -9.193,   0.193)  ( 17.327,  -9.187,   0.193)  ( 0.04,  0.07,  0.00)
179:     angle   (-21.343, -31.556,   3.930)  (-21.342, -31.553,   3.930)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  3.117,   8.773,  -0.540)  (  3.116,   8.771,  -0.540)  ( 0.03,  0.01,  0.00)
179:     torsion (  0.062,   0.254,   3.026)  (  0.062,   0.254,   3.027)  ( 0.00,  0.00,  0.04)
179:     oop     ( -0.019,  -0.027,  -0.085)  ( -0.016,  -0.028,  -0.132)  ( 0.00,  0.00,  0.40)
179:     vdw     (  0.599,   0.238,  -0.003)  (  0.599,   0.238,  -0.003)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.028,  -0.242,  -0.006)  ( -0.028,  -0.242,  -0.006)  ( 0.00,  0.00,  0.00)
179:  9       ( 44.982,   3.387,   2.990)  ( 44.985,   3.386,   2.902)  ( 0.01,  0.03,  2.94)
179:     bond    ( 27.504,   4.642,  -1.536)  ( 27.511,   4.648,  -1.536)  ( 0.02,  0.14,  0.00)
179:     angle   ( 15.991,   5.308,  -0.805)  ( 15.993,   5.309,  -0.804)  ( 0.01,  0.04,  0.01)
179:     strbnd  ( -0.547,  -8.870,   0.817)  ( -0.547,  -8.870,   0.817)  ( 0.03,  0.01,  0.00)
179:     torsion (  0.167,   0.437,   4.249)  (  0.167,   0.437,   4.250)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.027,   0.073,   0.647)  (  0.022,   0.064,   0.558)  ( 0.01,  0.07,  5.77)
179:     vdw     (  1.899,   1.622,  -0.325)  (  1.899,   1.622,  -0.325)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.060,   0.176,  -0.057)  ( -0.060,   0.176,  -0.057)  ( 0.00,  0.00,  0.00)
179: 10       (-30.774, -26.770,  -2.379)  (-30.760, -26.705,  -1.847)  ( 0.04,  0.25, 22.36)
179:     bond    (-33.338, -10.219,   2.044)  (-33.333, -10.213,   2.044)  ( 0.02,  0.06,  0.00)
179:     angle   (  5.728,  -6.663,   4.844)  (  5.730,  -6.662,   4.844)  ( 0.04,  0.03,  0.01)
179:     strbnd  ( -5.454,  -7.832,   0.921)  ( -5.455,  -7.833,   0.921)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.215,  -0.970,  -8.075)  ( -0.215,  -0.970,  -8.074)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.036,  -0.302,  -2.716)  ( -0.029,  -0.244,  -2.185)  ( 0.02,  1.75, 19.54)
179:     vdw     (  2.593,  -1.118,   0.786)  (  2.593,  -1.118,   0.786)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.051,   0.334,  -0.183)  ( -0.051,   0.334,  -0.183)  ( 0.00,  0.00,  0.00)
179: 11       (-26.667, -22.028,   3.570)  (-26.663, -22.040,   3.403)  ( 0.01,  0.05,  4.70)
179:     bond    ( -1.917,  -0.727,  -0.074)  ( -1.913,  -0.722,  -0.070)  ( 0.20,  0.32,  0.03)
179:     angle   (-29.136, -26.052,   2.735)  (-29.134, -26.050,   2.736)  ( 0.01,  0.01,  0.05)
179:     strbnd  (  4.010,   7.688,  -1.200)  (  4.009,   7.687,  -1.200)  ( 0.01,  0.02,  0.04)
179:     torsion (  0.015,   0.059,   0.642)  (  0.015,   0.059,   0.642)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.009,   0.064,   0.656)  (  0.007,   0.046,   0.483)  ( 0.00,  0.11, 11.35)
179:     vdw     (  0.354,  -2.969,   0.608)  (  0.354,  -2.969,   0.608)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.002,  -0.091,   0.203)  ( -0.002,  -0.091,   0.203)  ( 0.00,  0.00,  0.00)
179: 12       ( -2.870,   3.726,  -2.257)  ( -2.866,   3.733,  -2.186)  ( 0.13,  0.18,  3.13)
179:     bond    ( -1.203,  -0.681,   0.064)  ( -1.200,  -0.680,   0.064)  ( 0.25,  0.07,  0.00)
179:     angle   ( -3.337,   5.858,  -0.289)  ( -3.337,   5.858,  -0.289)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  0.884,  -1.534,   0.070)  (  0.884,  -1.534,   0.070)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.026,  -0.127,  -1.856)  ( -0.026,  -0.127,  -1.856)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.003,  -0.017,  -0.242)  ( -0.002,  -0.012,  -0.171)  ( 0.00,  0.01,  1.70)
179:     vdw     (  0.644,   0.265,  -0.021)  (  0.644,   0.265,  -0.021)  ( 0.00,  0.00,  0.00)
179:     electro (  0.172,  -0.037,   0.018)  (  0.172,  -0.037,   0.018)  ( 0.00,  0.00,  0.00)
179: 13       ( -3.039,  -3.637,  -0.645)  ( -3.036,  -3.632,  -0.621)  ( 0.10,  0.13,  1.57)
179:     bond    ( -1.376,   1.267,  -0.103)  ( -1.374,   1.269,  -0.103)  ( 0.15,  0.14,  0.00)
179:     angle   ( -4.815,  -5.170,   0.545)  ( -4.815,  -5.170,   0.545)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  1.880,   0.883,  -0.174)  (  1.880,   0.883,  -0.174)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.019,  -0.089,  -0.837)  ( -0.019,  -0.089,  -0.837)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.002,  -0.010,  -0.098)  ( -0.002,  -0.008,  -0.074)  ( 0.00,  0.00,  0.23)
179:     vdw     (  1.159,  -0.292,  -0.017)  (  1.159,  -0.292,  -0.017)  ( 0.00,  0.00,  0.00)
179:     electro (  0.134,  -0.226,   0.039)  (  0.134,  -0.226,   0.039)  ( 0.00,  0.00,  0.00)
179: 14       ( 26.477,  19.962,  14.448)  ( 26.502,  20.025,  14.358)  ( 0.09,  0.32,  0.62)
179:     bond    (  2.000,   0.807,   0.393)  (  2.004,   0.812,   0.397)  ( 0.19,  0.36,  0.17)
179:     angle   ( 29.017,  24.625,  15.667)  ( 29.019,  24.627,  15.669)  ( 0.01,  0.01,  0.01)
179:     strbnd  ( -3.684,  -7.464,  -4.429)  ( -3.685,  -7.465,  -4.430)  ( 0.02,  0.01,  0.02)
179:     torsion ( -0.089,  -0.284,   0.463)  ( -0.089,  -0.284,   0.463)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.074,  -0.220,   0.362)  ( -0.055,  -0.162,   0.267)  ( 0.14,  1.28,  3.46)
179:     vdw     ( -0.663,   2.502,   1.775)  ( -0.663,   2.502,   1.775)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.030,  -0.005,   0.217)  ( -0.030,  -0.005,   0.217)  ( 0.00,  0.00,  0.00)
179: 15       (  3.238,  -4.313,  -1.243)  (  3.260,  -4.253,  -1.338)  ( 0.67,  1.38,  7.68)
179:     bond    (  1.169,   0.545,   0.557)  (  1.172,   0.545,   0.558)  ( 0.23,  0.03,  0.03)
179:     angle   (  3.953,  -5.603,  -2.827)  (  3.953,  -5.602,  -2.827)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -0.998,   1.310,   0.666)  ( -0.998,   1.310,   0.666)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.049,  -0.169,   0.268)  ( -0.049,  -0.169,   0.269)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.064,  -0.204,   0.334)  ( -0.045,  -0.145,   0.237)  ( 0.12,  1.19,  3.22)
179:     vdw     ( -0.604,  -0.224,  -0.242)  ( -0.604,  -0.224,  -0.242)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.168,   0.032,   0.001)  ( -0.168,   0.032,   0.001)  ( 0.00,  0.00,  0.00)
179: 16       (  2.827,   3.165,   1.873)  (  2.825,   3.154,   1.894)  ( 0.07,  0.35,  1.16)
179:     bond    (  1.377,  -1.119,  -0.400)  (  1.379,  -1.118,  -0.400)  ( 0.16,  0.13,  0.01)
179:     angle   (  4.447,   4.280,   3.375)  (  4.447,   4.280,   3.375)  ( 0.01,  0.01,  0.01)
179:     strbnd  ( -1.774,  -0.686,  -0.825)  ( -1.774,  -0.686,  -0.825)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.054,   0.148,  -0.229)  (  0.054,   0.148,  -0.229)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.018,   0.053,  -0.087)  (  0.013,   0.040,  -0.065)  ( 0.01,  0.07,  0.18)
179:     vdw     ( -1.150,   0.297,  -0.072)  ( -1.149,   0.297,  -0.072)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.145,   0.192,   0.110)  ( -0.145,   0.192,   0.110)  ( 0.00,  0.00,  0.00)
179: 17       ( 10.855,  29.221,  17.768)  ( 10.869,  29.262,  17.706)  ( 0.13,  0.14,  0.35)
179:     bond    ( -3.169,  26.110,  15.008)  ( -3.169,  26.113,  15.009)  ( 0.01,  0.01,  0.01)
179:     angle   ( 14.067,   0.347,   2.366)  ( 14.068,   0.347,   2.366)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.226,   2.694,   1.435)  ( -0.226,   2.694,   1.435)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.187,   0.538,  -0.897)  (  0.187,   0.538,  -0.897)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.055,  -0.172,   0.287)  ( -0.042,  -0.134,   0.224)  ( 0.07,  0.65,  1.81)
179:     vdw     ( -0.563,  -0.467,  -0.562)  ( -0.563,  -0.467,  -0.562)  ( 0.00,  0.00,  0.00)
179:     electro (  0.615,   0.171,   0.131)  (  0.615,   0.171,   0.131)  ( 0.00,  0.00,  0.00)
179: 18       (-14.723, -32.439,  10.525)  (-14.730, -32.402,  10.710)  ( 0.05,  0.11,  1.75)
179:     bond    (  1.321, -29.709,   5.246)  (  1.321, -29.705,   5.247)  ( 0.01,  0.01,  0.01)
179:     angle   (-16.050,  -0.489,   1.274)  (-16.050,  -0.489,   1.274)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  0.072,  -3.233,   0.861)  (  0.072,  -3.233,   0.861)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.052,   0.751,   4.265)  ( -0.052,   0.751,   4.266)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.009,  -0.150,  -0.851)  (  0.001,  -0.118,  -0.667)  ( 0.01,  0.48, 15.66)
179:     vdw     (  0.603,   0.572,  -0.221)  (  0.603,   0.572,  -0.221)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.625,  -0.180,  -0.050)  ( -0.625,  -0.180,  -0.050)  ( 0.00,  0.00,  0.00)
179: 19       ( -9.549, -16.055,  -9.499)  ( -9.547, -16.054,  -9.498)  ( 0.02,  0.01,  0.01)
179:     bond    (  6.549,  -6.489,  -5.236)  (  6.550,  -6.488,  -5.235)  ( 0.02,  0.02,  0.02)
179:     angle   (-15.891, -11.333,  -5.837)  (-15.890, -11.333,  -5.837)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -1.046,   0.503,   0.436)  ( -1.046,   0.503,   0.436)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.839,   1.264,   1.139)  (  0.839,   1.264,   1.139)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       ( -6.872,  -6.628,  -8.449)  ( -6.870,  -6.627,  -8.448)  ( 0.02,  0.01,  0.02)
179:     bond    ( -7.287,   3.445,  -8.054)  ( -7.286,   3.445,  -8.052)  ( 0.02,  0.01,  0.02)
179:     angle   ( -1.156, -10.327,  -3.372)  ( -1.156, -10.326,  -3.372)  ( 0.02,  0.01,  0.01)
179:     strbnd  (  1.415,  -1.060,   1.430)  (  1.415,  -1.060,   1.430)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.156,   1.313,   1.547)  (  0.156,   1.313,   1.547)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       ( -5.154, -11.419,  -3.897)  ( -5.153, -11.418,  -3.895)  ( 0.02,  0.01,  0.04)
179:     bond    ( -5.951,  -7.142,   6.246)  ( -5.950,  -7.141,   6.247)  ( 0.02,  0.02,  0.02)
179:     angle   ( -0.744,  -6.990,  -8.698)  ( -0.743,  -6.990,  -8.698)  ( 0.02,  0.00,  0.01)
179:     strbnd  (  1.377,   1.441,  -1.809)  (  1.377,   1.441,  -1.809)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.163,   1.273,   0.365)  (  0.163,   1.273,   0.365)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (  6.707,  14.950,  -4.095)  (  6.709,  14.951,  -4.094)  ( 0.04,  0.00,  0.03)
179:     bond    ( 10.180,   0.038,  -5.182)  ( 10.183,   0.038,  -5.181)  ( 0.02,  0.00,  0.01)
179:     angle   ( -0.643,  16.864,  -1.139)  ( -0.642,  16.864,  -1.139)  ( 0.01,  0.00,  0.03)
179:     strbnd  ( -2.565,   0.430,   1.327)  ( -2.565,   0.430,   1.327)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.266,  -2.382,   0.899)  ( -0.266,  -2.382,   0.899)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       (  7.712,   7.044,   4.929)  (  7.712,   7.045,   4.931)  ( 0.01,  0.01,  0.05)
179:     bond    (  2.115,   4.636,   9.930)  (  2.115,   4.637,   9.932)  ( 0.01,  0.01,  0.02)
179:     angle   (  6.274,   3.725,  -3.075)  (  6.274,   3.725,  -3.075)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -0.199,  -0.342,  -1.642)  ( -0.199,  -0.342,  -1.642)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.477,  -0.975,  -0.284)  ( -0.477,  -0.975,  -0.284)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       ( 10.798,  13.827,  -7.791)  ( 10.799,  13.829,  -7.790)  ( 0.01,  0.01,  0.02)
179:     bond    ( -5.076,   7.231,  -5.839)  ( -5.075,   7.232,  -5.838)  ( 0.01,  0.02,  0.02)
179:     angle   ( 15.920,   8.574,  -3.218)  ( 15.920,   8.575,  -3.218)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  0.876,  -0.556,   0.755)  (  0.876,  -0.556,   0.755)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.922,  -1.422,   0.511)  ( -0.922,  -1.422,   0.511)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 16 # gradients 
179: ok 17 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       ( 75.919,  23.900,  -8.357)  ( 75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
179:     bond    ( 43.256,   7.487, -14.578)  ( 43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
179:     angle   ( -0.077,   0.026,  -0.013)  ( -0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 27.650,   7.696,  -4.671)  ( 27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
179:     torsion ( -0.018,   0.018,   0.030)  ( -0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.004,   0.006,   0.012)  ( -0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.113,   8.667,  10.865)  (  5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       ( -0.007,  70.694, -37.613)  (  0.000,  70.701, -37.611)  ( 0.00,  0.01,  0.01)
179:     bond    ( -0.003,  34.123, -31.161)  (  0.000,  34.128, -31.160)  ( 0.00,  0.01,  0.00)
179:     angle   ( -0.002,   0.021,  -0.051)  (  0.000,   0.022,  -0.051)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -0.001,  24.741, -15.277)  (  0.000,  24.742, -15.276)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.007,  -0.022)  ( -0.000,  -0.006,  -0.021)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.005,  -0.010)  ( -0.000,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000,  11.821,   8.908)  (  0.000,  11.821,   8.908)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       ( -0.007, -70.710, -37.613)  (  0.000, -70.701, -37.611)  ( 0.00,  0.01,  0.01)
179:     bond    ( -0.003, -34.133, -31.161)  (  0.000, -34.128, -31.160)  ( 0.00,  0.01,  0.00)
179:     angle   ( -0.002,  -0.024,  -0.051)  (  0.000,  -0.022,  -0.051)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -0.001, -24.743, -15.277)  (  0.000, -24.742, -15.276)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.006,  -0.022)  (  0.000,   0.006,  -0.021)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   0.005,  -0.010)  (  0.000,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000, -11.821,   8.908)  ( -0.000, -11.821,   8.908)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       ( 75.919, -23.913,  -8.357)  ( 75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
179:     bond    ( 43.256,  -7.494, -14.578)  ( 43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
179:     angle   ( -0.077,  -0.029,  -0.013)  ( -0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 27.650,  -7.698,  -4.671)  ( 27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
179:     torsion ( -0.018,  -0.018,   0.030)  ( -0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.004,  -0.006,   0.012)  ( -0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.113,  -8.667,  10.865)  (  5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (-38.554,  47.292, -52.215)  (-38.549,  47.297, -52.209)  ( 0.01,  0.01,  0.01)
179:     bond    (-12.136,  26.876, -35.755)  (-12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
179:     angle   ( -0.007,   0.078,   0.012)  ( -0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
179:     strbnd  (-12.414,  17.157, -20.001)  (-12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.017,   0.014,  -0.020)  (  0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.005,   0.002,  -0.006)  (  0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-14.019,   3.164,   3.556)  (-14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (-38.554, -47.306, -52.215)  (-38.549, -47.297, -52.209)  ( 0.01,  0.02,  0.01)
179:     bond    (-12.136, -26.884, -35.755)  (-12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
179:     angle   ( -0.007,  -0.081,   0.012)  ( -0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
179:     strbnd  (-12.414, -17.160, -20.001)  (-12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.017,  -0.014,  -0.020)  (  0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.005,  -0.002,  -0.006)  (  0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-14.019,  -3.165,   3.556)  (-14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       (-75.934,  23.900,  -8.357)  (-75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
179:     bond    (-43.264,   7.487, -14.578)  (-43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
179:     angle   (  0.075,   0.026,  -0.013)  (  0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
179:     strbnd  (-27.652,   7.696,  -4.671)  (-27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.017,   0.018,   0.030)  (  0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.004,   0.006,   0.012)  (  0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.113,   8.667,  10.865)  ( -5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       (-75.934, -23.913,  -8.357)  (-75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
179:     bond    (-43.264,  -7.494, -14.578)  (-43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
179:     angle   (  0.075,  -0.029,  -0.013)  (  0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
179:     strbnd  (-27.652,  -7.698,  -4.671)  (-27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.017,  -0.018,   0.030)  (  0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.004,  -0.006,   0.012)  (  0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.113,  -8.667,  10.865)  ( -5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       ( 47.292,  52.205,  38.542)  ( 47.297,  52.209,  38.549)  ( 0.01,  0.01,  0.02)
179:     bond    ( 26.876,  35.751,  12.130)  ( 26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
179:     angle   (  0.078,  -0.014,   0.005)  (  0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 17.157,  20.000,  12.412)  ( 17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.014,   0.019,  -0.017)  (  0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.002,   0.006,  -0.006)  (  0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.164,  -3.556,  14.019)  (  3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (  8.348,  75.919,  23.900)  (  8.353,  75.928,  23.905)  ( 0.06,  0.01,  0.02)
179:     bond    ( 14.575,  43.256,   7.487)  ( 14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
179:     angle   (  0.011,  -0.077,   0.026)  (  0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  4.670,  27.650,   7.696)  (  4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.031,  -0.018,   0.018)  ( -0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.012,  -0.004,   0.006)  ( -0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.865,   5.113,   8.667)  (-10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       (  8.348, -75.934,  23.900)  (  8.353, -75.928,  23.905)  ( 0.06,  0.01,  0.02)
179:     bond    ( 14.575, -43.264,   7.487)  ( 14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
179:     angle   (  0.011,   0.075,   0.026)  (  0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  4.670, -27.652,   7.696)  (  4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.031,   0.017,   0.018)  ( -0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.012,   0.004,   0.006)  ( -0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.865,  -5.113,   8.667)  (-10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       ( 47.292, -52.215,  38.542)  ( 47.297, -52.209,  38.549)  ( 0.01,  0.01,  0.02)
179:     bond    ( 26.876, -35.755,  12.130)  ( 26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
179:     angle   (  0.078,   0.012,   0.005)  (  0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 17.157, -20.001,  12.412)  ( 17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.014,  -0.020,  -0.017)  (  0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.002,  -0.006,  -0.006)  (  0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.164,   3.556,  14.019)  (  3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       ( 52.205, -38.554, -47.306)  ( 52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
179:     bond    ( 35.751, -12.136, -26.884)  ( 35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
179:     angle   ( -0.014,  -0.007,  -0.081)  ( -0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( 20.000, -12.414, -17.160)  ( 20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.019,   0.017,  -0.014)  (  0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,   0.005,  -0.002)  (  0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.556, -14.019,  -3.165)  ( -3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       (-23.913,   8.348, -75.934)  (-23.905,   8.353, -75.928)  ( 0.03,  0.06,  0.01)
179:     bond    ( -7.494,  14.575, -43.264)  ( -7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
179:     angle   ( -0.029,   0.011,   0.075)  ( -0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -7.698,   4.670, -27.652)  ( -7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.018,  -0.031,   0.017)  ( -0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,  -0.012,   0.004)  ( -0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.667, -10.865,  -5.113)  ( -8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       ( 52.205, -38.554,  47.292)  ( 52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
179:     bond    ( 35.751, -12.136,  26.876)  ( 35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
179:     angle   ( -0.014,  -0.007,   0.078)  ( -0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( 20.000, -12.414,  17.157)  ( 20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.019,   0.017,   0.014)  (  0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,   0.005,   0.002)  (  0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.556, -14.019,   3.164)  ( -3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       (-70.710,  37.607,  -0.007)  (-70.701,  37.611,  -0.000)  ( 0.01,  0.01,  0.00)
179:     bond    (-34.133,  31.159,  -0.003)  (-34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
179:     angle   ( -0.024,   0.050,  -0.002)  ( -0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-24.743,  15.275,  -0.001)  (-24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.006,   0.020,  -0.000)  (  0.006,   0.021,  -0.000)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.005,   0.010,  -0.000)  (  0.005,   0.011,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-11.821,  -8.908,  -0.000)  (-11.821,  -8.908,  -0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       ( 38.542, -47.306, -52.215)  ( 38.549, -47.297, -52.209)  ( 0.02,  0.02,  0.01)
179:     bond    ( 12.130, -26.884, -35.755)  ( 12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
179:     angle   (  0.005,  -0.081,   0.012)  (  0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( 12.412, -17.160, -20.001)  ( 12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.017,  -0.014,  -0.020)  ( -0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,  -0.002,  -0.006)  ( -0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 14.019,  -3.165,   3.556)  ( 14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       (-47.306,  52.205,  38.542)  (-47.297,  52.209,  38.549)  ( 0.02,  0.01,  0.02)
179:     bond    (-26.884,  35.751,  12.130)  (-26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
179:     angle   ( -0.081,  -0.014,   0.005)  ( -0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
179:     strbnd  (-17.160,  20.000,  12.412)  (-17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.014,   0.019,  -0.017)  ( -0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.002,   0.006,  -0.006)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.165,  -3.556,  14.019)  ( -3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       (-23.913,   8.348,  75.919)  (-23.905,   8.353,  75.928)  ( 0.03,  0.06,  0.01)
179:     bond    ( -7.494,  14.575,  43.256)  ( -7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
179:     angle   ( -0.029,   0.011,  -0.077)  ( -0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -7.698,   4.670,  27.650)  ( -7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.018,  -0.031,  -0.018)  ( -0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,  -0.012,  -0.004)  ( -0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.667, -10.865,   5.113)  ( -8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       ( 23.900,   8.348, -75.934)  ( 23.905,   8.353, -75.928)  ( 0.02,  0.06,  0.01)
179:     bond    (  7.487,  14.575, -43.264)  (  7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
179:     angle   (  0.026,   0.011,   0.075)  (  0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  7.696,   4.670, -27.652)  (  7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.018,  -0.031,   0.017)  (  0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,  -0.012,   0.004)  (  0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.667, -10.865,  -5.113)  (  8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       ( 38.542,  47.292, -52.215)  ( 38.549,  47.297, -52.209)  ( 0.02,  0.01,  0.01)
179:     bond    ( 12.130,  26.876, -35.755)  ( 12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
179:     angle   (  0.005,   0.078,   0.012)  (  0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( 12.412,  17.157, -20.001)  ( 12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.017,   0.014,  -0.020)  ( -0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,   0.002,  -0.006)  ( -0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 14.019,   3.164,   3.556)  ( 14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       ( 37.607,  -0.007,  70.694)  ( 37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
179:     bond    ( 31.159,  -0.003,  34.123)  ( 31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
179:     angle   (  0.050,  -0.002,   0.021)  (  0.051,   0.000,   0.022)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( 15.275,  -0.001,  24.741)  ( 15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.020,  -0.000,  -0.007)  (  0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.010,  -0.000,  -0.005)  (  0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.908,  -0.000,  11.821)  ( -8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( 52.205,  38.542, -47.306)  ( 52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
179:     bond    ( 35.751,  12.130, -26.884)  ( 35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
179:     angle   ( -0.014,   0.005,  -0.081)  ( -0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( 20.000,  12.412, -17.160)  ( 20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.019,  -0.017,  -0.014)  (  0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,  -0.006,  -0.002)  (  0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.556,  14.019,  -3.165)  ( -3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       ( -8.357, -75.934,  23.900)  ( -8.353, -75.928,  23.905)  ( 0.04,  0.01,  0.02)
179:     bond    (-14.578, -43.264,   7.487)  (-14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
179:     angle   ( -0.013,   0.075,   0.026)  ( -0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -4.671, -27.652,   7.696)  ( -4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.030,   0.017,   0.018)  (  0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.012,   0.004,   0.006)  (  0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.865,  -5.113,   8.667)  ( 10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       (-23.913,  -8.357, -75.934)  (-23.905,  -8.353, -75.928)  ( 0.03,  0.04,  0.01)
179:     bond    ( -7.494, -14.578, -43.264)  ( -7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
179:     angle   ( -0.029,  -0.013,   0.075)  ( -0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -7.698,  -4.671, -27.652)  ( -7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.018,   0.030,   0.017)  ( -0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,   0.012,   0.004)  ( -0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.667,  10.865,  -5.113)  ( -8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       (-47.306, -52.215,  38.542)  (-47.297, -52.209,  38.549)  ( 0.02,  0.01,  0.02)
179:     bond    (-26.884, -35.755,  12.130)  (-26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
179:     angle   ( -0.081,   0.012,   0.005)  ( -0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
179:     strbnd  (-17.160, -20.001,  12.412)  (-17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.014,  -0.020,  -0.017)  ( -0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.002,  -0.006,  -0.006)  ( -0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.165,   3.556,  14.019)  ( -3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       ( 52.205,  38.542,  47.292)  ( 52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
179:     bond    ( 35.751,  12.130,  26.876)  ( 35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
179:     angle   ( -0.014,   0.005,   0.078)  ( -0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( 20.000,  12.412,  17.157)  ( 20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.019,  -0.017,   0.014)  (  0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,  -0.006,   0.002)  (  0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.556,  14.019,   3.164)  ( -3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       (-70.710, -37.613,  -0.007)  (-70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
179:     bond    (-34.133, -31.161,  -0.003)  (-34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
179:     angle   ( -0.024,  -0.051,  -0.002)  ( -0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-24.743, -15.277,  -0.001)  (-24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.006,  -0.022,  -0.000)  (  0.006,  -0.021,  -0.000)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.005,  -0.010,  -0.000)  (  0.005,  -0.011,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-11.821,   8.908,  -0.000)  (-11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       ( 23.900,  -8.357, -75.934)  ( 23.905,  -8.353, -75.928)  ( 0.02,  0.04,  0.01)
179:     bond    (  7.487, -14.578, -43.264)  (  7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
179:     angle   (  0.026,  -0.013,   0.075)  (  0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  7.696,  -4.671, -27.652)  (  7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.018,   0.030,   0.017)  (  0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,   0.012,   0.004)  (  0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.667,  10.865,  -5.113)  (  8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       ( 70.694,  37.607,  -0.007)  ( 70.701,  37.611,   0.000)  ( 0.01,  0.01,  0.00)
179:     bond    ( 34.123,  31.159,  -0.003)  ( 34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
179:     angle   (  0.021,   0.050,  -0.002)  (  0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( 24.741,  15.275,  -0.001)  ( 24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.007,   0.020,  -0.000)  ( -0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.005,   0.010,  -0.000)  ( -0.005,   0.011,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 11.821,  -8.908,  -0.000)  ( 11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       ( 37.607,  -0.007, -70.710)  ( 37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
179:     bond    ( 31.159,  -0.003, -34.133)  ( 31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
179:     angle   (  0.050,  -0.002,  -0.024)  (  0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( 15.275,  -0.001, -24.743)  ( 15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.020,  -0.000,   0.006)  (  0.021,  -0.000,   0.006)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.010,  -0.000,   0.005)  (  0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.908,  -0.000, -11.821)  ( -8.908,   0.000, -11.821)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       ( -8.357,  75.919,  23.900)  ( -8.353,  75.928,  23.905)  ( 0.04,  0.01,  0.02)
179:     bond    (-14.578,  43.256,   7.487)  (-14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
179:     angle   ( -0.013,  -0.077,   0.026)  ( -0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -4.671,  27.650,   7.696)  ( -4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.030,  -0.018,   0.018)  (  0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.012,  -0.004,   0.006)  (  0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.865,   5.113,   8.667)  ( 10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       (-23.913,  -8.357,  75.919)  (-23.905,  -8.353,  75.928)  ( 0.03,  0.04,  0.01)
179:     bond    ( -7.494, -14.578,  43.256)  ( -7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
179:     angle   ( -0.029,  -0.013,  -0.077)  ( -0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -7.698,  -4.671,  27.650)  ( -7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.018,   0.030,  -0.018)  ( -0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,   0.012,  -0.004)  ( -0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.667,  10.865,   5.113)  ( -8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       ( 70.694, -37.613,  -0.007)  ( 70.701, -37.611,   0.000)  ( 0.01,  0.01,  0.00)
179:     bond    ( 34.123, -31.161,  -0.003)  ( 34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
179:     angle   (  0.021,  -0.051,  -0.002)  (  0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( 24.741, -15.277,  -0.001)  ( 24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.007,  -0.022,  -0.000)  ( -0.006,  -0.021,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.005,  -0.010,  -0.000)  ( -0.005,  -0.011,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 11.821,   8.908,  -0.000)  ( 11.821,   8.908,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       (-52.215,  38.542, -47.306)  (-52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
179:     bond    (-35.755,  12.130, -26.884)  (-35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
179:     angle   (  0.012,   0.005,  -0.081)  (  0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  (-20.001,  12.412, -17.160)  (-20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
179:     torsion ( -0.020,  -0.017,  -0.014)  ( -0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,  -0.006,  -0.002)  ( -0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.556,  14.019,  -3.165)  (  3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       (-52.215,  38.542,  47.292)  (-52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
179:     bond    (-35.755,  12.130,  26.876)  (-35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
179:     angle   (  0.012,   0.005,   0.078)  (  0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  (-20.001,  12.412,  17.157)  (-20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
179:     torsion ( -0.020,  -0.017,   0.014)  ( -0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,  -0.006,   0.002)  ( -0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.556,  14.019,   3.164)  (  3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       (-37.613,  -0.007,  70.694)  (-37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
179:     bond    (-31.161,  -0.003,  34.123)  (-31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
179:     angle   ( -0.051,  -0.002,   0.021)  ( -0.051,  -0.000,   0.022)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-15.277,  -0.001,  24.741)  (-15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.022,  -0.000,  -0.007)  ( -0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.010,  -0.000,  -0.005)  ( -0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.908,  -0.000,  11.821)  (  8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 38       (-52.215, -38.554, -47.306)  (-52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
179:     bond    (-35.755, -12.136, -26.884)  (-35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
179:     angle   (  0.012,  -0.007,  -0.081)  (  0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  (-20.001, -12.414, -17.160)  (-20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
179:     torsion ( -0.020,   0.017,  -0.014)  ( -0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,   0.005,  -0.002)  ( -0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.556, -14.019,  -3.165)  (  3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 39       (-52.215, -38.554,  47.292)  (-52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
179:     bond    (-35.755, -12.136,  26.876)  (-35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
179:     angle   (  0.012,  -0.007,   0.078)  (  0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  (-20.001, -12.414,  17.157)  (-20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
179:     torsion ( -0.020,   0.017,   0.014)  ( -0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,   0.005,   0.002)  ( -0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.556, -14.019,   3.164)  (  3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 40       ( 23.900,  -8.357,  75.919)  ( 23.905,  -8.353,  75.928)  ( 0.02,  0.04,  0.01)
179:     bond    (  7.487, -14.578,  43.256)  (  7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
179:     angle   (  0.026,  -0.013,  -0.077)  (  0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  7.696,  -4.671,  27.650)  (  7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.018,   0.030,  -0.018)  (  0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,   0.012,  -0.004)  (  0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.667,  10.865,   5.113)  (  8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 41       (-54.913, -35.524, -24.139)  (-54.905, -35.518, -24.134)  ( 0.02,  0.02,  0.02)
179:     bond    (-26.884, -35.755, -12.136)  (-26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
179:     angle   (  8.310,   2.328,   1.428)  (  8.312,   2.330,   1.429)  ( 0.02,  0.05,  0.09)
179:     strbnd  (-33.157,  -3.794,  -2.400)  (-33.157,  -3.793,  -2.399)  ( 0.00,  0.02,  0.04)
179:     torsion ( -0.015,  -1.854,   2.983)  ( -0.015,  -1.853,   2.983)  ( 0.00,  0.03,  0.01)
179:     oop     ( -0.002,  -0.006,   0.005)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.165,   3.556, -14.019)  ( -3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 42       (  3.504,  53.443,  17.121)  (  3.509,  53.448,  17.126)  ( 0.15,  0.01,  0.02)
179:     bond    (-12.452,  26.530,  26.356)  (-12.448,  26.533,  26.357)  ( 0.04,  0.01,  0.01)
179:     angle   ( -9.977,  -5.385,  -2.072)  ( -9.975,  -5.383,  -2.071)  ( 0.02,  0.04,  0.05)
179:     strbnd  ( 29.601,  21.773,  10.437)  ( 29.601,  21.772,  10.438)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.442,   1.853,  -6.723)  (  1.442,   1.853,  -6.722)  ( 0.02,  0.02,  0.01)
179:     oop     (  0.004,   0.006,  -0.012)  (  0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.113,   8.667, -10.865)  ( -5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 43       ( 47.292, -52.215, -38.554)  ( 47.297, -52.209, -38.549)  ( 0.01,  0.01,  0.01)
179:     bond    ( 26.876, -35.755, -12.136)  ( 26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
179:     angle   (  0.078,   0.012,  -0.007)  (  0.079,   0.013,  -0.006)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 17.157, -20.001, -12.414)  ( 17.159, -20.000, -12.413)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.014,  -0.020,   0.017)  (  0.014,  -0.019,   0.017)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.002,  -0.006,   0.005)  (  0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.164,   3.556, -14.019)  (  3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 44       (  8.348,  75.919, -23.913)  (  8.353,  75.928, -23.905)  ( 0.06,  0.01,  0.03)
179:     bond    ( 14.575,  43.256,  -7.494)  ( 14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
179:     angle   (  0.011,  -0.077,  -0.029)  (  0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  4.670,  27.650,  -7.698)  (  4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.031,  -0.018,  -0.018)  ( -0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.012,  -0.004,  -0.006)  ( -0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.865,   5.113,  -8.667)  (-10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 45       ( -8.357,  75.919, -23.913)  ( -8.353,  75.928, -23.905)  ( 0.04,  0.01,  0.03)
179:     bond    (-14.578,  43.256,  -7.494)  (-14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
179:     angle   ( -0.013,  -0.077,  -0.029)  ( -0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -4.671,  27.650,  -7.698)  ( -4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.030,  -0.018,  -0.018)  (  0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.012,  -0.004,  -0.006)  (  0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.865,   5.113,  -8.667)  ( 10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 46       (  8.348, -75.934, -23.913)  (  8.353, -75.928, -23.905)  ( 0.06,  0.01,  0.03)
179:     bond    ( 14.575, -43.264,  -7.494)  ( 14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
179:     angle   (  0.011,   0.075,  -0.029)  (  0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  4.670, -27.652,  -7.698)  (  4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.031,   0.017,  -0.018)  ( -0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.012,   0.004,  -0.006)  ( -0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.865,  -5.113,  -8.667)  (-10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 47       (-38.554, -47.306,  52.205)  (-38.549, -47.297,  52.209)  ( 0.01,  0.02,  0.01)
179:     bond    (-12.136, -26.884,  35.751)  (-12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
179:     angle   ( -0.007,  -0.081,  -0.014)  ( -0.006,  -0.079,  -0.013)  ( 0.00,  0.01,  0.00)
179:     strbnd  (-12.414, -17.160,  20.000)  (-12.413, -17.159,  20.000)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.017,  -0.014,   0.019)  (  0.017,  -0.014,   0.019)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.005,  -0.002,   0.006)  (  0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-14.019,  -3.165,  -3.556)  (-14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 48       (-37.613,  -0.007, -70.710)  (-37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
179:     bond    (-31.161,  -0.003, -34.133)  (-31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
179:     angle   ( -0.051,  -0.002,  -0.024)  ( -0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-15.277,  -0.001, -24.743)  (-15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.022,  -0.000,   0.006)  ( -0.021,   0.000,   0.006)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.010,  -0.000,   0.005)  ( -0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.908,  -0.000, -11.821)  (  8.908,  -0.000, -11.821)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 49       ( 23.900,   8.348,  75.919)  ( 23.905,   8.353,  75.928)  ( 0.02,  0.06,  0.01)
179:     bond    (  7.487,  14.575,  43.256)  (  7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
179:     angle   (  0.026,   0.011,  -0.077)  (  0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  7.696,   4.670,  27.650)  (  7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.018,  -0.031,  -0.018)  (  0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,  -0.012,  -0.004)  (  0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.667, -10.865,   5.113)  (  8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 50       (-54.913,  35.514, -24.139)  (-54.905,  35.518, -24.134)  ( 0.02,  0.01,  0.02)
179:     bond    (-26.884,  35.751, -12.136)  (-26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
179:     angle   (  8.310,  -2.331,   1.428)  (  8.312,  -2.330,   1.429)  ( 0.02,  0.05,  0.09)
179:     strbnd  (-33.157,   3.792,  -2.400)  (-33.157,   3.793,  -2.399)  ( 0.00,  0.02,  0.04)
179:     torsion ( -0.015,   1.852,   2.983)  ( -0.015,   1.853,   2.983)  ( 0.00,  0.03,  0.01)
179:     oop     ( -0.002,   0.006,   0.005)  ( -0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.165,  -3.556, -14.019)  ( -3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 51       ( -8.357, -75.934, -23.913)  ( -8.353, -75.928, -23.905)  ( 0.04,  0.01,  0.03)
179:     bond    (-14.578, -43.264,  -7.494)  (-14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
179:     angle   ( -0.013,   0.075,  -0.029)  ( -0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -4.671, -27.652,  -7.698)  ( -4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.030,   0.017,  -0.018)  (  0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.012,   0.004,  -0.006)  (  0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.865,  -5.113,  -8.667)  ( 10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 52       ( 37.554, -49.775,  56.098)  ( 37.561, -49.767,  56.102)  ( 0.02,  0.02,  0.01)
179:     bond    ( 12.130, -26.884,  35.751)  ( 12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
179:     angle   (  1.671,   3.010,   0.624)  (  1.672,   3.012,   0.625)  ( 0.08,  0.05,  0.07)
179:     strbnd  ( 11.182, -22.719,  19.528)  ( 11.183, -22.718,  19.529)  ( 0.01,  0.00,  0.00)
179:     torsion ( -1.441,  -0.016,   3.746)  ( -1.441,  -0.015,   3.746)  ( 0.03,  0.00,  0.02)
179:     oop     ( -0.006,  -0.002,   0.006)  ( -0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 14.019,  -3.165,  -3.556)  ( 14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 53       ( 57.517,  33.960,  18.680)  ( 57.526,  33.965,  18.684)  ( 0.02,  0.02,  0.02)
179:     bond    ( 43.256,   7.487,  14.575)  ( 43.260,   7.491,  14.577)  ( 0.01,  0.04,  0.01)
179:     angle   ( -5.272,  -6.052,  -3.749)  ( -5.270,  -6.051,  -3.748)  ( 0.03,  0.03,  0.03)
179:     strbnd  ( 14.441,  25.672,  15.790)  ( 14.443,  25.673,  15.791)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.018,  -1.820,   2.940)  ( -0.018,  -1.820,   2.940)  ( 0.00,  0.02,  0.02)
179:     oop     ( -0.004,   0.006,  -0.012)  ( -0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.113,   8.667, -10.865)  (  5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 54       (-52.445,  20.194,   0.196)  (-52.439,  20.201,   0.199)  ( 0.01,  0.03,  0.06)
179:     bond    (-30.817,  15.080,  19.379)  (-30.813,  15.086,  19.380)  ( 0.01,  0.03,  0.00)
179:     angle   (  5.186,   6.102,   3.821)  (  5.188,   6.103,   3.822)  ( 0.04,  0.03,  0.02)
179:     strbnd  (-26.815, -14.634, -11.154)  (-26.815, -14.635, -11.154)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,   1.831,  -2.952)  (  0.001,   1.831,  -2.951)  ( 0.00,  0.01,  0.02)
179:     oop     ( -0.000,  -0.005,   0.010)  (  0.000,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000,  11.821,  -8.908)  (  0.000,  11.821,  -8.908)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 55       ( 37.554,  49.762,  56.098)  ( 37.561,  49.767,  56.102)  ( 0.02,  0.01,  0.01)
179:     bond    ( 12.130,  26.876,  35.751)  ( 12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
179:     angle   (  1.671,  -3.013,   0.624)  (  1.672,  -3.012,   0.625)  ( 0.08,  0.05,  0.07)
179:     strbnd  ( 11.182,  22.717,  19.528)  ( 11.183,  22.718,  19.529)  ( 0.01,  0.00,  0.00)
179:     torsion ( -1.441,   0.015,   3.746)  ( -1.441,   0.015,   3.746)  ( 0.03,  0.00,  0.02)
179:     oop     ( -0.006,   0.002,   0.006)  ( -0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 14.019,   3.164,  -3.556)  ( 14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 56       (-38.554,  47.292,  52.205)  (-38.549,  47.297,  52.209)  ( 0.01,  0.01,  0.01)
179:     bond    (-12.136,  26.876,  35.751)  (-12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
179:     angle   ( -0.007,   0.078,  -0.014)  ( -0.006,   0.079,  -0.013)  ( 0.00,  0.01,  0.00)
179:     strbnd  (-12.414,  17.157,  20.000)  (-12.413,  17.159,  20.000)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.017,   0.014,   0.019)  (  0.017,   0.014,   0.019)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.005,   0.002,   0.006)  (  0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-14.019,   3.164,  -3.556)  (-14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
178/223 Test #177: test_ffmmff94_3 ..................   Passed    1.35 sec
test 180
        Start 180: test_ffmmff94_6

180: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ffmmff94" "6"
180: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
180: Environment variables: 
180:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
180:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
180: Test timeout computed to be: 1500
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 57       ( 47.292,  52.205, -38.554)  ( 47.297,  52.209, -38.549)  ( 0.01,  0.01,  0.01)
179:     bond    ( 26.876,  35.751, -12.136)  ( 26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
179:     angle   (  0.078,  -0.014,  -0.007)  (  0.079,  -0.013,  -0.006)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 17.157,  20.000, -12.414)  ( 17.159,  20.000, -12.413)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.014,   0.019,   0.017)  (  0.014,   0.019,   0.017)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.002,   0.006,   0.005)  (  0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.164,  -3.556, -14.019)  (  3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 58       (  3.504, -53.454,  17.121)  (  3.509, -53.448,  17.126)  ( 0.15,  0.01,  0.02)
179:     bond    (-12.452, -26.537,  26.356)  (-12.448, -26.533,  26.357)  ( 0.04,  0.01,  0.01)
179:     angle   ( -9.977,   5.381,  -2.072)  ( -9.975,   5.383,  -2.071)  ( 0.02,  0.04,  0.05)
179:     strbnd  ( 29.601, -21.772,  10.437)  ( 29.601, -21.772,  10.438)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.442,  -1.853,  -6.723)  (  1.442,  -1.853,  -6.722)  ( 0.02,  0.02,  0.01)
179:     oop     (  0.004,  -0.006,  -0.012)  (  0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.113,  -8.667, -10.865)  ( -5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 59       ( 57.517, -33.972,  18.680)  ( 57.526, -33.965,  18.684)  ( 0.02,  0.02,  0.02)
179:     bond    ( 43.256,  -7.494,  14.575)  ( 43.260,  -7.491,  14.577)  ( 0.01,  0.04,  0.01)
179:     angle   ( -5.272,   6.049,  -3.749)  ( -5.270,   6.051,  -3.748)  ( 0.03,  0.03,  0.03)
179:     strbnd  ( 14.441, -25.674,  15.790)  ( 14.443, -25.673,  15.791)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.018,   1.819,   2.940)  ( -0.018,   1.820,   2.940)  ( 0.00,  0.02,  0.02)
179:     oop     ( -0.004,  -0.006,  -0.012)  ( -0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.113,  -8.667, -10.865)  (  5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 60       (-52.445, -20.208,   0.196)  (-52.439, -20.201,   0.199)  ( 0.01,  0.04,  0.06)
179:     bond    (-30.817, -15.091,  19.379)  (-30.813, -15.086,  19.380)  ( 0.01,  0.03,  0.00)
179:     angle   (  5.186,  -6.105,   3.821)  (  5.188,  -6.103,   3.822)  ( 0.04,  0.03,  0.02)
179:     strbnd  (-26.815,  14.635, -11.154)  (-26.815,  14.635, -11.154)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,  -1.831,  -2.952)  (  0.001,  -1.831,  -2.951)  ( 0.00,  0.01,  0.02)
179:     oop     ( -0.000,   0.005,   0.010)  (  0.000,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000, -11.821,  -8.908)  ( -0.000, -11.821,  -8.908)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 18 # gradients 
179: ok 19 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       ( 45.804,   8.666,   0.052)  ( 45.812,   8.674,   0.106)  ( 0.02,  0.10,  0.28)
179:     bond    ( 30.636,  -6.297,   0.167)  ( 30.642,  -6.289,   0.167)  ( 0.02,  0.13,  0.00)
179:     angle   ( 32.862,  34.136,   0.480)  ( 32.865,  34.139,   0.480)  ( 0.01,  0.01,  0.00)
179:     strbnd  (-13.324,  -8.673,  -0.104)  (-13.325,  -8.674,  -0.104)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.006,   0.007,  -0.513)  (  0.006,   0.007,  -0.512)  ( 0.00,  0.00,  0.06)
179:     oop     (  0.002,   0.002,  -0.095)  (  0.001,   0.002,  -0.042)  ( 0.00,  0.00,  0.50)
179:     vdw     ( -4.980, -11.257,   0.121)  ( -4.980, -11.256,   0.121)  ( 0.00,  0.00,  0.00)
179:     electro (  0.603,   0.747,  -0.004)  (  0.603,   0.747,  -0.004)  ( 0.00,  0.00,  0.00)
179:  2       (-58.580, -33.101,  -2.074)  (-58.570, -33.093,  -1.963)  ( 0.02,  0.02,  5.36)
179:     bond    (-30.553,  -9.880,   0.169)  (-30.547,  -9.873,   0.169)  ( 0.02,  0.07,  0.00)
179:     angle   (-46.521, -10.271,   0.396)  (-46.518, -10.269,   0.396)  ( 0.01,  0.02,  0.00)
179:     strbnd  ( 17.496,  -2.306,  -0.133)  ( 17.495,  -2.306,  -0.133)  ( 0.00,  0.03,  0.00)
179:     torsion ( -0.025,   0.014,  -1.717)  ( -0.025,   0.014,  -1.715)  ( 0.00,  0.00,  0.08)
179:     oop     ( -0.004,   0.004,  -0.489)  ( -0.003,   0.003,  -0.380)  ( 0.00,  0.00,  5.38)
179:     vdw     (  1.588, -12.705,  -0.305)  (  1.588, -12.704,  -0.305)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.561,   2.042,   0.005)  ( -0.561,   2.042,   0.005)  ( 0.00,  0.00,  0.00)
179:  3       ( 29.955, -13.583,   1.499)  ( 29.962, -13.574,   1.374)  ( 0.02,  0.06,  8.32)
179:     bond    ( 39.764,   9.492,  -0.196)  ( 39.769,   9.499,  -0.196)  ( 0.01,  0.07,  0.00)
179:     angle   ( -9.543, -33.981,   0.308)  ( -9.540, -33.979,   0.308)  ( 0.03,  0.01,  0.01)
179:     strbnd  ( -7.639,   9.515,  -0.055)  ( -7.639,   9.513,  -0.055)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.011,   0.725,   0.814)  (  0.011,   0.725,   0.815)  ( 0.00,  0.00,  0.09)
179:     oop     (  0.005,   0.000,   0.631)  (  0.004,   0.000,   0.505)  ( 0.00,  0.00,  7.96)
179:     vdw     (  9.366,   0.886,   0.003)  (  9.367,   0.886,   0.003)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.008,  -0.220,  -0.006)  ( -2.008,  -0.220,  -0.006)  ( 0.00,  0.00,  0.00)
179:  4       (  5.799,   3.052,  -0.989)  (  5.809,   3.064,  -0.869)  ( 0.17,  0.41, 11.90)
179:     bond    (-10.729, -14.628,   0.267)  (-10.721, -14.617,   0.267)  ( 0.08,  0.07,  0.01)
179:     angle   ( 32.474,  51.618,  -0.713)  ( 32.476,  51.622,  -0.713)  ( 0.01,  0.01,  0.01)
179:     strbnd  (-21.280, -41.834,   0.455)  (-21.281, -41.837,   0.455)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.002,  -0.000,   0.339)  ( -0.002,  -0.000,   0.341)  ( 0.00,  0.00,  0.04)
179:     oop     ( -0.004,  -0.005,  -0.706)  ( -0.003,  -0.004,  -0.587)  ( 0.00,  0.00,  8.43)
179:     vdw     (  7.224,  10.517,  -0.632)  (  7.224,  10.517,  -0.632)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.885,  -2.616,  -0.000)  ( -1.885,  -2.616,  -0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( 35.971,  57.674,  -1.797)  ( 35.974,  57.682,  -1.824)  ( 0.01,  0.01,  1.53)
179:     bond    ( 14.954,  25.801,  -0.346)  ( 14.956,  25.809,  -0.346)  ( 0.02,  0.03,  0.00)
179:     angle   ( -0.954,   0.553,   0.090)  ( -0.953,   0.554,   0.090)  ( 0.07,  0.01,  0.00)
179:     strbnd  ( 15.993,  27.797,  -0.361)  ( 15.993,  27.797,  -0.362)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,   0.000,   0.051)  (  0.001,   0.000,   0.051)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,   0.002,   0.182)  (  0.001,   0.001,   0.155)  ( 0.00,  0.00,  0.50)
179:     vdw     (  7.016,   4.718,  -1.422)  (  7.016,   4.718,  -1.422)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.039,  -1.196,   0.010)  ( -1.039,  -1.196,   0.010)  ( 0.00,  0.00,  0.00)
179:  6       ( -1.213,  11.041,   0.106)  ( -1.205,  11.049,  -0.021)  ( 0.68,  0.07,  1.35)
179:     bond    (-14.177,  30.083,  -0.172)  (-14.170,  30.088,  -0.172)  ( 0.05,  0.02,  0.00)
179:     angle   (  8.442, -39.763,   0.869)  (  8.444, -39.760,   0.869)  ( 0.03,  0.01,  0.03)
179:     strbnd  ( 11.495,   9.907,  -0.096)  ( 11.495,   9.907,  -0.096)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.428,  -0.249,  -1.278)  ( -0.428,  -0.249,  -1.277)  ( 0.00,  0.00,  0.07)
179:     oop     ( -0.000,   0.003,   0.773)  ( -0.000,   0.003,   0.645)  ( 0.00,  0.00,  9.94)
179:     vdw     ( -6.893,  11.755,   0.015)  ( -6.893,  11.755,   0.015)  ( 0.00,  0.00,  0.00)
179:     electro (  0.348,  -0.695,  -0.005)  (  0.348,  -0.695,  -0.005)  ( 0.00,  0.00,  0.00)
179:  7       (-20.145,  -5.329,  -0.891)  (-20.132,  -5.320,  -0.769)  ( 0.07,  0.16, 10.85)
179:     bond    ( 14.169,   8.086,   0.243)  ( 14.182,   8.092,   0.243)  ( 0.09,  0.08,  0.01)
179:     angle   (-42.998, -14.458,  -0.436)  (-42.996, -14.456,  -0.436)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( 11.153,   0.471,   0.082)  ( 11.151,   0.470,   0.082)  ( 0.01,  0.04,  0.00)
179:     torsion ( -0.004,  -0.002,   0.375)  ( -0.004,  -0.002,   0.376)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.003,  -0.000,  -0.845)  (  0.003,  -0.000,  -0.724)  ( 0.00,  0.00, 10.22)
179:     vdw     ( -7.050,  -0.891,  -0.311)  ( -7.050,  -0.891,  -0.311)  ( 0.00,  0.01,  0.00)
179:     electro (  4.583,   1.466,   0.001)  (  4.583,   1.466,   0.001)  ( 0.00,  0.00,  0.00)
179:  8       (-52.573,  -1.900,  -0.457)  (-52.562,  -1.899,  -0.525)  ( 0.02,  0.06,  3.09)
179:     bond    (-33.079,   0.439,  -0.219)  (-33.068,   0.439,  -0.220)  ( 0.03,  0.01,  0.00)
179:     angle   (  0.010,   0.811,   0.102)  (  0.010,   0.812,   0.102)  ( 0.00,  0.09,  0.00)
179:     strbnd  (-14.392,  -0.434,  -0.079)  (-14.392,  -0.434,  -0.079)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,  -0.000,  -0.096)  (  0.001,  -0.000,  -0.096)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.002,  -0.000,   0.361)  ( -0.002,  -0.000,   0.293)  ( 0.00,  0.00,  2.44)
179:     vdw     ( -5.725,  -2.617,  -0.509)  ( -5.725,  -2.617,  -0.509)  ( 0.00,  0.01,  0.00)
179:     electro (  0.615,  -0.099,  -0.017)  (  0.615,  -0.099,  -0.017)  ( 0.00,  0.00,  0.00)
179:  9       (-31.749, -12.688,  -0.521)  (-31.740, -12.679,  -0.557)  ( 0.03,  0.06,  1.90)
179:     bond    (-31.682, -14.421,  -0.455)  (-31.675, -14.415,  -0.455)  ( 0.02,  0.04,  0.00)
179:     angle   (  5.174,   7.290,   0.065)  (  5.177,   7.293,   0.066)  ( 0.05,  0.03,  0.00)
179:     strbnd  ( -6.582,  -2.350,  -0.240)  ( -6.583,  -2.351,  -0.240)  ( 0.02,  0.05,  0.00)
179:     torsion (  0.000,   0.005,  -0.080)  (  0.000,   0.005,  -0.079)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.001,  -0.003,   0.207)  ( -0.000,  -0.002,   0.169)  ( 0.00,  0.00,  0.78)
179:     vdw     (  1.438,  -3.381,  -0.019)  (  1.438,  -3.381,  -0.019)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.095,   0.172,   0.001)  ( -0.095,   0.172,   0.001)  ( 0.00,  0.00,  0.00)
179: 10       (-10.933, -27.650,  -0.039)  (-10.928, -27.644,  -0.102)  ( 0.04,  0.02,  0.25)
179:     bond    (-32.483, -35.767,  -0.526)  (-32.480, -35.763,  -0.526)  ( 0.01,  0.01,  0.01)
179:     angle   ( 26.625,   6.434,  -0.197)  ( 26.627,   6.434,  -0.197)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -1.629,   3.816,   0.065)  ( -1.629,   3.816,   0.065)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.008,  -0.005,   0.486)  (  0.008,  -0.005,   0.486)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.002,  -0.005,   0.355)  (  0.001,  -0.005,   0.291)  ( 0.00,  0.00,  2.26)
179:     vdw     ( -3.198,  -3.532,  -0.228)  ( -3.198,  -3.531,  -0.228)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.259,   1.410,   0.007)  ( -0.259,   1.410,   0.007)  ( 0.00,  0.00,  0.00)
179: 11       ( 35.883,   8.664,  -0.338)  ( 35.889,   8.671,  -0.245)  ( 0.02,  0.08,  3.13)
179:     bond    ( 44.495,  11.383,   0.093)  ( 44.502,  11.390,   0.093)  ( 0.01,  0.06,  0.00)
179:     angle   ( -0.477,  -4.825,  -0.116)  ( -0.475,  -4.823,  -0.116)  ( 0.09,  0.05,  0.00)
179:     strbnd  (-12.211,   2.309,   0.059)  (-12.213,   2.308,   0.059)  ( 0.02,  0.02,  0.00)
179:     torsion ( -0.001,  -0.001,   0.053)  ( -0.001,  -0.001,   0.054)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   0.010,  -0.488)  ( -0.000,   0.008,  -0.397)  ( 0.00,  0.00,  4.49)
179:     vdw     (  4.096,  -0.193,   0.062)  (  4.096,  -0.193,   0.062)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.018,  -0.019,  -0.000)  ( -0.018,  -0.019,  -0.000)  ( 0.00,  0.00,  0.00)
179: 12       ( 17.293,   2.712,   1.183)  ( 17.298,   2.719,   1.174)  ( 0.03,  0.24,  0.78)
179:     bond    ( 20.776,   7.319,   0.909)  ( 20.781,   7.324,   0.914)  ( 0.02,  0.06,  0.43)
179:     angle   (-13.754,  -4.812,  -0.102)  (-13.752,  -4.809,  -0.101)  ( 0.01,  0.04,  0.02)
179:     strbnd  ( 12.427,   3.908,   0.157)  ( 12.424,   3.908,   0.156)  ( 0.02,  0.02,  0.01)
179:     torsion ( -0.002,  -0.005,   0.222)  ( -0.002,  -0.005,   0.222)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.001,  -0.001,   0.057)  ( -0.000,  -0.001,   0.042)  ( 0.00,  0.00,  0.09)
179:     vdw     ( -1.953,  -4.180,  -0.065)  ( -1.953,  -4.180,  -0.065)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.199,   0.482,   0.005)  ( -0.199,   0.482,   0.005)  ( 0.00,  0.00,  0.00)
179: 13       (-10.045,  -5.608,   1.125)  (-10.040,  -5.601,   1.145)  ( 0.05,  0.12,  1.79)
179:     bond    (-22.923,  -0.335,   0.145)  (-22.919,  -0.330,   0.150)  ( 0.02,  0.16,  0.07)
179:     angle   (  7.410,   2.850,  -0.382)  (  7.411,   2.852,  -0.380)  ( 0.03,  0.07,  0.06)
179:     strbnd  (  0.558,  -0.831,  -0.003)  (  0.557,  -0.831,  -0.003)  ( 0.07,  0.03,  0.00)
179:     torsion (  0.051,  -3.726,   1.437)  (  0.051,  -3.726,   1.438)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.001,  -0.000,  -0.079)  ( -0.001,  -0.000,  -0.065)  ( 0.00,  0.00,  0.11)
179:     vdw     (  6.098,  -3.967,   0.005)  (  6.098,  -3.967,   0.005)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.238,   0.401,   0.001)  ( -1.238,   0.401,   0.001)  ( 0.00,  0.00,  0.00)
179: 14       (  6.287,  -6.477,   3.822)  (  6.293,  -6.472,   3.842)  ( 0.10,  0.08,  0.53)
179:     bond    ( 11.197, -20.692,  -0.065)  ( 11.201, -20.688,  -0.061)  ( 0.04,  0.02,  0.03)
179:     angle   ( -3.458,   7.005,  -0.620)  ( -3.456,   7.007,  -0.619)  ( 0.06,  0.03,  0.09)
179:     strbnd  (  0.022,   0.227,   0.010)  (  0.021,   0.226,   0.009)  ( 0.00,  0.02,  0.00)
179:     torsion (  2.182,   1.253,   4.593)  (  2.182,   1.253,   4.593)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,  -0.001,  -0.092)  (  0.000,  -0.001,  -0.078)  ( 0.00,  0.00,  0.13)
179:     vdw     ( -4.679,   7.355,  -0.008)  ( -4.679,   7.355,  -0.008)  ( 0.00,  0.00,  0.00)
179:     electro (  1.023,  -1.624,   0.005)  (  1.023,  -1.624,   0.005)  ( 0.00,  0.00,  0.00)
179: 15       ( -0.856,   6.294,   0.492)  ( -0.855,   6.299,   0.441)  ( 0.07,  0.08,  2.50)
179:     bond    ( -0.036,   7.926,   0.175)  ( -0.036,   7.930,   0.175)  ( 0.00,  0.05,  0.00)
179:     angle   ( -5.802,  -0.026,  -0.014)  ( -5.802,  -0.026,  -0.014)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  3.604,  -0.129,  -0.013)  (  3.604,  -0.129,  -0.013)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,  -0.003,   0.136)  (  0.001,  -0.003,   0.136)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,  -0.005,   0.223)  (  0.000,  -0.004,   0.172)  ( 0.00,  0.00,  1.13)
179:     vdw     (  1.248,  -1.217,  -0.011)  (  1.248,  -1.217,  -0.011)  ( 0.00,  0.00,  0.00)
179:     electro (  0.130,  -0.252,  -0.003)  (  0.130,  -0.252,  -0.003)  ( 0.00,  0.00,  0.00)
179: 16       (  3.795,  -2.075,  -0.170)  (  3.796,  -2.072,  -0.169)  ( 0.02,  0.17,  0.01)
179:     bond    ( -0.033,  -1.994,  -0.084)  ( -0.033,  -1.991,  -0.084)  ( 0.00,  0.17,  0.00)
179:     angle   (  5.569,  -0.090,  -0.056)  (  5.570,  -0.090,  -0.056)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  2.049,   1.116,   0.067)  (  2.049,   1.116,   0.067)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,   0.000,  -0.009)  (  0.000,   0.000,  -0.009)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.791,  -1.108,  -0.087)  ( -3.791,  -1.108,  -0.087)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       (  3.734,   1.697,   3.317)  (  3.735,   1.697,   3.320)  ( 0.03,  0.05,  0.08)
179:     bond    ( -0.653,   0.424,   1.150)  ( -0.653,   0.424,   1.152)  ( 0.05,  0.01,  0.21)
179:     angle   (  4.116,   2.173,   1.530)  (  4.116,   2.174,   1.530)  ( 0.01,  0.02,  0.01)
179:     strbnd  (  2.185,   0.599,  -0.219)  (  2.185,   0.599,  -0.219)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.003,  -0.008,   0.004)  (  0.003,  -0.008,   0.004)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.916,  -1.492,   0.852)  ( -1.916,  -1.492,   0.852)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       (  3.357,   1.877,  -3.735)  (  3.358,   1.877,  -3.733)  ( 0.04,  0.05,  0.07)
179:     bond    ( -0.951,   0.766,  -1.640)  ( -0.950,   0.766,  -1.638)  ( 0.07,  0.04,  0.14)
179:     angle   (  4.217,   2.283,  -1.378)  (  4.217,   2.284,  -1.377)  ( 0.01,  0.02,  0.01)
179:     strbnd  (  2.195,   0.574,   0.319)  (  2.195,   0.574,   0.319)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.003,   0.007,   0.005)  ( -0.003,   0.007,   0.005)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.102,  -1.754,  -1.042)  ( -2.101,  -1.754,  -1.042)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       ( -0.948,   1.749,  -2.994)  ( -0.947,   1.750,  -2.991)  ( 0.08,  0.04,  0.10)
179:     bond    (  0.687,   0.547,  -1.969)  (  0.688,   0.547,  -1.967)  ( 0.02,  0.01,  0.15)
179:     angle   ( -2.117,   0.190,  -0.687)  ( -2.116,   0.190,  -0.687)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -1.351,  -0.031,   0.069)  ( -1.351,  -0.031,   0.069)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.009,   1.344,   0.371)  ( -0.009,   1.344,   0.371)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.840,  -0.300,  -0.777)  (  1.840,  -0.300,  -0.777)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       (  3.214,  -1.427,   1.320)  (  3.215,  -1.424,   1.320)  ( 0.03,  0.21,  0.05)
179:     bond    (  0.757,  -1.956,   0.504)  (  0.757,  -1.953,   0.504)  ( 0.03,  0.15,  0.01)
179:     angle   ( -2.944,  -1.085,   0.217)  ( -2.943,  -1.085,   0.218)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -1.362,   0.055,  -0.006)  ( -1.362,   0.055,  -0.006)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,  -0.023,  -0.087)  ( -0.001,  -0.023,  -0.087)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.765,   1.580,   0.691)  (  6.765,   1.580,   0.691)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (  1.311,   2.298,   1.796)  (  1.312,   2.300,   1.798)  ( 0.07,  0.08,  0.10)
179:     bond    (  0.773,   1.536,   1.536)  (  0.773,   1.538,   1.538)  ( 0.03,  0.10,  0.10)
179:     angle   ( -2.380,   0.642,   0.554)  ( -2.380,   0.642,   0.554)  ( 0.02,  0.02,  0.01)
179:     strbnd  ( -1.349,  -0.045,  -0.017)  ( -1.349,  -0.045,  -0.017)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.034,   1.670,  -1.653)  ( -0.034,   1.670,  -1.653)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.301,  -1.506,   1.375)  (  4.301,  -1.506,   1.375)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       ( -2.919,   0.875,   1.448)  ( -2.916,   0.876,   1.450)  ( 0.08,  0.06,  0.11)
179:     bond    ( -1.870,  -0.110,   1.417)  ( -1.868,  -0.110,   1.418)  ( 0.12,  0.00,  0.09)
179:     angle   (  0.520,  -2.593,   0.484)  (  0.520,  -2.593,   0.484)  ( 0.01,  0.02,  0.01)
179:     strbnd  (  0.654,  -1.205,   0.011)  (  0.654,  -1.205,   0.011)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.476,  -0.834,  -2.010)  ( -1.476,  -0.834,  -2.010)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.746,   5.617,   1.547)  ( -0.746,   5.617,   1.547)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( -2.177,   4.626,   0.844)  ( -2.175,   4.628,   0.845)  ( 0.08,  0.05,  0.06)
179:     bond    (  1.483,   1.776,   0.765)  (  1.485,   1.778,   0.766)  ( 0.09,  0.10,  0.03)
179:     angle   (  2.624,  -2.307,   0.268)  (  2.625,  -2.307,   0.268)  ( 0.01,  0.01,  0.01)
179:     strbnd  (  0.634,  -1.241,  -0.006)  (  0.634,  -1.242,  -0.006)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.519,   0.264,  -1.620)  (  0.519,   0.264,  -1.620)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -7.437,   6.134,   1.436)  ( -7.437,   6.134,   1.436)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       ( -0.385,  -1.508,  -3.050)  ( -0.385,  -1.508,  -3.047)  ( 0.03,  0.04,  0.10)
179:     bond    ( -0.615,   0.404,  -1.895)  ( -0.615,   0.404,  -1.892)  ( 0.02,  0.01,  0.16)
179:     angle   (  0.873,  -1.806,  -0.669)  (  0.873,  -1.806,  -0.669)  ( 0.04,  0.03,  0.01)
179:     strbnd  (  0.665,  -1.206,   0.041)  (  0.665,  -1.206,   0.041)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.796,  -0.434,   0.166)  ( -0.796,  -0.434,   0.166)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.512,   1.534,  -0.692)  ( -0.512,   1.534,  -0.692)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 20 # gradients 
179: ok 21 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (  1.436,   0.635,  -0.080)  (  1.441,   0.640,  -0.074)  ( 0.35,  0.34,  0.05)
179:     bond    (  0.905,   2.623,   8.120)  (  0.909,   2.627,   8.124)  ( 0.37,  0.15,  0.05)
179:     angle   (  7.385,   0.772,  -9.892)  (  7.388,   0.774,  -9.889)  ( 0.03,  0.16,  0.02)
179:     strbnd  (  0.181,   1.490,  -0.840)  (  0.180,   1.489,  -0.841)  ( 0.02,  0.06,  0.05)
179:     torsion ( -3.658,  -1.057,   2.616)  ( -3.658,  -1.057,   2.616)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.221,  -3.068,  -0.045)  ( -3.221,  -3.068,  -0.045)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.156,  -0.125,  -0.039)  ( -0.156,  -0.125,  -0.039)  ( 0.00,  0.00,  0.00)
179:  2       (  0.736,   0.034,   0.004)  (  0.742,   0.039,   0.010)  ( 0.41,  0.02,  0.00)
179:     bond    ( 11.123,  -1.351,  -2.048)  ( 11.127,  -1.347,  -2.044)  ( 0.04,  0.29,  0.21)
179:     angle   ( -8.045,   1.278,   9.737)  ( -8.043,   1.280,   9.739)  ( 0.03,  0.16,  0.02)
179:     strbnd  (  0.965,  -2.280,   1.631)  (  0.965,  -2.281,   1.630)  ( 0.07,  0.04,  0.02)
179:     torsion (  4.294,   0.736,  -3.479)  (  4.294,   0.736,  -3.478)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -7.601,   1.652,  -5.836)  ( -7.601,   1.652,  -5.836)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (  0.562,   0.076,  -0.092)  (  0.566,   0.081,  -0.087)  ( 0.27,  0.04,  0.05)
179:     bond    (  6.097,  -9.677,  17.390)  (  6.101,  -9.673,  17.394)  ( 0.06,  0.04,  0.02)
179:     angle   ( -1.378,   4.252, -13.110)  ( -1.376,   4.254, -13.108)  ( 0.15,  0.05,  0.02)
179:     strbnd  (  0.257,   0.181,  -0.552)  (  0.256,   0.180,  -0.552)  ( 0.03,  0.01,  0.03)
179:     torsion ( -0.355,   2.764,   0.802)  ( -0.355,   2.764,   0.802)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.059,   2.557,  -4.623)  ( -4.059,   2.557,  -4.623)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (  1.512,   0.156,  -0.055)  (  1.517,   0.176,   0.019)  ( 0.34,  0.31,  0.40)
179:     bond    (  8.642,  10.885,  -8.146)  (  8.646,  10.889,  -8.142)  ( 0.04,  0.04,  0.05)
179:     angle   ( -7.598,  -8.113,  12.883)  ( -7.596,  -8.111,  12.884)  ( 0.03,  0.02,  0.01)
179:     strbnd  ( -1.384,   1.903,  -1.050)  ( -1.385,   1.903,  -1.050)  ( 0.08,  0.03,  0.05)
179:     torsion (  3.685,   2.177,  -4.847)  (  3.685,   2.177,  -4.846)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.002,  -0.088,  -0.446)  ( -0.002,  -0.075,  -0.377)  ( 0.00,  0.12,  3.03)
179:     vdw     ( -1.895,  -6.707,   1.430)  ( -1.894,  -6.706,   1.430)  ( 0.00,  0.00,  0.00)
179:     electro (  0.063,   0.099,   0.121)  (  0.063,   0.099,   0.121)  ( 0.00,  0.00,  0.00)
179:  5       ( -8.945,   4.312,  -0.274)  ( -8.934,   4.277,  -0.481)  ( 0.12,  0.80,  5.66)
179:     bond    (-12.705,  14.137,  -1.636)  (-12.697,  14.141,  -1.636)  ( 0.06,  0.03,  0.02)
179:     angle   (  1.253,   3.126,  -9.477)  (  1.254,   3.128,  -9.476)  ( 0.12,  0.05,  0.01)
179:     strbnd  (  1.419,  -3.117,   0.027)  (  1.419,  -3.117,   0.027)  ( 0.04,  0.02,  0.00)
179:     torsion ( -0.255,   1.581,   7.797)  ( -0.255,   1.581,   7.798)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.011,   0.244,   1.272)  ( -0.008,   0.203,   1.063)  ( 0.00,  0.98, 16.38)
179:     vdw     (  0.999, -11.742,   1.783)  (  0.999, -11.742,   1.783)  ( 0.02,  0.00,  0.00)
179:     electro (  0.355,   0.083,  -0.040)  (  0.355,   0.083,  -0.040)  ( 0.00,  0.00,  0.00)
179:  6       (  8.712,  -4.725,   1.481)  (  8.721,  -4.712,   1.502)  ( 0.11,  0.28,  1.43)
179:     bond    (  3.884,   4.853,  -0.204)  (  3.892,   4.858,  -0.204)  ( 0.19,  0.11,  0.01)
179:     angle   (  1.621,  -0.921,   2.154)  (  1.622,  -0.919,   2.155)  ( 0.08,  0.16,  0.02)
179:     strbnd  ( -1.690,   1.656,  -0.349)  ( -1.691,   1.655,  -0.349)  ( 0.04,  0.03,  0.00)
179:     torsion ( -0.062,  -0.722,  -2.668)  ( -0.062,  -0.722,  -2.667)  ( 0.00,  0.00,  0.04)
179:     oop     ( -0.011,  -0.030,  -0.074)  ( -0.010,  -0.023,  -0.055)  ( 0.00,  0.02,  0.14)
179:     vdw     (  4.938,  -9.590,   2.718)  (  4.938,  -9.589,   2.718)  ( 0.00,  0.00,  0.00)
179:     electro (  0.032,   0.028,  -0.096)  (  0.032,   0.028,  -0.096)  ( 0.00,  0.00,  0.00)
179:  7       ( -1.422,   0.562,  -0.406)  ( -1.418,   0.571,  -0.376)  ( 0.28,  0.47,  1.19)
179:     bond    (-11.282,  11.208,   0.541)  (-11.278,  11.212,   0.545)  ( 0.04,  0.03,  0.24)
179:     angle   (  9.286,  -4.053,  -3.402)  (  9.288,  -4.051,  -3.400)  ( 0.02,  0.05,  0.04)
179:     strbnd  (  0.811,  -0.072,  -0.853)  (  0.810,  -0.073,  -0.854)  ( 0.06,  0.01,  0.03)
179:     torsion ( -1.331,  -0.869,   0.696)  ( -1.331,  -0.869,   0.696)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.009,  -0.020,  -0.131)  (  0.007,  -0.017,  -0.108)  ( 0.00,  0.01,  0.31)
179:     vdw     (  0.881,  -5.592,   2.703)  (  0.881,  -5.592,   2.703)  ( 0.01,  0.00,  0.00)
179:     electro (  0.204,  -0.039,   0.041)  (  0.204,  -0.039,   0.041)  ( 0.00,  0.00,  0.00)
179:  8       (  0.736,   0.178,   0.067)  (  0.740,   0.183,   0.072)  ( 0.35,  0.09,  0.04)
179:     bond    ( -1.261,  -2.729, -19.147)  ( -1.258,  -2.725, -19.143)  ( 0.27,  0.13,  0.02)
179:     angle   ( -9.942,   7.503,  26.405)  ( -9.940,   7.505,  26.407)  ( 0.02,  0.03,  0.01)
179:     strbnd  (  4.138,   2.113,   0.872)  (  4.137,   2.112,   0.871)  ( 0.02,  0.04,  0.03)
179:     torsion (  2.267,  -2.809,  -7.166)  (  2.267,  -2.809,  -7.166)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.533,  -3.900,  -0.897)  (  5.533,  -3.899,  -0.897)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (  0.364,   0.232,  -0.008)  (  0.369,   0.237,  -0.002)  ( 0.20,  0.11,  0.00)
179:     bond    ( -6.983,  11.163,   5.799)  ( -6.980,  11.166,   5.803)  ( 0.06,  0.03,  0.07)
179:     angle   (  6.589,   0.564, -10.864)  (  6.592,   0.566, -10.862)  ( 0.04,  0.12,  0.02)
179:     strbnd  ( -4.331,  -9.696,   0.323)  ( -4.332,  -9.697,   0.323)  ( 0.02,  0.01,  0.01)
179:     torsion (  0.192,   1.536,   1.287)  (  0.192,   1.536,   1.287)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.897,  -3.334,   3.446)  (  4.897,  -3.334,   3.447)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (  0.279,   0.320,   0.215)  (  0.284,   0.326,   0.221)  ( 0.13,  0.18,  0.13)
179:     bond    (  3.926,  16.947,  -8.842)  (  3.929,  16.951,  -8.838)  ( 0.09,  0.02,  0.05)
179:     angle   ( -6.642,  -8.727,   8.491)  ( -6.640,  -8.725,   8.493)  ( 0.03,  0.02,  0.02)
179:     strbnd  ( -1.913,  -4.925,   2.830)  ( -1.914,  -4.925,   2.830)  ( 0.05,  0.01,  0.02)
179:     torsion ( -1.013,  -0.173,  -1.195)  ( -1.013,  -0.173,  -1.195)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.922,  -2.802,  -1.070)  (  5.922,  -2.802,  -1.070)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       (  0.045,   0.535,   0.496)  (  0.051,   0.539,   0.502)  ( 0.03,  0.24,  0.29)
179:     bond    (-22.008,  -2.471,  -8.891)  (-22.004,  -2.468,  -8.886)  ( 0.02,  0.14,  0.05)
179:     angle   ( 15.128,   5.024,   5.636)  ( 15.130,   5.026,   5.638)  ( 0.01,  0.04,  0.03)
179:     strbnd  (  6.334,   1.549,   3.089)  (  6.333,   1.548,   3.089)  ( 0.01,  0.06,  0.02)
179:     torsion ( -1.616,   1.448,   1.166)  ( -1.616,   1.448,   1.166)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.209,  -5.015,  -0.504)  (  2.209,  -5.015,  -0.504)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (  0.018,  -0.028,  -0.133)  (  0.022,  -0.023,  -0.128)  ( 0.01,  0.01,  0.07)
179:     bond    (-12.958,  14.537,  15.529)  (-12.956,  14.540,  15.533)  ( 0.02,  0.02,  0.03)
179:     angle   (  5.486, -21.711, -16.528)  (  5.488, -21.709, -16.526)  ( 0.04,  0.01,  0.01)
179:     strbnd  (  4.156,   8.341,  -1.058)  (  4.155,   8.340,  -1.059)  ( 0.02,  0.01,  0.04)
179:     torsion (  0.521,  -0.105,  -0.116)  (  0.521,  -0.105,  -0.116)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.814,  -1.090,   2.040)  (  2.814,  -1.090,   2.040)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       ( -0.345,  -0.098,  -0.425)  ( -0.340,  -0.093,  -0.420)  ( 0.16,  0.05,  0.21)
179:     bond    ( 19.196, -25.927,  -5.472)  ( 19.199, -25.923,  -5.468)  ( 0.02,  0.01,  0.07)
179:     angle   (-20.973,  31.110,   6.384)  (-20.971,  31.112,   6.386)  ( 0.01,  0.01,  0.03)
179:     strbnd  ( -1.801,  -4.659,   1.967)  ( -1.802,  -4.660,   1.966)  ( 0.04,  0.02,  0.03)
179:     torsion (  2.190,  -1.303,  -1.287)  (  2.190,  -1.303,  -1.287)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.043,   0.681,  -2.017)  (  1.043,   0.681,  -2.017)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       ( -0.307,  -0.668,  -1.189)  ( -0.302,  -0.663,  -1.183)  ( 0.14,  0.32,  0.49)
179:     bond    (-22.467,  22.959, -11.970)  (-22.463,  22.963, -11.965)  ( 0.01,  0.02,  0.04)
179:     angle   ( 20.677, -26.111,   8.252)  ( 20.679, -26.109,   8.254)  ( 0.01,  0.01,  0.02)
179:     strbnd  (  1.372,  -1.663,  -0.432)  (  1.371,  -1.664,  -0.432)  ( 0.07,  0.05,  0.02)
179:     torsion ( -0.738,   1.381,   1.027)  ( -0.738,   1.381,   1.027)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.849,   2.766,   1.934)  (  0.849,   2.766,   1.934)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       ( -0.779,  -0.703,  -0.742)  ( -0.774,  -0.698,  -0.735)  ( 0.36,  0.34,  0.45)
179:     bond    ( 11.046, -27.491,   7.813)  ( 11.049, -27.488,   7.817)  ( 0.03,  0.01,  0.06)
179:     angle   (-13.695,  29.364,  -9.854)  (-13.693,  29.366,  -9.852)  ( 0.01,  0.01,  0.02)
179:     strbnd  ( -1.160,   1.909,  -1.027)  ( -1.161,   1.909,  -1.027)  ( 0.08,  0.04,  0.03)
179:     torsion (  0.502,  -0.879,  -1.143)  (  0.502,  -0.879,  -1.143)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.527,  -3.606,   3.470)  (  2.528,  -3.606,   3.470)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       ( -1.065,  -0.614,   1.036)  ( -1.061,  -0.609,   1.042)  ( 0.45,  0.30,  0.57)
179:     bond    ( -9.763,  20.766,  -9.836)  ( -9.759,  20.769,  -9.832)  ( 0.04,  0.02,  0.05)
179:     angle   (  9.857, -21.778,   9.882)  (  9.859, -21.776,   9.884)  ( 0.02,  0.01,  0.02)
179:     strbnd  (  0.357,   0.332,   0.998)  (  0.356,   0.331,   0.998)  ( 0.03,  0.03,  0.03)
179:     torsion ( -0.978,   0.700,   0.353)  ( -0.978,   0.700,   0.353)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.539,  -0.634,  -0.360)  ( -0.539,  -0.634,  -0.360)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       ( -1.087,  -1.069,   0.177)  ( -1.083,  -1.064,   0.183)  ( 0.43,  0.46,  0.10)
179:     bond    ( -1.901, -13.454,  13.464)  ( -1.897, -13.450,  13.468)  ( 0.18,  0.03,  0.03)
179:     angle   (  1.193,   9.826, -16.679)  (  1.195,   9.828, -16.677)  ( 0.18,  0.02,  0.01)
179:     strbnd  ( -3.337,   0.795,   1.409)  ( -3.338,   0.794,   1.408)  ( 0.03,  0.08,  0.02)
179:     torsion (  0.974,   1.005,   1.909)  (  0.974,   1.005,   1.909)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.983,   0.759,   0.074)  (  1.983,   0.759,   0.074)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       ( -0.972,  -1.131,   0.537)  ( -0.966,  -1.126,   0.543)  ( 0.57,  0.45,  0.31)
179:     bond    (  8.970,  -7.168,  -3.472)  (  8.974,  -7.164,  -3.467)  ( 0.05,  0.06,  0.13)
179:     angle   ( -7.660,   2.779,   4.648)  ( -7.658,   2.781,   4.650)  ( 0.02,  0.07,  0.04)
179:     strbnd  ( -0.534,  -1.586,   1.106)  ( -0.535,  -1.587,   1.106)  ( 0.03,  0.05,  0.04)
179:     torsion ( -0.534,  -0.161,  -0.695)  ( -0.534,  -0.161,  -0.695)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.214,   5.005,  -1.050)  ( -1.214,   5.005,  -1.050)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       ( -0.892,  -1.390,  -0.413)  ( -0.887,  -1.384,  -0.407)  ( 0.44,  0.43,  0.23)
179:     bond    (-14.431,   0.239,  -5.354)  (-14.427,   0.243,  -5.350)  ( 0.03,  0.11,  0.08)
179:     angle   (  5.190,  -0.465,   6.381)  (  5.192,  -0.463,   6.382)  ( 0.04,  0.09,  0.03)
179:     strbnd  (  2.347,  -0.745,   1.442)  (  2.346,  -0.746,   1.441)  ( 0.04,  0.03,  0.03)
179:     torsion (  0.871,  -0.786,  -1.907)  (  0.871,  -0.786,  -1.907)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.131,   0.367,  -0.974)  (  5.131,   0.367,  -0.974)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       ( -1.255,   0.127,  -0.110)  ( -1.249,   0.133,  -0.106)  ( 0.48,  0.08,  0.05)
179:     bond    (  4.252,  -7.565,  15.329)  (  4.256,  -7.560,  15.333)  ( 0.11,  0.06,  0.03)
179:     angle   (  1.408,   3.130,  -7.552)  (  1.409,   3.132,  -7.550)  ( 0.13,  0.06,  0.03)
179:     strbnd  (  0.392,   0.525,  -4.232)  (  0.392,   0.524,  -4.233)  ( 0.02,  0.03,  0.02)
179:     torsion ( -2.747,   1.008,   0.725)  ( -2.747,   1.008,   0.725)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.560,   3.029,  -4.380)  ( -4.560,   3.029,  -4.380)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (  0.264,   0.125,  -0.017)  (  0.269,   0.129,  -0.012)  ( 0.13,  0.06,  0.01)
179:     bond    ( 20.008,  -3.510,  -2.218)  ( 20.012,  -3.507,  -2.215)  ( 0.02,  0.09,  0.15)
179:     angle   (-15.231,  -7.030,   0.649)  (-15.229,  -7.028,   0.651)  ( 0.01,  0.03,  0.15)
179:     strbnd  ( -8.351,  11.149,   4.002)  ( -8.352,  11.148,   4.001)  ( 0.01,  0.01,  0.02)
179:     torsion (  1.984,  -2.010,  -1.712)  (  1.984,  -2.010,  -1.712)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.854,   1.526,  -0.737)  (  1.854,   1.526,  -0.737)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (  0.427,   0.342,  -0.042)  (  0.433,   0.348,  -0.037)  ( 0.25,  0.20,  0.02)
179:     bond    (  4.959,  -8.811, -19.046)  (  4.964,  -8.806, -19.042)  ( 0.09,  0.05,  0.02)
179:     angle   ( -3.781,   3.630,  13.839)  ( -3.779,   3.632,  13.841)  ( 0.05,  0.05,  0.01)
179:     strbnd  (  1.990,  -1.284,  -2.382)  (  1.989,  -1.285,  -2.383)  ( 0.02,  0.04,  0.04)
179:     torsion ( -0.424,  -0.578,   0.131)  ( -0.424,  -0.578,   0.131)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.317,   7.386,   7.417)  ( -2.317,   7.386,   7.417)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       (  0.262,   0.237,   0.013)  (  0.267,   0.243,   0.019)  ( 0.12,  0.14,  0.01)
179:     bond    ( -9.101, -14.027,  14.486)  ( -9.097, -14.023,  14.490)  ( 0.04,  0.03,  0.03)
179:     angle   ( 10.251,   5.425, -14.704)  ( 10.253,   5.427, -14.702)  ( 0.02,  0.04,  0.01)
179:     strbnd  (  4.541,  -0.227,   0.888)  (  4.540,  -0.227,   0.888)  ( 0.02,  0.01,  0.06)
179:     torsion ( -1.610,   3.720,   3.452)  ( -1.610,   3.720,   3.452)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.819,   5.346,  -4.109)  ( -3.819,   5.346,  -4.109)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       (  0.357,   0.362,   0.364)  (  0.362,   0.367,   0.370)  ( 0.18,  0.17,  0.22)
179:     bond    ( 21.264, -13.824,  -2.826)  ( 21.268, -13.820,  -2.821)  ( 0.02,  0.03,  0.16)
179:     angle   (-16.268,  12.918,  11.920)  (-16.266,  12.920,  11.922)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -2.042,  -2.702,   2.306)  ( -2.043,  -2.703,   2.305)  ( 0.04,  0.04,  0.01)
179:     torsion (  0.242,  -0.309,  -3.665)  (  0.242,  -0.309,  -3.665)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.840,   4.280,  -7.371)  ( -2.839,   4.280,  -7.371)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       (  0.298,   0.643,   0.076)  (  0.302,   0.648,   0.081)  ( 0.13,  0.32,  0.04)
179:     bond    (-17.007,  -1.605,  19.177)  (-17.004,  -1.602,  19.181)  ( 0.02,  0.21,  0.02)
179:     angle   ( 20.289, -11.578, -20.050)  ( 20.291, -11.576, -20.048)  ( 0.01,  0.02,  0.01)
179:     strbnd  (  0.219,   4.268,  -0.478)  (  0.218,   4.267,  -0.478)  ( 0.02,  0.02,  0.02)
179:     torsion ( -1.834,   2.984,   4.550)  ( -1.834,   2.984,   4.550)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.369,   6.574,  -3.124)  ( -1.369,   6.574,  -3.124)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       (  1.702,  -0.982,   0.019)  (  1.706,  -0.964,   0.099)  ( 0.20,  1.69,  0.15)
179:     bond    ( 15.847,  -1.098,  -7.962)  ( 15.850,  -1.095,  -7.959)  ( 0.02,  0.29,  0.04)
179:     angle   (-11.285,  -1.723,  11.202)  (-11.283,  -1.722,  11.203)  ( 0.02,  0.12,  0.02)
179:     strbnd  ( -2.536,   2.403,   1.664)  ( -2.537,   2.402,   1.663)  ( 0.03,  0.03,  0.04)
179:     torsion (  1.195,  -2.901,  -3.945)  (  1.195,  -2.901,  -3.945)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.005,  -0.076,  -0.452)  (  0.004,  -0.063,  -0.376)  ( 0.00,  0.10,  3.40)
179:     vdw     ( -1.368,   2.242,  -0.525)  ( -1.367,   2.242,  -0.525)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.155,   0.173,   0.037)  ( -0.155,   0.173,   0.037)  ( 0.00,  0.00,  0.00)
179: 27       (  0.236,   0.612,   0.037)  (  0.242,   0.618,   0.042)  ( 0.14,  0.35,  0.02)
179:     bond    (  5.055, -10.233, -17.302)  (  5.059, -10.229, -17.298)  ( 0.09,  0.04,  0.02)
179:     angle   ( -3.183,   7.842,  10.800)  ( -3.181,   7.843,  10.802)  ( 0.06,  0.02,  0.02)
179:     strbnd  (  1.203,   0.907,  -0.607)  (  1.203,   0.907,  -0.608)  ( 0.04,  0.05,  0.06)
179:     torsion ( -0.959,  -0.405,  -0.114)  ( -0.959,  -0.405,  -0.114)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.881,   2.501,   7.260)  ( -1.880,   2.501,   7.260)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       (  2.639,  -0.334,  -0.722)  (  2.643,  -0.333,  -0.718)  ( 0.16,  0.06,  0.35)
179:     bond    (  7.820,   3.623,  -3.208)  (  7.824,   3.624,  -3.204)  ( 0.05,  0.03,  0.12)
179:     angle   ( -2.167,   1.247,   4.426)  ( -2.166,   1.247,   4.428)  ( 0.01,  0.03,  0.03)
179:     strbnd  (  0.310,   0.219,   0.140)  (  0.310,   0.219,   0.140)  ( 0.00,  0.00,  0.01)
179:     torsion (  0.871,  -2.454,  -0.635)  (  0.871,  -2.454,  -0.635)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.614,  -2.920,  -1.379)  ( -3.614,  -2.920,  -1.379)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.581,  -0.048,  -0.068)  ( -0.581,  -0.048,  -0.068)  ( 0.00,  0.00,  0.00)
179: 29       (  0.408,   0.492,   0.031)  (  0.409,   0.493,   0.034)  ( 0.03,  0.06,  0.01)
179:     bond    ( -1.093,   2.730,   5.745)  ( -1.093,   2.731,   5.748)  ( 0.01,  0.02,  0.04)
179:     angle   ( -0.447,  -1.804,   0.772)  ( -0.446,  -1.803,   0.772)  ( 0.03,  0.03,  0.01)
179:     strbnd  ( -0.651,  -1.825,  -2.101)  ( -0.651,  -1.825,  -2.101)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.322,  -0.173,   0.334)  (  1.322,  -0.173,   0.334)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.277,   1.563,  -4.719)  (  1.277,   1.563,  -4.719)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       (  0.503,   0.033,   0.106)  (  0.504,   0.034,   0.109)  ( 0.04,  0.00,  0.03)
179:     bond    (  0.388,  -0.566,  -1.877)  (  0.388,  -0.566,  -1.874)  ( 0.01,  0.02,  0.16)
179:     angle   ( -1.222,   1.435,  -0.686)  ( -1.222,   1.436,  -0.686)  ( 0.05,  0.04,  0.00)
179:     strbnd  ( -0.562,   0.515,   1.009)  ( -0.562,   0.515,   1.009)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.037,   0.246,  -0.289)  ( -1.037,   0.246,  -0.289)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.936,  -1.598,   1.950)  (  2.936,  -1.598,   1.950)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       (  0.438,   0.182,   0.134)  (  0.439,   0.183,   0.137)  ( 0.04,  0.02,  0.04)
179:     bond    ( -1.114,   1.979,   6.032)  ( -1.114,   1.980,   6.035)  ( 0.01,  0.02,  0.05)
179:     angle   ( -0.690,   1.900,  -0.751)  ( -0.689,   1.901,  -0.751)  ( 0.04,  0.03,  0.01)
179:     strbnd  (  0.022,  -0.078,  -2.039)  (  0.022,  -0.078,  -2.039)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.783,   1.067,  -0.206)  (  0.783,   1.067,  -0.206)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.437,  -4.688,  -2.903)  (  1.437,  -4.687,  -2.903)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       (  1.763,   0.235,  -0.010)  (  1.764,   0.236,  -0.007)  ( 0.05,  0.03,  0.00)
179:     bond    ( -0.495,   1.091,   2.241)  ( -0.495,   1.092,   2.244)  ( 0.01,  0.06,  0.12)
179:     angle   ( -0.145,   0.135,  -0.098)  ( -0.144,   0.135,  -0.098)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -0.003,  -0.325,  -0.202)  ( -0.003,  -0.325,  -0.202)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.861,   0.535,   0.150)  (  1.861,   0.535,   0.150)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.545,  -1.202,  -2.101)  (  0.545,  -1.202,  -2.101)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       (  0.648,   0.036,  -0.155)  (  0.650,   0.037,  -0.153)  ( 0.11,  0.00,  0.03)
179:     bond    (  2.130,  -0.511,   2.443)  (  2.132,  -0.511,   2.445)  ( 0.07,  0.00,  0.08)
179:     angle   (  2.580,  -0.905,  -2.439)  (  2.580,  -0.904,  -2.439)  ( 0.01,  0.05,  0.01)
179:     strbnd  ( -0.613,   0.221,  -1.607)  ( -0.613,   0.221,  -1.607)  ( 0.00,  0.00,  0.00)
179:     torsion ( -2.226,   0.124,   1.967)  ( -2.226,   0.125,   1.967)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.223,   1.107,  -0.518)  ( -1.223,   1.107,  -0.518)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       (  0.623,  -0.025,  -0.099)  (  0.624,  -0.024,  -0.096)  ( 0.07,  0.00,  0.02)
179:     bond    (  1.205,  -1.083,  -2.206)  (  1.205,  -1.082,  -2.204)  ( 0.05,  0.05,  0.10)
179:     angle   (  4.429,  -0.679,   2.755)  (  4.430,  -0.679,   2.755)  ( 0.01,  0.03,  0.01)
179:     strbnd  ( -0.025,   0.560,   1.229)  ( -0.025,   0.560,   1.229)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.189,  -0.747,  -0.284)  ( -1.189,  -0.747,  -0.284)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.797,   1.923,  -1.593)  ( -3.797,   1.923,  -1.593)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       (  0.727,   0.236,   0.113)  (  0.728,   0.237,   0.115)  ( 0.07,  0.02,  0.03)
179:     bond    ( -1.135,   1.111,   3.160)  ( -1.134,   1.111,   3.163)  ( 0.03,  0.03,  0.08)
179:     angle   (  2.191,   0.137,   0.737)  (  2.191,   0.138,   0.737)  ( 0.03,  0.01,  0.01)
179:     strbnd  (  1.028,  -1.182,  -0.643)  (  1.028,  -1.182,  -0.643)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.059,  -1.190,   0.439)  (  0.059,  -1.190,   0.439)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.416,   1.359,  -3.581)  ( -1.416,   1.359,  -3.581)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       (  0.488,   0.270,  -0.116)  (  0.489,   0.274,  -0.116)  ( 0.04,  0.09,  0.01)
179:     bond    (  0.456,  -2.299,   0.220)  (  0.456,  -2.296,   0.220)  ( 0.01,  0.14,  0.00)
179:     angle   (  2.467,   0.624,   1.393)  (  2.468,   0.624,   1.393)  ( 0.02,  0.00,  0.04)
179:     strbnd  (  0.024,   1.326,   0.945)  (  0.024,   1.326,   0.945)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.177,  -0.003,  -0.400)  (  0.177,  -0.003,  -0.399)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.636,   0.622,  -2.274)  ( -2.636,   0.622,  -2.274)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       (  0.151,   1.287,   0.431)  (  0.152,   1.288,   0.434)  ( 0.02,  0.05,  0.13)
179:     bond    (  1.073,  -0.388,  -2.975)  (  1.074,  -0.388,  -2.972)  ( 0.04,  0.00,  0.10)
179:     angle   ( -0.794,   2.840,  -0.658)  ( -0.793,   2.841,  -0.658)  ( 0.04,  0.02,  0.00)
179:     strbnd  ( -0.284,   0.981,   1.653)  ( -0.284,   0.981,   1.653)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.057,  -0.640,  -0.298)  ( -1.057,  -0.640,  -0.298)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.212,  -1.506,   2.709)  (  1.212,  -1.506,   2.709)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 38       (  0.339,   0.476,   1.257)  (  0.340,   0.479,   1.258)  ( 0.03,  0.15,  0.04)
179:     bond    ( -0.805,   4.071,   0.318)  ( -0.805,   4.074,   0.318)  ( 0.01,  0.08,  0.00)
179:     angle   (  5.353,   1.181,  -1.582)  (  5.354,   1.181,  -1.581)  ( 0.01,  0.00,  0.03)
179:     strbnd  (  0.930,  -1.391,  -0.658)  (  0.930,  -1.391,  -0.658)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.899,  -0.571,   2.506)  ( -1.899,  -0.571,   2.506)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.240,  -2.814,   0.673)  ( -3.240,  -2.814,   0.673)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 39       ( -0.459,   2.457,  -0.480)  ( -0.460,   2.464,  -0.456)  ( 0.02,  0.30,  1.11)
179:     bond    ( -0.322,   6.022,  -1.065)  ( -0.322,   6.026,  -1.065)  ( 0.00,  0.06,  0.01)
179:     angle   ( -3.546,  -0.243,  -0.303)  ( -3.546,  -0.243,  -0.303)  ( 0.02,  0.00,  0.00)
179:     strbnd  (  0.529,  -2.091,   0.417)  (  0.529,  -2.091,   0.417)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.017,   0.060,   0.336)  (  0.017,   0.060,   0.337)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.010,  -0.029,  -0.170)  (  0.009,  -0.026,  -0.147)  ( 0.00,  0.01,  0.39)
179:     vdw     (  2.635,  -1.088,   0.220)  (  2.635,  -1.088,   0.220)  ( 0.00,  0.00,  0.00)
179:     electro (  0.219,  -0.174,   0.085)  (  0.219,  -0.174,   0.085)  ( 0.00,  0.00,  0.00)
179: 40       (  0.840,  -0.019,  -0.312)  (  0.841,  -0.018,  -0.309)  ( 0.11,  0.00,  0.07)
179:     bond    ( -1.264,   0.699,  -1.919)  ( -1.263,   0.699,  -1.917)  ( 0.07,  0.02,  0.11)
179:     angle   (  0.476,   0.291,  -0.208)  (  0.477,   0.292,  -0.208)  ( 0.02,  0.02,  0.00)
179:     strbnd  (  0.323,   0.150,   1.507)  (  0.323,   0.150,   1.507)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.949,   0.716,  -0.364)  (  0.949,   0.716,  -0.364)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.355,  -1.875,   0.672)  (  0.355,  -1.875,   0.672)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 41       (  0.302,   0.253,  -0.644)  (  0.303,   0.254,  -0.641)  ( 0.04,  0.02,  0.15)
179:     bond    ( -1.052,   0.652,   1.694)  ( -1.051,   0.653,   1.696)  ( 0.08,  0.02,  0.13)
179:     angle   (  1.336,   3.153,  -0.385)  (  1.337,   3.153,  -0.384)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.202,   0.175,  -1.360)  (  0.202,   0.175,  -1.360)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.348,  -0.299,  -0.101)  ( -0.348,  -0.299,  -0.101)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.164,  -3.428,  -0.491)  (  0.164,  -3.428,  -0.491)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 42       (  0.242,  -0.051,   0.087)  (  0.243,  -0.051,   0.090)  ( 0.02,  0.00,  0.03)
179:     bond    (  0.344,   0.091,  -1.789)  (  0.344,   0.091,  -1.786)  ( 0.00,  0.00,  0.18)
179:     angle   ( -2.274,   1.718,  -0.351)  ( -2.274,   1.718,  -0.351)  ( 0.02,  0.03,  0.00)
179:     strbnd  (  0.055,   0.966,   0.467)  (  0.055,   0.966,   0.467)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.347,   0.529,   0.094)  (  0.347,   0.529,   0.094)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.770,  -3.355,   1.666)  (  1.770,  -3.355,   1.666)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 43       (  0.647,   0.422,  -0.099)  (  0.648,   0.424,  -0.099)  ( 0.07,  0.12,  0.01)
179:     bond    ( -0.598,   1.361,   0.419)  ( -0.597,   1.363,   0.420)  ( 0.03,  0.19,  0.01)
179:     angle   (  0.254,   1.061,  -3.086)  (  0.255,   1.061,  -3.085)  ( 0.01,  0.01,  0.02)
179:     strbnd  (  0.585,   0.274,  -0.771)  (  0.585,   0.274,  -0.771)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.431,  -0.894,   2.291)  ( -0.431,  -0.894,   2.291)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.837,  -1.379,   1.046)  (  0.837,  -1.379,   1.046)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 44       ( -0.948,   0.980,   0.797)  ( -0.947,   0.982,   0.799)  ( 0.08,  0.11,  0.21)
179:     bond    ( -0.079,  -0.094,  -0.209)  ( -0.078,  -0.094,  -0.207)  ( 0.00,  0.00,  0.05)
179:     angle   ( -1.561,   3.754,  -1.115)  ( -1.561,   3.755,  -1.115)  ( 0.03,  0.01,  0.01)
179:     strbnd  ( -1.025,   0.299,   0.384)  ( -1.025,   0.299,   0.384)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.309,  -1.025,   0.349)  (  0.309,  -1.025,   0.349)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.408,  -1.954,   1.389)  (  1.408,  -1.954,   1.389)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 45       (  0.684,   0.907,   1.369)  (  0.687,   0.908,   1.370)  ( 0.16,  0.08,  0.09)
179:     bond    ( -1.901,   0.820,   1.194)  ( -1.899,   0.820,   1.195)  ( 0.11,  0.03,  0.07)
179:     angle   ( -0.217,  -0.147,  -0.244)  ( -0.216,  -0.146,  -0.243)  ( 0.00,  0.01,  0.01)
179:     strbnd  ( -0.303,  -0.559,  -1.117)  ( -0.303,  -0.559,  -1.117)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.043,   1.144,   0.873)  (  1.043,   1.144,   0.873)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.062,  -0.352,   0.663)  (  2.062,  -0.352,   0.663)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 46       (  0.367,  -0.348,   0.007)  (  0.368,  -0.346,   0.010)  ( 0.03,  0.04,  0.00)
179:     bond    ( -0.743,   1.942,   5.648)  ( -0.743,   1.943,   5.651)  ( 0.01,  0.02,  0.05)
179:     angle   ( -0.834,   2.429,  -0.945)  ( -0.833,   2.430,  -0.945)  ( 0.05,  0.03,  0.01)
179:     strbnd  ( -0.401,  -0.284,  -2.968)  ( -0.401,  -0.284,  -2.968)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.439,  -1.217,   0.361)  ( -0.439,  -1.217,   0.361)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.784,  -3.218,  -2.089)  (  2.784,  -3.218,  -2.089)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 47       (  0.015,  -0.265,   0.203)  (  0.016,  -0.264,   0.204)  ( 0.00,  0.04,  0.03)
179:     bond    (  0.405,  -0.387,  -0.424)  (  0.406,  -0.386,  -0.423)  ( 0.05,  0.04,  0.05)
179:     angle   ( -2.172,  -2.780,   0.450)  ( -2.171,  -2.779,   0.451)  ( 0.02,  0.01,  0.02)
179:     strbnd  ( -0.734,   0.044,   1.793)  ( -0.734,   0.044,   1.793)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.276,  -0.075,  -0.196)  ( -0.276,  -0.075,  -0.196)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.791,   2.933,  -1.421)  (  2.791,   2.933,  -1.421)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 48       ( -0.723,  -0.153,  -2.370)  ( -0.721,  -0.151,  -2.369)  ( 0.12,  0.03,  0.05)
179:     bond    ( -0.977,   1.037,   0.786)  ( -0.976,   1.038,   0.787)  ( 0.12,  0.13,  0.06)
179:     angle   ( -0.242,   0.074,  -0.397)  ( -0.241,   0.074,  -0.397)  ( 0.01,  0.00,  0.01)
179:     strbnd  (  0.015,  -0.149,  -2.101)  (  0.015,  -0.149,  -2.101)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.303,   0.391,  -0.890)  ( -0.303,   0.391,  -0.890)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.783,  -1.505,   0.233)  (  0.783,  -1.505,   0.233)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 49       (  0.608,  -1.419,  -1.523)  (  0.609,  -1.418,  -1.520)  ( 0.04,  0.06,  0.21)
179:     bond    ( -0.234,   0.800,  -3.501)  ( -0.234,   0.800,  -3.498)  ( 0.00,  0.01,  0.09)
179:     angle   ( -0.364,  -2.283,  -0.498)  ( -0.363,  -2.283,  -0.498)  ( 0.02,  0.02,  0.00)
179:     strbnd  ( -1.308,   0.802,   1.925)  ( -1.308,   0.802,   1.925)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.209,  -1.267,  -0.371)  (  1.209,  -1.267,  -0.371)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.305,   0.529,   0.922)  (  1.305,   0.529,   0.922)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 50       ( -1.926,  -0.688,  -1.325)  ( -1.925,  -0.687,  -1.323)  ( 0.05,  0.11,  0.15)
179:     bond    (  1.132,  -1.684,  -2.127)  (  1.132,  -1.683,  -2.125)  ( 0.04,  0.07,  0.08)
179:     angle   ( -0.386,   0.713,  -0.771)  ( -0.386,   0.714,  -0.771)  ( 0.02,  0.03,  0.02)
179:     strbnd  ( -0.234,  -0.477,   1.916)  ( -0.234,  -0.478,   1.916)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.839,   0.814,  -1.092)  ( -0.839,   0.814,  -1.092)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.600,  -0.054,   0.749)  ( -1.600,  -0.054,   0.749)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 51       (  0.141,  -0.997,  -1.237)  (  0.142,  -0.996,  -1.234)  ( 0.01,  0.10,  0.23)
179:     bond    ( -0.459,   0.602,  -1.366)  ( -0.459,   0.603,  -1.364)  ( 0.01,  0.03,  0.19)
179:     angle   ( -4.840,  -2.593,   0.483)  ( -4.839,  -2.592,   0.483)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -0.066,  -0.914,  -1.669)  ( -0.066,  -0.914,  -1.669)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.609,  -0.569,  -0.456)  (  0.609,  -0.569,  -0.456)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.897,   2.477,   1.772)  (  4.897,   2.477,   1.772)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 52       ( -2.339,   0.741,   1.932)  ( -2.338,   0.742,   1.935)  ( 0.04,  0.05,  0.15)
179:     bond    ( -0.579,   0.431,  -1.609)  ( -0.579,   0.431,  -1.606)  ( 0.02,  0.01,  0.17)
179:     angle   ( -0.609,   2.084,   0.779)  ( -0.609,   2.085,   0.779)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.098,   0.859,   1.399)  (  0.098,   0.859,   1.399)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.384,  -0.338,   0.048)  ( -0.384,  -0.338,   0.048)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.864,  -2.295,   1.315)  ( -0.864,  -2.295,   1.315)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 53       (  0.056,  -1.491,   2.539)  (  0.057,  -1.489,   2.541)  ( 0.01,  0.13,  0.06)
179:     bond    ( -1.594,   2.825,   2.595)  ( -1.593,   2.827,   2.597)  ( 0.03,  0.05,  0.05)
179:     angle   ( -1.514,  -2.295,   1.569)  ( -1.514,  -2.295,   1.569)  ( 0.03,  0.01,  0.02)
179:     strbnd  (  0.494,  -0.602,  -2.308)  (  0.494,  -0.602,  -2.308)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.240,  -0.042,   0.806)  (  1.240,  -0.042,   0.806)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.431,  -1.377,  -0.123)  (  1.431,  -1.377,  -0.123)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 54       ( -1.751,  -1.353,   0.152)  ( -1.750,  -1.352,   0.155)  ( 0.04,  0.06,  0.05)
179:     bond    ( -0.353,   0.090,   4.018)  ( -0.353,   0.090,   4.021)  ( 0.00,  0.00,  0.08)
179:     angle   ( -0.173,  -0.584,  -0.002)  ( -0.173,  -0.583,  -0.002)  ( 0.01,  0.04,  0.00)
179:     strbnd  (  0.100,  -0.938,  -1.958)  (  0.100,  -0.938,  -1.958)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.477,  -0.328,  -0.122)  ( -1.476,  -0.328,  -0.122)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.153,   0.407,  -1.784)  (  0.153,   0.407,  -1.784)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 55       ( -0.691,  -0.566,  -0.526)  ( -0.688,  -0.566,  -0.525)  ( 0.22,  0.04,  0.04)
179:     bond    ( -0.658,  -0.057,  -0.193)  ( -0.655,  -0.057,  -0.193)  ( 0.21,  0.00,  0.01)
179:     angle   (  0.205,  -4.548,   0.655)  (  0.205,  -4.547,   0.655)  ( 0.00,  0.01,  0.03)
179:     strbnd  ( -0.169,  -0.573,  -0.356)  ( -0.169,  -0.573,  -0.356)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.064,   0.110,  -0.250)  (  0.064,   0.110,  -0.250)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.132,   4.501,  -0.381)  ( -0.132,   4.502,  -0.381)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 56       ( -1.939,  -2.205,   0.809)  ( -1.938,  -2.204,   0.812)  ( 0.03,  0.03,  0.27)
179:     bond    ( -0.033,  -0.223,  -1.036)  ( -0.033,  -0.223,  -1.033)  ( 0.00,  0.00,  0.31)
179:     angle   (  0.267,  -3.200,   0.682)  (  0.267,  -3.200,   0.682)  ( 0.01,  0.02,  0.00)
179:     strbnd  (  0.445,  -0.392,   0.323)  (  0.445,  -0.392,   0.323)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.267,  -0.189,   0.049)  ( -0.267,  -0.189,   0.049)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.350,   1.799,   0.791)  ( -2.350,   1.799,   0.791)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 57       ( -0.222,  -0.711,   1.702)  ( -0.221,  -0.708,   1.703)  ( 0.02,  0.16,  0.07)
179:     bond    ( -1.423,  -3.015,   1.849)  ( -1.423,  -3.013,   1.849)  ( 0.03,  0.07,  0.04)
179:     angle   (  1.191,  -0.586,  -0.038)  (  1.192,  -0.586,  -0.038)  ( 0.04,  0.01,  0.00)
179:     strbnd  (  0.927,   0.636,  -0.840)  (  0.927,   0.636,  -0.840)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.670,   0.208,   0.854)  (  0.670,   0.208,   0.854)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.587,   2.046,  -0.123)  ( -1.587,   2.046,  -0.123)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 58       ( -1.065,  -1.279,  -1.213)  ( -1.063,  -1.277,  -1.212)  ( 0.14,  0.19,  0.05)
179:     bond    ( -0.341,   0.461,   0.108)  ( -0.340,   0.463,   0.108)  ( 0.04,  0.10,  0.00)
179:     angle   ( -2.386,  -1.529,  -0.965)  ( -2.386,  -1.529,  -0.964)  ( 0.01,  0.01,  0.04)
179:     strbnd  ( -0.455,  -0.647,  -0.480)  ( -0.455,  -0.647,  -0.480)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.014,   0.020,  -0.041)  (  0.014,   0.020,  -0.041)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.104,   0.416,   0.164)  (  2.104,   0.416,   0.164)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 59       ( -1.070,  -1.140,  -0.343)  ( -1.069,  -1.138,  -0.342)  ( 0.10,  0.20,  0.03)
179:     bond    ( -1.369,  -2.487,   1.248)  ( -1.368,  -2.484,   1.248)  ( 0.05,  0.09,  0.04)
179:     angle   ( -1.624,   0.072,  -1.636)  ( -1.623,   0.072,  -1.636)  ( 0.03,  0.00,  0.03)
179:     strbnd  ( -0.372,   0.804,  -0.765)  ( -0.372,   0.804,  -0.765)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.290,   0.448,   0.574)  ( -0.290,   0.448,   0.574)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.584,   0.022,   0.237)  (  2.584,   0.022,   0.237)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 60       ( -0.358,  -1.910,  -0.423)  ( -0.357,  -1.909,  -0.420)  ( 0.02,  0.03,  0.14)
179:     bond    (  0.061,  -0.358,  -2.470)  (  0.061,  -0.358,  -2.467)  ( 0.00,  0.00,  0.13)
179:     angle   ( -2.334,  -1.222,   0.119)  ( -2.334,  -1.222,   0.119)  ( 0.02,  0.04,  0.00)
179:     strbnd  ( -0.879,   0.068,   0.565)  ( -0.879,   0.068,   0.565)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.016,  -0.218,   0.032)  (  0.016,  -0.218,   0.032)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.778,  -0.179,   1.331)  (  2.778,  -0.179,   1.331)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 61       ( -1.170,  -0.189,   0.037)  ( -1.168,  -0.188,   0.038)  ( 0.25,  0.01,  0.00)
179:     bond    ( -0.428,  -0.103,  -0.175)  ( -0.426,  -0.103,  -0.175)  ( 0.12,  0.00,  0.01)
179:     angle   ( -0.331,  -3.245,   2.709)  ( -0.331,  -3.244,   2.710)  ( 0.00,  0.01,  0.02)
179:     strbnd  ( -0.890,  -0.655,   0.505)  ( -0.890,  -0.655,   0.505)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.146,   0.349,   0.151)  ( -0.146,   0.349,   0.152)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.626,   3.464,  -3.153)  (  0.626,   3.464,  -3.153)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 62       ( -1.757,   0.318,   0.260)  ( -1.756,   0.322,   0.261)  ( 0.03,  0.11,  0.02)
179:     bond    (  0.021,   0.242,  -0.008)  (  0.021,   0.246,  -0.008)  ( 0.00,  0.08,  0.00)
179:     angle   (  2.576,  -0.098,   3.676)  (  2.576,  -0.098,   3.677)  ( 0.02,  0.00,  0.01)
179:     strbnd  (  0.261,   0.641,   0.904)  (  0.261,   0.642,   0.904)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.156,  -0.106,  -0.183)  (  1.156,  -0.106,  -0.183)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.770,  -0.362,  -4.129)  ( -5.770,  -0.362,  -4.129)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 63       ( -1.163,   0.855,  -0.571)  ( -1.161,   0.856,  -0.570)  ( 0.16,  0.08,  0.09)
179:     bond    ( -1.786,   1.024,   1.583)  ( -1.785,   1.024,   1.584)  ( 0.09,  0.05,  0.08)
179:     angle   (  0.428,  -0.094,   0.542)  (  0.428,  -0.094,   0.543)  ( 0.01,  0.00,  0.02)
179:     strbnd  (  0.673,  -0.673,   0.446)  (  0.673,  -0.673,   0.446)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.227,  -0.276,  -0.077)  ( -0.227,  -0.276,  -0.077)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.250,   0.874,  -3.065)  ( -0.250,   0.874,  -3.065)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 64       (  0.790,  -0.989,   0.790)  (  0.793,  -0.989,   0.791)  ( 0.25,  0.06,  0.06)
179:     bond    (  0.666,   0.107,  -0.162)  (  0.670,   0.108,  -0.162)  ( 0.21,  0.00,  0.00)
179:     angle   ( -0.821,  -2.989,  -5.388)  ( -0.821,  -2.989,  -5.387)  ( 0.00,  0.02,  0.01)
179:     strbnd  ( -1.303,  -0.763,  -0.758)  ( -1.303,  -0.763,  -0.758)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.159,  -0.563,   0.283)  (  0.159,  -0.563,   0.283)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.089,   3.218,   6.815)  (  2.089,   3.218,   6.815)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 65       (  1.612,   1.583,  -0.244)  (  1.613,   1.584,  -0.242)  ( 0.09,  0.07,  0.05)
179:     bond    ( -0.305,   0.226,  -0.426)  ( -0.304,   0.227,  -0.424)  ( 0.03,  0.01,  0.08)
179:     angle   (  3.626,  -2.262,  -3.808)  (  3.626,  -2.262,  -3.808)  ( 0.01,  0.02,  0.01)
179:     strbnd  (  0.994,  -1.017,  -0.192)  (  0.994,  -1.017,  -0.192)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.256,   0.264,  -0.043)  (  0.256,   0.264,  -0.043)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.959,   4.372,   4.225)  ( -2.958,   4.372,   4.225)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 66       ( -1.078,   0.552,  -0.760)  ( -1.078,   0.556,  -0.759)  ( 0.06,  0.19,  0.05)
179:     bond    (  0.016,   0.113,   0.003)  (  0.016,   0.116,   0.003)  ( 0.00,  0.04,  0.00)
179:     angle   (  2.563,  -0.264,  -3.412)  (  2.563,  -0.264,  -3.411)  ( 0.02,  0.00,  0.02)
179:     strbnd  (  0.510,   0.950,  -1.109)  (  0.510,   0.950,  -1.109)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.450,   0.067,  -0.151)  ( -0.450,   0.067,  -0.151)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.718,  -0.314,   3.909)  ( -3.717,  -0.314,   3.909)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 67       (  0.335,   0.250,   0.082)  (  0.336,   0.253,   0.082)  ( 0.02,  0.08,  0.00)
179:     bond    (  0.214,  -2.095,   0.090)  (  0.214,  -2.092,   0.090)  ( 0.00,  0.16,  0.00)
179:     angle   (  1.574,   0.246,   1.978)  (  1.575,   0.246,   1.979)  ( 0.04,  0.00,  0.03)
179:     strbnd  ( -0.777,   1.004,   0.844)  ( -0.777,   1.004,   0.844)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.181,  -0.026,  -1.050)  (  0.181,  -0.026,  -1.050)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.857,   1.121,  -1.781)  ( -0.857,   1.121,  -1.781)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 68       (  0.121,   0.190,   0.044)  (  0.122,   0.191,   0.047)  ( 0.01,  0.02,  0.01)
179:     bond    ( -0.946,   0.945,   2.916)  ( -0.946,   0.945,   2.919)  ( 0.03,  0.03,  0.09)
179:     angle   (  2.086,  -0.263,   0.761)  (  2.086,  -0.263,   0.761)  ( 0.03,  0.01,  0.01)
179:     strbnd  (  0.013,  -1.433,  -0.930)  (  0.013,  -1.433,  -0.930)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.192,  -1.114,   0.423)  (  0.192,  -1.114,   0.423)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.224,   2.055,  -3.126)  ( -1.224,   2.055,  -3.126)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 69       (  0.670,   0.306,   0.584)  (  0.671,   0.308,   0.587)  ( 0.08,  0.04,  0.14)
179:     bond    ( -0.089,   0.102,   0.156)  ( -0.088,   0.103,   0.158)  ( 0.01,  0.01,  0.03)
179:     angle   (  0.439,  -2.980,   2.180)  (  0.440,  -2.979,   2.180)  ( 0.02,  0.02,  0.01)
179:     strbnd  (  0.329,   0.312,   1.723)  (  0.329,   0.312,   1.723)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.972,  -0.601,   0.932)  (  0.972,  -0.601,   0.933)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.982,   3.473,  -4.407)  ( -0.982,   3.473,  -4.407)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 70       (  0.106,   0.582,   0.566)  (  0.107,   0.583,   0.568)  ( 0.02,  0.04,  0.13)
179:     bond    (  1.818,  -0.560,   2.482)  (  1.819,  -0.560,   2.484)  ( 0.06,  0.01,  0.08)
179:     angle   ( -0.401,  -1.568,  -0.060)  ( -0.400,  -1.567,  -0.060)  ( 0.01,  0.04,  0.00)
179:     strbnd  ( -0.251,  -0.339,  -2.165)  ( -0.251,  -0.339,  -2.165)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.175,   0.745,   1.028)  ( -1.175,   0.745,   1.028)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.115,   2.304,  -0.719)  (  0.115,   2.304,  -0.719)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 71       (  0.738,   0.197,   0.250)  (  0.741,   0.198,   0.251)  ( 0.20,  0.02,  0.02)
179:     bond    (  1.848,   0.749,  -0.682)  (  1.850,   0.749,  -0.682)  ( 0.14,  0.03,  0.02)
179:     angle   ( -0.676,  -2.968,  -5.094)  ( -0.676,  -2.967,  -5.094)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -1.187,  -1.166,  -0.503)  ( -1.187,  -1.166,  -0.503)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.213,  -0.324,   0.223)  (  0.213,  -0.324,   0.223)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.541,   3.906,   6.307)  (  0.541,   3.906,   6.307)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 72       (  0.699,   1.329,  -0.078)  (  0.701,   1.330,  -0.076)  ( 0.13,  0.05,  0.02)
179:     bond    ( -0.821,   0.235,  -0.916)  ( -0.820,   0.235,  -0.914)  ( 0.12,  0.00,  0.17)
179:     angle   (  3.757,  -0.301,  -3.447)  (  3.757,  -0.301,  -3.447)  ( 0.01,  0.01,  0.01)
179:     strbnd  (  1.187,  -0.802,  -0.115)  (  1.187,  -0.802,  -0.115)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.090,  -0.149,   0.042)  ( -0.090,  -0.149,   0.042)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.334,   2.346,   4.357)  ( -3.333,   2.346,   4.357)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 73       ( -0.259,   0.501,  -0.385)  ( -0.258,   0.505,  -0.385)  ( 0.01,  0.17,  0.02)
179:     bond    ( -0.024,   0.218,  -0.017)  ( -0.024,   0.221,  -0.017)  ( 0.00,  0.07,  0.00)
179:     angle   (  2.747,   0.023,  -3.607)  (  2.748,   0.023,  -3.606)  ( 0.02,  0.00,  0.02)
179:     strbnd  (  0.214,   0.580,  -1.173)  (  0.214,   0.580,  -1.173)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.122,  -0.015,  -0.032)  ( -0.122,  -0.015,  -0.032)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.075,  -0.304,   4.442)  ( -3.075,  -0.304,   4.443)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 74       (  0.137,   2.170,  -1.424)  (  0.139,   2.171,  -1.421)  ( 0.03,  0.04,  0.25)
179:     bond    ( -0.028,  -0.019,  -0.043)  ( -0.027,  -0.018,  -0.040)  ( 0.00,  0.00,  0.01)
179:     angle   (  2.217,   0.907,  -1.911)  (  2.217,   0.907,  -1.911)  ( 0.01,  0.00,  0.01)
179:     strbnd  (  0.644,   0.343,   0.113)  (  0.644,   0.343,   0.113)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.820,   1.602,  -0.191)  ( -0.820,   1.602,  -0.191)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.896,  -0.668,   0.650)  ( -1.896,  -0.668,   0.650)  ( 0.00,  0.00,  0.00)
179:     electro (  0.020,   0.005,  -0.042)  (  0.020,   0.005,  -0.042)  ( 0.00,  0.00,  0.00)
179: ok 22 # gradients 
179: ok 23 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       ( -0.390,  -0.080,  -0.086)  ( -0.400,  -0.036,  -0.040)  ( 0.41,  0.35,  0.40)
179:     bond    (  6.718,   6.276,  -0.511)  (  6.723,   6.283,  -0.510)  ( 0.07,  0.11,  0.05)
179:     angle   (  7.350,   2.161,   1.524)  (  7.352,   2.163,   1.524)  ( 0.02,  0.08,  0.00)
179:     strbnd  ( -5.562,  -3.003,  -0.620)  ( -5.562,  -3.004,  -0.620)  ( 0.00,  0.02,  0.00)
179:     torsion (  0.209,  -0.213,  -0.135)  (  0.209,  -0.213,  -0.134)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.102,  -0.210,  -0.295)  (  0.085,  -0.175,  -0.250)  ( 0.17,  0.74,  1.31)
179:     vdw     ( -9.274,  -5.085,  -0.061)  ( -9.274,  -5.085,  -0.061)  ( 0.00,  0.00,  0.00)
179:     electro (  0.067,  -0.005,   0.012)  (  0.067,  -0.005,   0.012)  ( 0.00,  0.00,  0.00)
179:  2       ( -0.546,  -0.957,   0.155)  ( -0.544,  -0.941,   0.181)  ( 0.08,  1.49,  0.40)
179:     bond    (  5.859,  -4.939,   3.180)  (  5.864,  -4.931,   3.182)  ( 0.09,  0.16,  0.04)
179:     angle   ( -5.582,   0.865,  -2.937)  ( -5.580,   0.867,  -2.937)  ( 0.03,  0.13,  0.01)
179:     strbnd  (  3.439,  -2.665,   1.582)  (  3.438,  -2.666,   1.582)  ( 0.02,  0.03,  0.00)
179:     torsion ( -0.645,   0.747,   3.059)  ( -0.645,   0.747,   3.060)  ( 0.01,  0.01,  0.04)
179:     oop     (  0.034,  -0.042,  -0.149)  (  0.029,  -0.036,  -0.126)  ( 0.02,  0.03,  0.35)
179:     vdw     ( -3.802,   4.778,  -4.508)  ( -3.801,   4.778,  -4.508)  ( 0.01,  0.00,  0.00)
179:     electro (  0.151,   0.299,  -0.070)  (  0.151,   0.299,  -0.070)  ( 0.00,  0.00,  0.00)
179:  3       ( -6.918,   4.406,  -3.910)  ( -6.927,   4.418,  -3.755)  ( 0.12,  0.27,  3.97)
179:     bond    (  8.537,   8.504,   0.695)  (  8.543,   8.515,   0.695)  ( 0.06,  0.14,  0.00)
179:     angle   (-28.587,  -3.313,  -5.216)  (-28.584,  -3.311,  -5.216)  ( 0.01,  0.05,  0.00)
179:     strbnd  ( 13.895,   1.569,   1.674)  ( 13.894,   1.567,   1.674)  ( 0.01,  0.12,  0.00)
179:     torsion ( -0.070,   0.291,  -0.883)  ( -0.070,   0.291,  -0.883)  ( 0.00,  0.00,  0.04)
179:     oop     (  0.085,  -0.003,  -0.855)  (  0.070,  -0.003,  -0.700)  ( 0.13,  0.00, 13.23)
179:     vdw     ( -3.152,  -1.167,  -0.567)  ( -3.152,  -1.167,  -0.567)  ( 0.00,  0.00,  0.00)
179:     electro (  2.373,  -1.475,   1.243)  (  2.373,  -1.475,   1.243)  ( 0.00,  0.00,  0.00)
179:  4       (  6.252,  -1.262,   2.485)  (  6.292,  -1.324,   2.319)  ( 0.63,  4.92,  6.70)
179:     bond    (  5.784,   6.960,  -1.839)  (  5.788,   6.969,  -1.837)  ( 0.07,  0.13,  0.11)
179:     angle   (  0.982, -10.064,   4.762)  (  0.983, -10.062,   4.762)  ( 0.17,  0.02,  0.00)
179:     strbnd  (  2.113,   6.313,  -2.390)  (  2.113,   6.312,  -2.391)  ( 0.01,  0.02,  0.01)
179:     torsion (  0.211,  -0.053,  -0.431)  (  0.211,  -0.052,  -0.430)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.201,   0.426,   1.012)  ( -0.167,   0.355,   0.843)  ( 0.68,  3.05, 16.69)
179:     vdw     ( -0.575,  -5.329,   2.147)  ( -0.575,  -5.329,   2.147)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.061,   0.485,  -0.775)  ( -2.061,   0.485,  -0.775)  ( 0.00,  0.00,  0.00)
179:  5       ( -4.110,  -0.366,  -1.743)  ( -4.120,  -0.332,  -1.682)  ( 0.25,  1.24,  3.49)
179:     bond    (  0.169,   6.053,  -2.652)  (  0.169,   6.060,  -2.651)  ( 0.00,  0.13,  0.06)
179:     angle   ( -0.570,  -0.029,  -0.102)  ( -0.569,  -0.029,  -0.102)  ( 0.04,  0.00,  0.00)
179:     strbnd  ( -0.449,  -0.737,   0.244)  ( -0.449,  -0.737,   0.244)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.351,  -0.798,  -1.802)  (  0.351,  -0.798,  -1.802)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.063,  -0.144,  -0.325)  (  0.052,  -0.118,  -0.265)  ( 0.07,  0.38,  1.92)
179:     vdw     ( -5.042,  -4.784,   2.331)  ( -5.041,  -4.784,   2.331)  ( 0.00,  0.00,  0.00)
179:     electro (  1.366,   0.073,   0.563)  (  1.366,   0.073,   0.563)  ( 0.00,  0.00,  0.00)
179:  6       ( -0.304,   0.282,  -0.195)  ( -0.308,   0.313,  -0.130)  ( 0.12,  0.89,  1.29)
179:     bond    ( -0.057,   4.697,  -1.723)  ( -0.052,   4.701,  -1.723)  ( 0.03,  0.10,  0.04)
179:     angle   (  6.722,   9.815,  -3.104)  (  6.724,   9.816,  -3.104)  ( 0.03,  0.02,  0.00)
179:     strbnd  ( -8.096,  -2.087,  -0.459)  ( -8.096,  -2.087,  -0.459)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.110,   0.259,   0.519)  ( -0.110,   0.259,   0.520)  ( 0.00,  0.00,  0.06)
179:     oop     (  0.071,  -0.161,  -0.404)  (  0.060,  -0.136,  -0.340)  ( 0.08,  0.40,  2.58)
179:     vdw     (  1.049, -12.118,   4.931)  (  1.049, -12.118,   4.931)  ( 0.03,  0.00,  0.00)
179:     electro (  0.117,  -0.122,   0.045)  (  0.117,  -0.122,   0.045)  ( 0.00,  0.00,  0.00)
179:  7       ( -0.202,   0.557,  -0.182)  ( -0.197,   0.570,  -0.158)  ( 0.09,  0.68,  0.44)
179:     bond    (  3.349,  -0.633,   0.565)  (  3.354,  -0.629,   0.566)  ( 0.16,  0.29,  0.05)
179:     angle   ( -2.010,  -5.848,   0.374)  ( -2.008,  -5.846,   0.374)  ( 0.11,  0.04,  0.01)
179:     strbnd  ( -0.379,  -1.736,   0.181)  ( -0.380,  -1.737,   0.181)  ( 0.03,  0.03,  0.00)
179:     torsion ( -0.325,   0.273,   1.507)  ( -0.325,   0.273,   1.508)  ( 0.00,  0.00,  0.09)
179:     oop     (  0.017,  -0.034,  -0.134)  (  0.015,  -0.028,  -0.112)  ( 0.00,  0.02,  0.29)
179:     vdw     ( -0.926,   8.721,  -2.733)  ( -0.925,   8.721,  -2.733)  ( 0.03,  0.00,  0.00)
179:     electro (  0.071,  -0.184,   0.059)  (  0.071,  -0.184,   0.059)  ( 0.00,  0.00,  0.00)
179:  8       ( -1.891,  -0.177,  -0.173)  ( -1.886,  -0.165,  -0.154)  ( 0.25,  0.22,  0.33)
179:     bond    ( -2.335,  12.424,  -4.470)  ( -2.330,  12.429,  -4.470)  ( 0.23,  0.04,  0.02)
179:     angle   ( -1.627,  -0.904,   0.021)  ( -1.626,  -0.902,   0.021)  ( 0.10,  0.16,  0.00)
179:     strbnd  ( -5.052,  -1.205,  -0.263)  ( -5.052,  -1.206,  -0.263)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.060,   0.134,   0.425)  ( -0.060,   0.134,   0.426)  ( 0.00,  0.00,  0.05)
179:     oop     (  0.013,  -0.035,  -0.105)  (  0.011,  -0.030,  -0.088)  ( 0.00,  0.02,  0.18)
179:     vdw     (  6.553, -10.647,   4.170)  (  6.553, -10.647,   4.170)  ( 0.00,  0.00,  0.00)
179:     electro (  0.618,   0.057,   0.050)  (  0.618,   0.057,   0.050)  ( 0.00,  0.00,  0.00)
179:  9       ( -0.774,  -1.950,  -0.631)  ( -0.746,  -1.983,  -0.746)  ( 2.17,  1.69,  7.26)
179:     bond    (  7.584,  -6.522,   1.280)  (  7.590,  -6.517,   1.281)  ( 0.08,  0.07,  0.06)
179:     angle   ( -6.868,  -3.074,   6.963)  ( -6.866,  -3.072,   6.964)  ( 0.03,  0.07,  0.01)
179:     strbnd  ( -1.384,   3.697,  -1.135)  ( -1.385,   3.696,  -1.136)  ( 0.05,  0.02,  0.01)
179:     torsion (  0.914,  -1.383,  -5.636)  (  0.914,  -1.383,  -5.635)  ( 0.00,  0.01,  0.01)
179:     oop     ( -0.133,   0.235,   0.708)  ( -0.112,   0.195,   0.591)  ( 0.28,  0.92,  8.29)
179:     vdw     ( -1.168,   4.392,  -3.048)  ( -1.168,   4.393,  -3.048)  ( 0.00,  0.00,  0.00)
179:     electro (  0.281,   0.705,   0.237)  (  0.281,   0.705,   0.237)  ( 0.00,  0.00,  0.00)
179: 10       ( -0.880,  -1.134,   0.021)  ( -0.875,  -1.120,   0.038)  ( 0.42,  1.22,  0.04)
179:     bond    (  2.250, -21.552,   7.812)  (  2.255, -21.547,   7.813)  ( 0.22,  0.02,  0.01)
179:     angle   (  0.157,  10.838,  -3.791)  (  0.158,  10.840,  -3.791)  ( 0.02,  0.02,  0.01)
179:     strbnd  ( -4.774,   3.240,  -1.394)  ( -4.774,   3.239,  -1.394)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.412,   1.059,   3.327)  ( -0.412,   1.059,   3.328)  ( 0.00,  0.02,  0.04)
179:     oop     (  0.001,  -0.020,  -0.019)  ( -0.000,  -0.013,  -0.004)  ( 0.00,  0.01,  0.03)
179:     vdw     (  1.632,   4.936,  -5.898)  (  1.632,   4.937,  -5.898)  ( 0.01,  0.01,  0.00)
179:     electro (  0.267,   0.365,  -0.016)  (  0.267,   0.365,  -0.016)  ( 0.00,  0.00,  0.00)
179: 11       ( -0.274,  -0.454,  -0.157)  ( -0.317,  -0.358,  -0.074)  ( 1.19,  4.38,  1.30)
179:     bond    (-16.382,  -5.258,  -0.908)  (-16.377,  -5.253,  -0.907)  ( 0.03,  0.09,  0.07)
179:     angle   (-11.115,   1.090,   2.569)  (-11.112,   1.092,   2.569)  ( 0.02,  0.19,  0.01)
179:     strbnd  ( 22.133,   1.950,   2.757)  ( 22.132,   1.949,   2.757)  ( 0.00,  0.03,  0.00)
179:     torsion ( -0.093,   0.026,  -1.627)  ( -0.093,   0.026,  -1.626)  ( 0.00,  0.00,  0.06)
179:     oop     (  0.396,  -0.643,  -0.208)  (  0.346,  -0.553,  -0.127)  ( 2.00,  5.78,  1.67)
179:     vdw     (  4.671,   2.284,  -2.768)  (  4.672,   2.284,  -2.768)  ( 0.00,  0.00,  0.00)
179:     electro (  0.115,   0.097,   0.028)  (  0.115,   0.097,   0.028)  ( 0.00,  0.00,  0.00)
179: 12       ( -0.438,   1.369,  -0.101)  ( -0.434,   1.364,  -0.123)  ( 0.17,  0.40,  0.22)
179:     bond    ( -0.083,  -1.551,   0.585)  ( -0.083,  -1.548,   0.586)  ( 0.00,  0.21,  0.03)
179:     angle   ( -2.409,   0.039,  -0.237)  ( -2.408,   0.039,  -0.237)  ( 0.03,  0.00,  0.00)
179:     strbnd  (  0.317,   2.635,  -1.018)  (  0.317,   2.635,  -1.018)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.335,   0.971,   2.518)  ( -0.335,   0.971,   2.518)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.020,   0.060,   0.155)  ( -0.017,   0.051,   0.132)  ( 0.01,  0.05,  0.36)
179:     vdw     (  1.947,  -0.339,  -2.146)  (  1.947,  -0.339,  -2.146)  ( 0.01,  0.00,  0.00)
179:     electro (  0.146,  -0.445,   0.041)  (  0.146,  -0.445,   0.041)  ( 0.00,  0.00,  0.00)
179: 13       (  1.701,   2.579,  -0.525)  (  1.727,   2.539,  -0.665)  ( 1.54,  1.55,  7.37)
179:     bond    (-10.578,  16.134,  -6.570)  (-10.572,  16.139,  -6.569)  ( 0.06,  0.03,  0.01)
179:     angle   (  3.774,  -9.877,   3.575)  (  3.776,  -9.875,   3.575)  ( 0.06,  0.02,  0.00)
179:     strbnd  (  6.607,   8.014,  -1.786)  (  6.607,   8.014,  -1.786)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.139,  -0.606,  -1.888)  (  0.139,  -0.606,  -1.887)  ( 0.00,  0.01,  0.06)
179:     oop     ( -0.104,   0.267,   0.810)  ( -0.086,   0.220,   0.668)  ( 0.18,  1.25, 11.54)
179:     vdw     (  2.473, -10.532,   5.124)  (  2.473, -10.532,   5.124)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.611,  -0.821,   0.209)  ( -0.611,  -0.821,   0.209)  ( 0.00,  0.00,  0.00)
179: 14       (  0.986,   0.151,  -0.043)  (  0.987,   0.154,  -0.045)  ( 0.11,  0.04,  0.01)
179:     bond    (  0.027,   1.931,  -0.640)  (  0.027,   1.934,  -0.640)  ( 0.00,  0.18,  0.02)
179:     angle   ( -2.454,  -0.061,  -0.290)  ( -2.454,  -0.061,  -0.290)  ( 0.03,  0.00,  0.00)
179:     strbnd  ( -0.157,  -0.599,   0.177)  ( -0.157,  -0.599,   0.177)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.008,  -0.021,  -0.062)  (  0.008,  -0.021,  -0.062)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.002,   0.005,   0.014)  ( -0.001,   0.004,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.894,  -1.054,   0.744)  (  3.894,  -1.054,   0.744)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.330,  -0.049,   0.015)  ( -0.330,  -0.049,   0.015)  ( 0.00,  0.00,  0.00)
179: 15       ( -0.314,   0.296,   0.066)  ( -0.314,   0.306,   0.088)  ( 0.02,  0.27,  0.15)
179:     bond    (  0.221,  -0.141,   0.077)  (  0.224,  -0.139,   0.077)  ( 0.07,  0.02,  0.00)
179:     angle   (  4.781,   6.809,  -1.605)  (  4.781,   6.810,  -1.605)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -0.896,   1.110,  -0.480)  ( -0.896,   1.110,  -0.480)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.065,  -0.159,  -0.479)  (  0.065,  -0.159,  -0.479)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.019,  -0.046,  -0.139)  (  0.016,  -0.039,  -0.117)  ( 0.01,  0.03,  0.30)
179:     vdw     ( -4.637,  -7.161,   2.713)  ( -4.637,  -7.161,   2.713)  ( 0.00,  0.00,  0.00)
179:     electro (  0.133,  -0.115,  -0.022)  (  0.133,  -0.115,  -0.022)  ( 0.00,  0.00,  0.00)
179: 16       ( 12.569,   0.466,   4.456)  ( 12.606,   0.357,   4.669)  ( 0.29,  5.06,  4.80)
179:     bond    ( 11.932,   3.001,  15.852)  ( 11.937,   3.005,  15.854)  ( 0.04,  0.13,  0.01)
179:     angle   ( 23.478,  14.321,  -5.626)  ( 23.480,  14.322,  -5.625)  ( 0.01,  0.01,  0.02)
179:     strbnd  (-17.338, -10.628,  -0.306)  (-17.339, -10.629,  -0.306)  ( 0.01,  0.01,  0.01)
179:     torsion (  2.457,  -3.717,  -2.036)  (  2.457,  -3.717,  -2.036)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.175,   1.180,  -2.156)  ( -0.144,   1.066,  -1.945)  ( 0.54,  9.63,  9.80)
179:     vdw     ( -3.584,  -3.576,   0.274)  ( -3.584,  -3.576,   0.274)  ( 0.00,  0.00,  0.00)
179:     electro ( -4.202,  -0.115,  -1.547)  ( -4.202,  -0.115,  -1.547)  ( 0.00,  0.00,  0.00)
179: 17       ( -0.127,  -0.381,   0.161)  ( -0.130,  -0.361,   0.202)  ( 0.04,  0.77,  0.67)
179:     bond    ( -1.611,  -0.017,   3.957)  ( -1.609,  -0.012,   3.962)  ( 0.12,  0.01,  0.12)
179:     angle   (  6.180,   1.067,  -5.100)  (  6.182,   1.069,  -5.098)  ( 0.03,  0.17,  0.04)
179:     strbnd  (  0.100,  -7.392,   3.328)  (  0.099,  -7.392,   3.327)  ( 0.00,  0.01,  0.03)
179:     torsion (  0.098,  -0.377,   0.788)  (  0.098,  -0.377,   0.788)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.041,  -0.083,  -0.211)  (  0.034,  -0.069,  -0.175)  ( 0.03,  0.12,  0.75)
179:     vdw     ( -4.964,   6.311,  -2.568)  ( -4.963,   6.311,  -2.568)  ( 0.00,  0.00,  0.00)
179:     electro (  0.029,   0.109,  -0.034)  (  0.029,   0.109,  -0.034)  ( 0.00,  0.00,  0.00)
179: 18       (  2.026,   0.720,  -0.162)  (  2.029,   0.721,  -0.163)  ( 0.15,  0.06,  0.02)
179:     bond    (  2.427,  -1.578,   1.180)  (  2.429,  -1.577,   1.181)  ( 0.09,  0.06,  0.04)
179:     angle   (  0.938,   1.300,  -0.193)  (  0.938,   1.300,  -0.193)  ( 0.02,  0.03,  0.00)
179:     strbnd  (  0.253,   0.443,  -0.086)  (  0.253,   0.443,  -0.086)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.194,   0.249,   0.730)  ( -0.194,   0.249,   0.731)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.004,   0.005,   0.016)  ( -0.004,   0.005,   0.014)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.726,   0.545,  -1.869)  ( -0.726,   0.545,  -1.869)  ( 0.01,  0.01,  0.00)
179:     electro ( -0.668,  -0.244,   0.060)  ( -0.668,  -0.244,   0.060)  ( 0.00,  0.00,  0.00)
179: 19       (  2.870,   0.328,  -1.984)  (  2.869,   0.381,  -2.042)  ( 0.04,  1.74,  2.90)
179:     bond    ( 14.557,  -7.075, -16.796)  ( 14.561,  -7.071, -16.792)  ( 0.03,  0.06,  0.03)
179:     angle   ( -6.287,   1.336,   9.984)  ( -6.284,   1.338,   9.986)  ( 0.04,  0.15,  0.02)
179:     strbnd  ( -1.105,  -2.672,   1.853)  ( -1.106,  -2.672,   1.852)  ( 0.07,  0.04,  0.04)
179:     torsion ( -2.492,   2.882,  -3.676)  ( -2.492,   2.882,  -3.676)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.033,  -0.539,   0.714)  (  0.027,  -0.492,   0.651)  ( 0.02,  2.58,  4.51)
179:     vdw     ( -0.883,   6.505,   5.249)  ( -0.883,   6.505,   5.250)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.953,  -0.110,   0.686)  ( -0.953,  -0.110,   0.686)  ( 0.00,  0.00,  0.00)
179: 20       (  1.141,   5.323,  -0.149)  (  1.157,   5.345,  -0.248)  ( 1.36,  0.42,  1.47)
179:     bond    ( -3.175,  21.247,  -4.289)  ( -3.171,  21.251,  -4.285)  ( 0.12,  0.02,  0.11)
179:     angle   ( -1.211, -12.477,   2.194)  ( -1.209, -12.475,   2.196)  ( 0.17,  0.02,  0.08)
179:     strbnd  ( -3.415,  -1.229,   2.715)  ( -3.416,  -1.230,   2.715)  ( 0.04,  0.07,  0.01)
179:     torsion ( -0.125,   0.194,   3.424)  ( -0.125,   0.195,   3.424)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.155,  -0.246,   0.892)  ( -0.144,  -0.229,   0.787)  ( 0.17,  0.40,  9.32)
179:     vdw     (  9.608,  -0.387,  -5.167)  (  9.608,  -0.387,  -5.167)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.385,  -1.779,   0.082)  ( -0.385,  -1.779,   0.082)  ( 0.00,  0.00,  0.00)
179: 21       ( -0.002,  -0.008,  -0.022)  (  0.000,  -0.007,  -0.021)  ( 0.00,  0.00,  0.00)
179:     bond    (  1.613,  -1.085,   0.142)  (  1.615,  -1.084,   0.142)  ( 0.14,  0.10,  0.00)
179:     angle   ( -3.259,  -5.157,  -2.297)  ( -3.259,  -5.157,  -2.296)  ( 0.01,  0.01,  0.02)
179:     strbnd  ( -0.614,   0.250,  -1.435)  ( -0.614,   0.250,  -1.435)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.085,   0.141,   0.107)  (  0.085,   0.141,   0.107)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.173,   5.843,   3.461)  (  2.173,   5.843,   3.461)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (  0.001,   0.003,  -0.029)  (  0.002,   0.004,  -0.025)  ( 0.00,  0.00,  0.01)
179:     bond    ( -0.285,   1.036,  -3.315)  ( -0.285,   1.036,  -3.312)  ( 0.00,  0.03,  0.09)
179:     angle   (  0.181,  -1.068,  -0.350)  (  0.182,  -1.067,  -0.350)  ( 0.01,  0.05,  0.00)
179:     strbnd  (  0.973,  -1.118,   0.103)  (  0.973,  -1.118,   0.103)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.351,  -0.744,  -0.263)  (  0.351,  -0.744,  -0.263)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.220,   1.896,   3.796)  ( -1.220,   1.896,   3.796)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( -0.564,  -2.361,  -0.607)  ( -0.559,  -2.355,  -0.601)  ( 0.27,  0.24,  0.37)
179:     bond    ( -3.127, -17.812,   3.460)  ( -3.123, -17.808,   3.465)  ( 0.13,  0.02,  0.13)
179:     angle   (  0.202,   7.188,  -7.171)  (  0.204,   7.190,  -7.169)  ( 0.04,  0.03,  0.02)
179:     strbnd  (  3.369,  -1.380,  -2.585)  (  3.367,  -1.380,  -2.585)  ( 0.04,  0.05,  0.01)
179:     torsion ( -0.244,   1.380,   2.916)  ( -0.244,   1.381,   2.917)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.952,   7.510,   2.573)  ( -0.952,   7.510,   2.573)  ( 0.00,  0.00,  0.00)
179:     electro (  0.189,   0.752,   0.199)  (  0.189,   0.752,   0.199)  ( 0.00,  0.00,  0.00)
179: 24       (  0.007,  -0.018,  -0.003)  (  0.008,  -0.016,  -0.001)  ( 0.00,  0.00,  0.00)
179:     bond    (  0.060,   1.792,   1.597)  (  0.060,   1.794,   1.599)  ( 0.00,  0.10,  0.09)
179:     angle   ( -3.575,  -1.364,   1.663)  ( -3.575,  -1.363,   1.664)  ( 0.02,  0.02,  0.02)
179:     strbnd  ( -0.521,   0.527,  -1.117)  ( -0.521,   0.527,  -1.117)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.187,  -0.049,   0.048)  (  0.187,  -0.049,   0.048)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.856,  -0.925,  -2.194)  (  3.857,  -0.925,  -2.194)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       ( -2.189,   0.946,   0.748)  ( -2.183,   0.951,   0.754)  ( 0.26,  0.50,  0.41)
179:     bond    (-13.633,   0.941,  12.416)  (-13.629,   0.945,  12.421)  ( 0.03,  0.39,  0.04)
179:     angle   (  2.350,   2.416,  -9.408)  (  2.353,   2.418,  -9.406)  ( 0.09,  0.08,  0.02)
179:     strbnd  (  0.055,   4.163,  -0.501)  (  0.054,   4.162,  -0.502)  ( 0.00,  0.03,  0.04)
179:     torsion (  2.065,  -2.248,   1.183)  (  2.065,  -2.248,   1.183)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.223,  -3.991,  -2.667)  (  6.223,  -3.991,  -2.667)  ( 0.00,  0.00,  0.00)
179:     electro (  0.752,  -0.335,  -0.274)  (  0.752,  -0.335,  -0.274)  ( 0.00,  0.00,  0.00)
179: 26       ( -0.004,  -0.009,   0.017)  ( -0.004,  -0.008,   0.020)  ( 0.00,  0.00,  0.01)
179:     bond    ( -0.508,   1.114,  -2.671)  ( -0.508,   1.115,  -2.668)  ( 0.01,  0.04,  0.10)
179:     angle   ( -3.386,  -1.138,   0.169)  ( -3.386,  -1.138,   0.170)  ( 0.02,  0.04,  0.00)
179:     strbnd  ( -0.285,   1.027,   0.757)  ( -0.285,   1.027,   0.757)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.469,   0.506,   0.301)  ( -0.469,   0.506,   0.301)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.645,  -1.519,   1.461)  (  4.645,  -1.518,   1.461)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       (-12.122,  -7.423,  -2.247)  (-12.117,  -7.418,  -2.244)  ( 0.05,  0.07,  0.13)
179:     bond    (-15.148,  -5.941, -10.039)  (-15.143,  -5.937, -10.037)  ( 0.03,  0.08,  0.02)
179:     angle   ( -5.200,  -8.059,   8.744)  ( -5.198,  -8.058,   8.745)  ( 0.03,  0.02,  0.02)
179:     strbnd  ( -1.543,  -1.202,   1.549)  ( -1.544,  -1.203,   1.548)  ( 0.04,  0.04,  0.03)
179:     torsion ( -0.831,   0.963,  -3.227)  ( -0.831,   0.963,  -3.226)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.577,   4.313,  -0.037)  (  6.577,   4.313,  -0.037)  ( 0.00,  0.00,  0.00)
179:     electro (  4.023,   2.503,   0.763)  (  4.023,   2.503,   0.763)  ( 0.00,  0.00,  0.00)
179: 28       (  0.001,   0.014,  -0.042)  (  0.002,   0.015,  -0.039)  ( 0.00,  0.00,  0.01)
179:     bond    (  0.463,  -1.202,   2.694)  (  0.464,  -1.202,   2.697)  ( 0.00,  0.05,  0.10)
179:     angle   (  0.035,  -0.321,  -0.149)  (  0.036,  -0.320,  -0.149)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -0.222,  -0.567,  -1.132)  ( -0.222,  -0.567,  -1.132)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.438,  -1.586,  -0.782)  (  0.438,  -1.586,  -0.782)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.714,   3.690,  -0.674)  ( -0.714,   3.690,  -0.674)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       (  0.008,   0.030,   0.008)  (  0.008,   0.032,   0.009)  ( 0.00,  0.01,  0.00)
179:     bond    ( -0.087,  -1.217,  -1.051)  ( -0.087,  -1.215,  -1.050)  ( 0.00,  0.16,  0.14)
179:     angle   ( -0.252,   0.112,  -0.110)  ( -0.251,   0.113,  -0.110)  ( 0.02,  0.00,  0.00)
179:     strbnd  (  0.115,   0.045,   1.331)  (  0.115,   0.045,   1.331)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.210,   0.236,  -0.255)  ( -0.210,   0.236,  -0.255)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.441,   0.855,   0.093)  (  0.441,   0.855,   0.093)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       ( -0.057,   0.017,   0.002)  ( -0.054,   0.018,   0.002)  ( 0.02,  0.00,  0.00)
179:     bond    ( -1.435,   0.851,  -0.093)  ( -1.433,   0.852,  -0.093)  ( 0.17,  0.08,  0.00)
179:     angle   ( -0.122,  -0.244,  -0.343)  ( -0.122,  -0.243,  -0.342)  ( 0.00,  0.01,  0.02)
179:     strbnd  (  0.598,  -0.582,   1.034)  (  0.598,  -0.582,   1.034)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.027,  -0.078,  -0.298)  ( -0.027,  -0.078,  -0.297)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.930,   0.070,  -0.299)  (  0.930,   0.070,  -0.299)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       (  0.005,  -0.020,   0.028)  (  0.006,  -0.019,   0.031)  ( 0.00,  0.00,  0.01)
179:     bond    (  0.312,  -0.902,   2.849)  (  0.312,  -0.902,   2.852)  ( 0.00,  0.03,  0.11)
179:     angle   ( -0.502,   0.107,   0.089)  ( -0.501,   0.107,   0.089)  ( 0.03,  0.01,  0.00)
179:     strbnd  ( -0.940,   0.677,  -0.469)  ( -0.940,   0.677,  -0.469)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.235,   1.160,   0.502)  ( -1.235,   1.160,   0.502)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.370,  -1.062,  -2.942)  (  2.370,  -1.062,  -2.942)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       (  0.594,   0.396,   0.458)  (  0.597,   0.399,   0.458)  ( 0.16,  0.09,  0.04)
179:     bond    ( -0.021,  -0.018,   0.009)  ( -0.019,  -0.016,   0.009)  ( 0.00,  0.00,  0.00)
179:     angle   ( -0.160,   0.222,   0.062)  ( -0.160,   0.222,   0.062)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -0.521,   0.030,  -0.937)  ( -0.521,   0.030,  -0.938)  ( 0.00,  0.00,  0.01)
179:     torsion (  0.592,  -0.069,   1.057)  (  0.592,  -0.069,   1.057)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.902,   0.369,   0.423)  (  0.902,   0.369,   0.423)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.197,  -0.138,  -0.156)  ( -0.197,  -0.138,  -0.156)  ( 0.00,  0.00,  0.00)
179: 33       ( 11.993,  -9.102,   3.831)  ( 12.004,  -9.096,   3.748)  ( 0.09,  0.07,  2.16)
179:     bond    ( -1.616,  -9.765,   0.189)  ( -1.616,  -9.756,   0.189)  ( 0.01,  0.10,  0.00)
179:     angle   ( 20.636,  -3.367,   2.623)  ( 20.637,  -3.367,   2.623)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  0.680,   2.049,   0.006)  (  0.680,   2.049,   0.006)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.339,   0.113,   2.931)  ( -0.339,   0.113,   2.931)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.045,   0.015,   0.377)  ( -0.035,   0.012,   0.294)  ( 0.04,  0.00,  3.13)
179:     vdw     ( -3.314,  -1.163,  -1.055)  ( -3.314,  -1.163,  -1.055)  ( 0.00,  0.00,  0.00)
179:     electro ( -4.008,   3.016,  -1.242)  ( -4.008,   3.016,  -1.242)  ( 0.00,  0.00,  0.00)
179: 34       ( -0.062,  -2.957,   1.492)  ( -0.051,  -2.954,   1.456)  ( 0.07,  0.11,  2.40)
179:     bond    ( -3.927,   2.786,  -0.594)  ( -3.921,   2.789,  -0.594)  ( 0.15,  0.13,  0.00)
179:     angle   ( 16.132,  -2.853,   2.371)  ( 16.132,  -2.852,   2.372)  ( 0.00,  0.05,  0.01)
179:     strbnd  ( -0.845,   3.072,  -0.258)  ( -0.845,   3.072,  -0.258)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.144,  -0.049,  -1.174)  (  0.144,  -0.049,  -1.173)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.036,   0.013,   0.294)  ( -0.031,   0.011,   0.258)  ( 0.02,  0.00,  1.06)
179:     vdw     (-11.558,  -6.965,   1.339)  (-11.558,  -6.965,   1.339)  ( 0.00,  0.00,  0.00)
179:     electro (  0.027,   1.039,  -0.487)  (  0.027,   1.039,  -0.487)  ( 0.00,  0.00,  0.00)
179: 35       ( -7.756,   8.365,  -1.689)  ( -7.753,   8.368,  -1.689)  ( 0.05,  0.03,  0.01)
179:     bond    (  0.234,   0.187,   0.015)  (  0.238,   0.189,   0.015)  ( 0.08,  0.04,  0.00)
179:     angle   ( -9.135,  11.640,  -1.684)  ( -9.135,  11.640,  -1.684)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -1.252,  -0.773,  -0.092)  ( -1.252,  -0.773,  -0.092)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.050,  -0.027,  -0.452)  (  0.050,  -0.027,  -0.452)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.204,   0.155,  -0.034)  ( -0.204,   0.155,  -0.034)  ( 0.00,  0.00,  0.00)
179:     electro (  2.552,  -2.816,   0.559)  (  2.552,  -2.816,   0.559)  ( 0.00,  0.00,  0.00)
179: 36       ( -0.111,   1.138,   0.003)  ( -0.104,   1.142,   0.008)  ( 0.07,  0.35,  0.00)
179:     bond    (  1.340,  -4.011,  -2.272)  (  1.346,  -4.008,  -2.268)  ( 0.45,  0.07,  0.18)
179:     angle   ( -1.289,   0.664,   1.982)  ( -1.288,   0.666,   1.984)  ( 0.08,  0.10,  0.10)
179:     strbnd  (  0.232,  -0.792,   0.487)  (  0.231,  -0.793,   0.486)  ( 0.02,  0.03,  0.03)
179:     torsion ( -1.155,   0.195,  -0.282)  ( -1.155,   0.195,  -0.282)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.717,   5.471,   0.093)  (  0.717,   5.471,   0.093)  ( 0.00,  0.00,  0.00)
179:     electro (  0.045,  -0.389,  -0.005)  (  0.045,  -0.389,  -0.005)  ( 0.00,  0.00,  0.00)
179: 37       ( -0.129,   0.971,   0.072)  ( -0.124,   0.976,   0.078)  ( 0.06,  0.47,  0.05)
179:     bond    (  1.435,  -3.700,  -1.718)  (  1.438,  -3.696,  -1.713)  ( 0.27,  0.10,  0.31)
179:     angle   (  0.328,   0.545,   0.556)  (  0.329,   0.546,   0.558)  ( 0.03,  0.08,  0.12)
179:     strbnd  ( -0.069,  -0.300,   0.440)  ( -0.069,  -0.301,   0.439)  ( 0.00,  0.01,  0.04)
179:     torsion (  0.956,   0.601,   0.479)  (  0.956,   0.601,   0.479)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.832,   4.136,   0.355)  ( -2.832,   4.136,   0.355)  ( 0.00,  0.00,  0.00)
179:     electro (  0.053,  -0.310,  -0.040)  (  0.053,  -0.310,  -0.040)  ( 0.00,  0.00,  0.00)
179: 38       (  0.456,  -0.099,   0.104)  (  0.457,  -0.097,   0.106)  ( 0.05,  0.01,  0.02)
179:     bond    (  0.435,  -0.767,   0.899)  (  0.435,  -0.766,   0.901)  ( 0.02,  0.11,  0.17)
179:     angle   (  0.496,   0.229,  -0.045)  (  0.496,   0.229,  -0.045)  ( 0.03,  0.00,  0.00)
179:     strbnd  ( -0.157,   0.213,  -0.446)  ( -0.157,   0.213,  -0.446)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.563,  -0.012,  -0.282)  (  0.563,  -0.012,  -0.283)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.724,   0.200,   0.015)  ( -0.724,   0.200,   0.015)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.156,   0.039,  -0.036)  ( -0.156,   0.039,  -0.036)  ( 0.00,  0.00,  0.00)
179: 39       (  0.251,   0.090,  -0.113)  (  0.254,   0.090,  -0.111)  ( 0.05,  0.01,  0.02)
179:     bond    (  0.863,   0.325,  -0.866)  (  0.864,   0.325,  -0.865)  ( 0.15,  0.01,  0.15)
179:     angle   (  0.432,  -1.789,  -0.241)  (  0.433,  -1.789,  -0.241)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -0.148,  -0.179,   0.111)  ( -0.148,  -0.179,   0.111)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.500,  -0.248,   0.406)  (  0.500,  -0.248,   0.406)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.310,   2.013,   0.436)  ( -1.310,   2.013,   0.436)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.085,  -0.032,   0.042)  ( -0.085,  -0.032,   0.042)  ( 0.00,  0.00,  0.00)
179: 40       ( -0.318,  -0.258,  -0.145)  ( -0.317,  -0.256,  -0.144)  ( 0.04,  0.05,  0.02)
179:     bond    ( -0.592,  -0.813,   0.455)  ( -0.591,  -0.811,   0.456)  ( 0.06,  0.16,  0.03)
179:     angle   ( -0.349,   0.064,  -0.339)  ( -0.348,   0.064,  -0.339)  ( 0.01,  0.00,  0.02)
179:     strbnd  (  0.254,   0.177,  -0.194)  (  0.254,   0.177,  -0.194)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.231,  -0.135,  -0.540)  ( -0.231,  -0.135,  -0.540)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.504,   0.376,   0.413)  (  0.504,   0.376,   0.413)  ( 0.00,  0.00,  0.00)
179:     electro (  0.096,   0.073,   0.060)  (  0.096,   0.073,   0.060)  ( 0.00,  0.00,  0.00)
179: 41       ( -0.173,   0.248,  -0.228)  ( -0.172,   0.248,  -0.225)  ( 0.01,  0.01,  0.08)
179:     bond    ( -0.265,   0.213,  -1.387)  ( -0.265,   0.213,  -1.384)  ( 0.00,  0.00,  0.25)
179:     angle   ( -0.002,  -0.794,  -0.122)  ( -0.001,  -0.793,  -0.122)  ( 0.00,  0.04,  0.00)
179:     strbnd  (  0.104,  -0.149,   0.254)  (  0.104,  -0.149,   0.254)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.534,  -0.473,   0.029)  ( -0.534,  -0.473,   0.029)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.465,   1.537,   0.914)  (  0.465,   1.537,   0.914)  ( 0.00,  0.00,  0.00)
179:     electro (  0.059,  -0.086,   0.083)  (  0.059,  -0.086,   0.083)  ( 0.00,  0.00,  0.00)
179: 42       ( -0.367,   0.133,   0.950)  ( -0.366,   0.134,   0.953)  ( 0.02,  0.01,  0.31)
179:     bond    ( -1.424,  -0.121,   4.422)  ( -1.424,  -0.120,   4.425)  ( 0.03,  0.00,  0.07)
179:     angle   (  0.750,  -1.072,   0.212)  (  0.750,  -1.071,   0.212)  ( 0.02,  0.08,  0.00)
179:     strbnd  (  0.500,  -0.190,  -1.471)  (  0.500,  -0.190,  -1.471)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.246,   0.662,  -0.061)  ( -0.246,   0.662,  -0.061)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.074,   0.895,  -1.822)  ( -0.074,   0.895,  -1.822)  ( 0.00,  0.00,  0.00)
179:     electro (  0.127,  -0.042,  -0.330)  (  0.127,  -0.042,  -0.330)  ( 0.00,  0.00,  0.00)
179: ok 24 # gradients 
179: ok 25 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       ( -0.279,  -0.003,   0.123)  ( -0.272,   0.001,   0.128)  ( 0.21,  0.00,  0.06)
179:     bond    (  0.405,   3.441,   0.242)  (  0.412,   3.445,   0.242)  ( 0.28,  0.13,  0.00)
179:     angle   ( -0.409,   0.650,  -0.195)  ( -0.408,   0.652,  -0.195)  ( 0.06,  0.11,  0.00)
179:     strbnd  ( -0.322,  -4.041,  -0.254)  ( -0.322,  -4.042,  -0.254)  ( 0.01,  0.03,  0.00)
179:     torsion ( -0.032,  -0.018,   0.320)  ( -0.032,  -0.018,   0.321)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.002,   0.001,  -0.014)  (  0.001,   0.001,  -0.011)  ( 0.00,  0.00,  0.01)
179:     vdw     ( -0.047,  -0.020,  -0.019)  ( -0.047,  -0.020,  -0.019)  ( 0.00,  0.00,  0.00)
179:     electro (  0.124,  -0.017,   0.043)  (  0.124,  -0.017,   0.043)  ( 0.00,  0.00,  0.00)
179:  2       (  0.100,  -0.168,  -0.063)  (  0.104,  -0.161,  -0.045)  ( 0.04,  0.12,  0.11)
179:     bond    (  3.541,  -2.137,   0.264)  (  3.546,  -2.131,   0.265)  ( 0.15,  0.30,  0.00)
179:     angle   (  1.746,   1.275,   0.298)  (  1.748,   1.277,   0.298)  ( 0.10,  0.14,  0.00)
179:     strbnd  ( -2.090,   1.285,  -0.146)  ( -2.091,   1.285,  -0.146)  ( 0.05,  0.01,  0.00)
179:     torsion (  0.033,   0.016,  -0.297)  (  0.034,   0.016,  -0.296)  ( 0.00,  0.00,  0.04)
179:     oop     (  0.010,   0.005,  -0.088)  (  0.009,   0.004,  -0.072)  ( 0.00,  0.00,  0.14)
179:     vdw     ( -3.041,  -0.539,  -0.132)  ( -3.041,  -0.539,  -0.132)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.101,  -0.072,   0.038)  ( -0.101,  -0.072,   0.038)  ( 0.00,  0.00,  0.00)
179:  3       ( -1.433,   0.619,   0.080)  ( -1.416,   0.635,  -0.042)  ( 1.17,  0.98,  0.97)
179:     bond    ( 10.808,   8.532,   1.851)  ( 10.812,   8.538,   1.851)  ( 0.04,  0.07,  0.01)
179:     angle   ( -1.280, -12.576,  -1.628)  ( -1.278, -12.574,  -1.628)  ( 0.16,  0.02,  0.03)
179:     strbnd  ( -2.662,  -2.231,  -0.989)  ( -2.662,  -2.232,  -0.989)  ( 0.02,  0.03,  0.01)
179:     torsion ( -0.153,   0.061,   1.120)  ( -0.153,   0.061,   1.121)  ( 0.00,  0.00,  0.09)
179:     oop     ( -0.073,  -0.051,   0.782)  ( -0.062,  -0.043,   0.659)  ( 0.08,  0.04,  9.60)
179:     vdw     ( -8.513,   7.070,  -1.049)  ( -8.513,   7.070,  -1.049)  ( 0.00,  0.00,  0.00)
179:     electro (  0.441,  -0.186,  -0.007)  (  0.441,  -0.186,  -0.007)  ( 0.00,  0.00,  0.00)
179:  4       (  2.087,   0.080,  -0.569)  (  2.064,   0.060,  -0.243)  ( 1.08,  0.16, 18.58)
179:     bond    ( 20.270,  -4.350,   1.475)  ( 20.275,  -4.343,   1.476)  ( 0.02,  0.15,  0.01)
179:     angle   ( 12.458,  12.739,   3.115)  ( 12.460,  12.741,   3.115)  ( 0.02,  0.01,  0.01)
179:     strbnd  (-17.883,  -3.513,  -1.809)  (-17.884,  -3.514,  -1.809)  ( 0.01,  0.03,  0.00)
179:     torsion (  0.036,   0.065,  -1.684)  (  0.036,   0.065,  -1.683)  ( 0.00,  0.00,  0.04)
179:     oop     (  0.171,   0.149,  -1.871)  (  0.143,   0.122,  -1.545)  ( 0.48,  0.40, 17.39)
179:     vdw     (-12.241,  -4.949,   0.142)  (-12.241,  -4.949,   0.142)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.725,  -0.061,   0.062)  ( -0.725,  -0.061,   0.062)  ( 0.00,  0.00,  0.00)
179:  5       ( -2.687,  -1.178,   0.039)  ( -2.683,  -1.173,   0.054)  ( 0.13,  0.48,  0.06)
179:     bond    (  1.518, -21.327,  -9.249)  (  1.522, -21.323,  -9.244)  ( 0.25,  0.02,  0.05)
179:     angle   ( -8.489,  14.472,   7.087)  ( -8.487,  14.475,   7.088)  ( 0.02,  0.02,  0.02)
179:     strbnd  ( 11.557,   1.653,   2.302)  ( 11.556,   1.652,   2.302)  ( 0.01,  0.05,  0.02)
179:     torsion ( -0.182,   0.061,  -1.411)  ( -0.182,   0.061,  -1.410)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.005,   0.003,  -0.040)  (  0.004,   0.002,  -0.031)  ( 0.00,  0.00,  0.04)
179:     vdw     ( -7.969,   3.574,   1.404)  ( -7.968,   3.574,   1.404)  ( 0.00,  0.00,  0.00)
179:     electro (  0.873,   0.387,  -0.055)  (  0.873,   0.387,  -0.055)  ( 0.00,  0.00,  0.00)
179:  6       (  0.018,  -0.397,   0.001)  (  0.029,  -0.386,  -0.079)  ( 0.02,  0.42,  0.01)
179:     bond    ( -9.999,  -4.566,  -1.383)  ( -9.996,  -4.563,  -1.383)  ( 0.03,  0.06,  0.00)
179:     angle   (  0.723,  -4.226,  -0.076)  (  0.723,  -4.225,  -0.077)  ( 0.04,  0.03,  0.00)
179:     strbnd  ( 12.551,   6.889,   1.807)  ( 12.551,   6.889,   1.807)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.080,   0.020,  -0.668)  (  0.080,   0.020,  -0.667)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.057,  -0.045,   0.532)  ( -0.048,  -0.038,   0.452)  ( 0.05,  0.03,  4.28)
179:     vdw     ( -3.283,   1.455,  -0.244)  ( -3.283,   1.455,  -0.244)  ( 0.00,  0.00,  0.00)
179:     electro (  0.002,   0.077,   0.032)  (  0.002,   0.077,   0.032)  ( 0.00,  0.00,  0.00)
179:  7       (  3.021,   6.551,  -0.598)  (  3.026,   6.556,  -0.596)  ( 0.16,  0.08,  0.15)
179:     bond    ( 10.203,   5.616,  25.277)  ( 10.207,   5.620,  25.278)  ( 0.04,  0.07,  0.00)
179:     angle   (-14.427,   4.571, -29.699)  (-14.425,   4.572, -29.697)  ( 0.01,  0.03,  0.01)
179:     strbnd  (  1.147,  -1.228,  -0.703)  (  1.146,  -1.229,  -0.703)  ( 0.05,  0.04,  0.03)
179:     torsion (  1.193,  -0.605,  -0.282)  (  1.193,  -0.605,  -0.282)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.912,   0.367,   4.636)  (  5.912,   0.367,   4.636)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.008,  -2.170,   0.172)  ( -1.008,  -2.170,   0.172)  ( 0.00,  0.00,  0.00)
179:  8       ( -0.124,  -0.019,  -0.296)  ( -0.123,  -0.017,  -0.295)  ( 0.01,  0.01,  0.03)
179:     bond    ( -0.019,  -0.836,   0.410)  ( -0.019,  -0.833,   0.411)  ( 0.00,  0.23,  0.03)
179:     angle   (  4.770,  -0.609,  -1.012)  (  4.771,  -0.609,  -1.012)  ( 0.01,  0.01,  0.04)
179:     strbnd  (  0.249,   0.128,  -1.740)  (  0.249,   0.128,  -1.740)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.173,  -0.083,  -0.176)  ( -0.173,  -0.083,  -0.176)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.951,   1.380,   2.222)  ( -4.951,   1.380,   2.222)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       ( -0.069,   0.131,  -0.224)  ( -0.068,   0.132,  -0.221)  ( 0.01,  0.01,  0.07)
179:     bond    ( -0.548,  -0.489,  -3.470)  ( -0.548,  -0.489,  -3.467)  ( 0.01,  0.00,  0.09)
179:     angle   (  2.634,  -1.083,  -0.264)  (  2.635,  -1.082,  -0.264)  ( 0.02,  0.05,  0.00)
179:     strbnd  (  0.419,  -1.396,   0.765)  (  0.419,  -1.396,   0.765)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.167,  -0.223,   0.058)  ( -0.167,  -0.223,   0.058)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.406,   3.323,   2.687)  ( -2.406,   3.323,   2.687)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (  0.125,  -1.325,   0.049)  (  0.131,  -1.320,   0.054)  ( 0.07,  0.40,  0.03)
179:     bond    (-15.381,  12.089, -12.058)  (-15.377,  12.093, -12.053)  ( 0.02,  0.04,  0.04)
179:     angle   (  8.484, -11.406,  11.903)  (  8.487, -11.404,  11.904)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  4.060,   9.673,   0.443)  (  4.059,   9.672,   0.443)  ( 0.02,  0.01,  0.02)
179:     torsion (  1.330,  -0.770,  -1.490)  (  1.330,  -0.769,  -1.490)  ( 0.01,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.699, -11.336,   1.328)  (  1.699, -11.336,   1.328)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.066,   0.423,  -0.077)  ( -0.066,   0.423,  -0.077)  ( 0.00,  0.00,  0.00)
179: 11       (  0.736,   2.170,  -0.004)  (  0.752,   2.188,  -0.139)  ( 1.17,  0.84,  0.05)
179:     bond    (  9.639,  15.878,   4.037)  (  9.642,  15.883,   4.041)  ( 0.04,  0.03,  0.11)
179:     angle   ( -9.172,  -2.161,  -6.458)  ( -9.170,  -2.158,  -6.456)  ( 0.02,  0.11,  0.02)
179:     strbnd  (  1.149,  -6.264,  -0.982)  (  1.147,  -6.265,  -0.982)  ( 0.10,  0.02,  0.04)
179:     torsion ( -0.350,  -0.442,   3.225)  ( -0.350,  -0.442,   3.225)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.054,  -0.059,   0.659)  ( -0.042,  -0.046,   0.518)  ( 0.06,  0.07,  9.28)
179:     vdw     ( -0.242,  -4.058,  -0.450)  ( -0.242,  -4.058,  -0.450)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.233,  -0.725,  -0.034)  ( -0.233,  -0.725,  -0.034)  ( 0.00,  0.00,  0.00)
179: 12       (  0.007,   0.058,  -0.013)  (  0.009,   0.059,  -0.013)  ( 0.00,  0.01,  0.00)
179:     bond    ( -1.070,   0.929,   0.454)  ( -1.069,   0.931,   0.454)  ( 0.16,  0.12,  0.01)
179:     angle   (  4.468,   5.608,  -0.977)  (  4.468,   5.608,  -0.977)  ( 0.01,  0.01,  0.05)
179:     strbnd  (  0.788,  -0.295,  -1.704)  (  0.788,  -0.295,  -1.704)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.551,  -1.028,   0.811)  ( -0.551,  -1.028,   0.811)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.628,  -5.157,   1.404)  ( -3.628,  -5.157,   1.404)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       ( -0.120,   0.039,  -0.037)  ( -0.119,   0.040,  -0.033)  ( 0.01,  0.00,  0.01)
179:     bond    ( -0.328,  -0.292,  -3.901)  ( -0.328,  -0.292,  -3.897)  ( 0.00,  0.00,  0.08)
179:     angle   ( -0.446,   1.585,  -0.081)  ( -0.446,   1.585,  -0.081)  ( 0.02,  0.04,  0.00)
179:     strbnd  ( -0.722,   1.212,   0.784)  ( -0.722,   1.212,   0.784)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.435,   1.492,  -0.075)  ( -0.435,   1.492,  -0.075)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.812,  -3.957,   3.236)  (  1.812,  -3.957,   3.236)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       (  0.067,   0.147,  -0.288)  (  0.068,   0.148,  -0.285)  ( 0.00,  0.01,  0.08)
179:     bond    ( -0.175,   1.062,   2.357)  ( -0.175,   1.063,   2.360)  ( 0.00,  0.05,  0.12)
179:     angle   ( -0.080,  -0.961,   0.427)  ( -0.080,  -0.961,   0.427)  ( 0.00,  0.04,  0.00)
179:     strbnd  (  0.554,   0.475,  -1.094)  (  0.554,   0.475,  -1.094)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.550,   1.444,  -0.691)  ( -0.550,   1.444,  -0.691)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.318,  -1.873,  -1.287)  (  0.318,  -1.873,  -1.287)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       (  0.046,  -0.135,  -0.333)  (  0.047,  -0.133,  -0.331)  ( 0.00,  0.03,  0.06)
179:     bond    (  0.373,   1.480,  -1.330)  (  0.373,   1.482,  -1.328)  ( 0.00,  0.12,  0.11)
179:     angle   ( -2.004,   0.579,   0.084)  ( -2.004,   0.580,   0.085)  ( 0.03,  0.01,  0.00)
179:     strbnd  (  0.258,   0.339,   0.948)  (  0.258,   0.339,   0.948)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.462,  -0.620,  -0.562)  (  0.462,  -0.620,  -0.562)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.958,  -1.914,   0.528)  (  0.958,  -1.914,   0.528)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       (  0.085,   0.267,   0.463)  (  0.090,   0.268,   0.460)  ( 0.04,  0.03,  0.13)
179:     bond    (  0.758,  -0.200,   0.086)  (  0.762,  -0.200,   0.086)  ( 0.28,  0.01,  0.00)
179:     angle   (  0.078,   0.315,   0.044)  (  0.078,   0.315,   0.044)  ( 0.00,  0.02,  0.00)
179:     strbnd  ( -0.224,   0.410,  -0.006)  ( -0.224,   0.410,  -0.006)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.053,  -0.023,   0.416)  ( -0.053,  -0.023,   0.416)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.002,  -0.001,   0.014)  ( -0.001,  -0.001,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.370,  -0.087,  -0.051)  ( -0.370,  -0.087,  -0.051)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.102,  -0.148,  -0.039)  ( -0.102,  -0.148,  -0.039)  ( 0.00,  0.00,  0.00)
179: 17       (  0.030,  -0.337,   0.354)  (  0.031,  -0.333,   0.349)  ( 0.00,  0.14,  0.18)
179:     bond    (  0.202,  -2.402,  -0.106)  (  0.202,  -2.398,  -0.106)  ( 0.00,  0.16,  0.00)
179:     angle   (  0.155,   0.010,   0.062)  (  0.156,   0.010,   0.062)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  0.312,   1.242,   0.101)  (  0.312,   1.242,   0.101)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.037,  -0.018,   0.329)  ( -0.037,  -0.018,   0.329)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.003,  -0.001,   0.025)  ( -0.002,  -0.001,   0.019)  ( 0.00,  0.00,  0.01)
179:     vdw     ( -0.532,   0.720,  -0.009)  ( -0.532,   0.720,  -0.009)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.067,   0.112,  -0.048)  ( -0.067,   0.112,  -0.048)  ( 0.00,  0.00,  0.00)
179: 18       (  0.234,   1.955,  -3.552)  (  0.255,   1.935,  -3.562)  ( 0.49,  1.01,  0.28)
179:     bond    ( -6.379,   0.928, -24.889)  ( -6.375,   0.931, -24.885)  ( 0.06,  0.30,  0.02)
179:     angle   (  9.056,   0.616,  23.534)  (  9.058,   0.619,  23.536)  ( 0.02,  0.14,  0.01)
179:     strbnd  ( -5.196,  -2.586,  -0.461)  ( -5.197,  -2.587,  -0.462)  ( 0.03,  0.04,  0.02)
179:     torsion (  1.569,  -1.208,   0.648)  (  1.569,  -1.208,   0.648)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.120,   0.144,   0.106)  ( -0.104,   0.120,   0.090)  ( 0.19,  0.35,  0.17)
179:     vdw     (  1.409,   4.724,  -3.655)  (  1.409,   4.724,  -3.655)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.105,  -0.663,   1.165)  ( -0.105,  -0.663,   1.165)  ( 0.00,  0.00,  0.00)
179: 19       (  0.354,   2.120,   0.056)  (  0.365,   2.131,   0.061)  ( 0.39,  0.51,  0.03)
179:     bond    ( -2.284,   1.490,  -1.564)  ( -2.281,   1.492,  -1.560)  ( 0.13,  0.13,  0.31)
179:     angle   ( -1.097,  -5.742,  -2.880)  ( -1.096,  -5.741,  -2.878)  ( 0.12,  0.02,  0.06)
179:     strbnd  (  3.814,  -3.033,   2.137)  (  3.814,  -3.033,   2.137)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.420,   0.671,  -0.162)  (  0.420,   0.672,  -0.162)  ( 0.02,  0.04,  0.00)
179:     oop     ( -0.056,  -0.065,   0.006)  ( -0.050,  -0.058,   0.005)  ( 0.04,  0.05,  0.00)
179:     vdw     ( -0.306,   9.504,   2.421)  ( -0.306,   9.504,   2.421)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.137,  -0.705,   0.098)  ( -0.137,  -0.705,   0.098)  ( 0.00,  0.00,  0.00)
179: 20       ( -4.758,  -2.921,   1.091)  ( -4.871,  -2.872,   1.165)  ( 2.36,  1.67,  6.80)
179:     bond    ( -2.231, -20.883,   8.347)  ( -2.227, -20.877,   8.352)  ( 0.15,  0.03,  0.06)
179:     angle   ( -4.426,  15.205,  -3.475)  ( -4.426,  15.207,  -3.473)  ( 0.02,  0.01,  0.05)
179:     strbnd  ( -4.771,  -2.312,  -7.995)  ( -4.772,  -2.313,  -7.996)  ( 0.01,  0.04,  0.02)
179:     torsion ( -2.925,   0.824,   1.217)  ( -2.924,   0.824,   1.217)  ( 0.01,  0.00,  0.00)
179:     oop     (  0.652,  -0.226,  -0.380)  (  0.536,  -0.185,  -0.311)  ( 7.57,  0.92,  2.60)
179:     vdw     (  7.151,   3.310,   3.612)  (  7.151,   3.310,   3.612)  ( 0.00,  0.00,  0.00)
179:     electro (  1.791,   1.160,  -0.235)  (  1.791,   1.160,  -0.235)  ( 0.00,  0.00,  0.00)
179: 21       ( -0.124,  -0.034,   0.051)  ( -0.123,  -0.033,   0.055)  ( 0.01,  0.00,  0.02)
179:     bond    ( -0.235,  -0.308,  -2.219)  ( -0.235,  -0.308,  -2.216)  ( 0.00,  0.00,  0.15)
179:     angle   (  4.698,  -5.851,   0.315)  (  4.699,  -5.850,   0.315)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -0.581,  -0.336,   1.443)  ( -0.581,  -0.336,   1.443)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.301,   0.144,   0.118)  ( -1.301,   0.144,   0.118)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.704,   6.318,   0.395)  ( -2.704,   6.318,   0.395)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       ( -1.234,   0.590,   0.291)  ( -1.240,   0.580,   0.298)  ( 0.44,  0.58,  0.20)
179:     bond    (  7.110,  -5.000,  16.974)  (  7.113,  -4.998,  16.979)  ( 0.05,  0.04,  0.03)
179:     angle   ( -2.542,   1.862,  -6.168)  ( -2.541,   1.862,  -6.166)  ( 0.04,  0.04,  0.03)
179:     strbnd  ( -2.998,   2.586,   2.923)  ( -2.998,   2.586,   2.923)  ( 0.00,  0.00,  0.01)
179:     torsion (  0.187,   0.206,   0.004)  (  0.187,   0.207,   0.004)  ( 0.01,  0.02,  0.00)
179:     oop     (  0.071,   0.090,  -0.001)  (  0.060,   0.076,  -0.000)  ( 0.07,  0.12,  0.00)
179:     vdw     ( -3.409,   1.113, -13.213)  ( -3.409,   1.113, -13.213)  ( 0.00,  0.01,  0.00)
179:     electro (  0.348,  -0.267,  -0.229)  (  0.348,  -0.267,  -0.229)  ( 0.00,  0.00,  0.00)
179: 23       ( -0.424,  -0.244,  -0.447)  ( -0.417,  -0.238,  -0.440)  ( 0.27,  0.14,  0.33)
179:     bond    ( -4.764,   3.427,  11.494)  ( -4.760,   3.429,  11.499)  ( 0.07,  0.06,  0.05)
180: # Testing MMFF94 Force Field...
180: ==============================
180: *** Open Babel Error  in SafeOpen
180:   Unable to open file '/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/more-mmff94e4sresults.txt' in read mode
180: Bail out! Cannot read file /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/files/more-mmff94e4sresults.txt
179/223 Test #180: test_ffmmff94_6 ..................   Passed    0.29 sec
test 181
        Start 181: test_ffuff_1

181: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ffuff" "1"
181: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
181: Environment variables: 
181:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
181:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
181: Test timeout computed to be: 1500
179:     angle   (  1.122,  -0.757,   2.811)  (  1.123,  -0.756,   2.813)  ( 0.09,  0.04,  0.06)
179:     strbnd  (  2.035,  -1.610,  -1.356)  (  2.035,  -1.610,  -1.356)  ( 0.01,  0.01,  0.01)
179:     torsion ( -0.226,  -0.307,   0.011)  ( -0.225,  -0.307,   0.011)  ( 0.01,  0.03,  0.00)
179:     oop     ( -0.009,  -0.013,  -0.000)  ( -0.008,  -0.010,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.387,  -0.990, -13.718)  (  1.387,  -0.990, -13.718)  ( 0.00,  0.00,  0.00)
179:     electro (  0.030,   0.005,   0.311)  (  0.030,   0.005,   0.311)  ( 0.00,  0.00,  0.00)
179: 24       (  0.157,  -0.217,  -0.233)  (  0.172,  -0.201,  -0.226)  ( 0.23,  0.34,  0.16)
179:     bond    ( -7.605,   5.610,   5.554)  ( -7.601,   5.612,   5.560)  ( 0.05,  0.04,  0.10)
179:     angle   ( -1.737,   1.343,   0.082)  ( -1.736,   1.343,   0.083)  ( 0.06,  0.05,  0.01)
179:     strbnd  (  0.340,  -0.282,  -1.073)  (  0.340,  -0.282,  -1.073)  ( 0.00,  0.00,  0.02)
179:     torsion (  0.141,   0.176,   0.004)  (  0.142,   0.177,   0.004)  ( 0.01,  0.01,  0.00)
179:     oop     ( -0.055,  -0.073,  -0.001)  ( -0.046,  -0.061,  -0.001)  ( 0.05,  0.09,  0.00)
179:     vdw     (  9.119,  -7.021,  -4.701)  (  9.119,  -7.021,  -4.701)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.046,   0.030,  -0.098)  ( -0.046,   0.030,  -0.098)  ( 0.00,  0.00,  0.00)
179: 25       (  0.454,   0.055,   0.715)  (  0.438,   0.032,   0.721)  ( 0.74,  0.13,  0.46)
179:     bond    (-11.078,   8.736,  -4.694)  (-11.074,   8.738,  -4.688)  ( 0.03,  0.02,  0.12)
179:     angle   (  1.300,  -0.887,  -3.803)  (  1.301,  -0.886,  -3.801)  ( 0.08,  0.06,  0.05)
179:     strbnd  (  1.316,  -0.991,   0.244)  (  1.316,  -0.991,   0.244)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.076,  -0.091,   0.002)  ( -0.076,  -0.090,   0.002)  ( 0.00,  0.01,  0.00)
179:     oop     (  0.140,   0.179,   0.005)  (  0.119,   0.152,   0.004)  ( 0.30,  0.49,  0.00)
179:     vdw     (  8.950,  -6.944,   9.005)  (  8.950,  -6.943,   9.005)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.098,   0.053,  -0.044)  ( -0.098,   0.053,  -0.044)  ( 0.00,  0.00,  0.00)
179: 26       (  0.502,  -0.688,  -0.363)  (  0.560,  -0.616,  -0.355)  ( 2.88,  4.96,  0.30)
179:     bond    ( -0.944,   0.846, -18.247)  ( -0.940,   0.848, -18.243)  ( 0.30,  0.17,  0.02)
179:     angle   (  7.126,  -5.296,   3.718)  (  7.127,  -5.296,   3.720)  ( 0.01,  0.01,  0.05)
179:     strbnd  ( -7.430,   5.904,   0.945)  ( -7.430,   5.904,   0.944)  ( 0.00,  0.00,  0.05)
179:     torsion ( -0.866,  -1.152,  -0.063)  ( -0.866,  -1.152,  -0.063)  ( 0.03,  0.06,  0.00)
179:     oop     ( -0.313,  -0.407,  -0.015)  ( -0.261,  -0.338,  -0.012)  ( 1.66,  2.81,  0.00)
179:     vdw     (  3.069,  -0.873,  13.253)  (  3.069,  -0.873,  13.253)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.139,   0.290,   0.046)  ( -0.139,   0.290,   0.046)  ( 0.00,  0.00,  0.00)
179: 27       (  1.281,  -0.843,   0.502)  (  1.283,  -0.843,   0.504)  ( 0.11,  0.06,  0.10)
179:     bond    (  2.446,  -1.770,   2.501)  (  2.447,  -1.769,   2.503)  ( 0.06,  0.04,  0.06)
179:     angle   ( -1.543,   1.181,   2.343)  ( -1.543,   1.181,   2.344)  ( 0.01,  0.01,  0.02)
179:     strbnd  ( -1.339,   0.977,  -0.789)  ( -1.339,   0.977,  -0.789)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.988,   1.336,  -0.022)  (  0.988,   1.336,  -0.022)  ( 0.01,  0.02,  0.00)
179:     oop     (  0.002,   0.003,  -0.000)  (  0.002,   0.002,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.259,  -2.708,  -3.410)  (  1.260,  -2.708,  -3.410)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.532,   0.139,  -0.121)  ( -0.532,   0.139,  -0.121)  ( 0.00,  0.00,  0.00)
179: 28       (  0.659,   0.029,  -0.865)  (  0.660,   0.029,  -0.863)  ( 0.05,  0.00,  0.16)
179:     bond    ( -1.791,   1.438,  -1.751)  ( -1.790,   1.439,  -1.750)  ( 0.08,  0.07,  0.08)
179:     angle   ( -0.694,   0.523,   1.139)  ( -0.694,   0.523,   1.139)  ( 0.01,  0.00,  0.04)
179:     strbnd  (  0.572,  -0.470,   0.906)  (  0.572,  -0.470,   0.906)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.222,   0.282,   0.005)  (  0.222,   0.283,   0.005)  ( 0.00,  0.01,  0.00)
179:     oop     (  0.006,   0.008,   0.000)  (  0.005,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.510,  -1.901,  -1.427)  (  2.510,  -1.901,  -1.427)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.166,   0.148,   0.264)  ( -0.166,   0.148,   0.264)  ( 0.00,  0.00,  0.00)
179: 29       (  0.611,   0.630,   0.735)  (  0.594,   0.607,   0.737)  ( 1.08,  1.46,  0.11)
179:     bond    (  0.302,  -0.086,  -3.852)  (  0.302,  -0.086,  -3.850)  ( 0.00,  0.00,  0.06)
179:     angle   ( -6.191,   4.765,  -0.593)  ( -6.191,   4.765,  -0.593)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  0.076,   0.015,  -2.804)  (  0.076,   0.015,  -2.804)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.648,   0.848,   0.032)  (  0.648,   0.848,   0.032)  ( 0.00,  0.01,  0.00)
179:     oop     (  0.111,   0.143,   0.005)  (  0.093,   0.120,   0.005)  ( 0.20,  0.34,  0.00)
179:     vdw     (  5.741,  -5.031,   8.170)  (  5.741,  -5.031,   8.171)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.075,  -0.024,  -0.223)  ( -0.075,  -0.024,  -0.223)  ( 0.00,  0.00,  0.00)
179: 30       ( -0.397,  -0.419,   0.691)  ( -0.398,  -0.421,   0.695)  ( 0.06,  0.10,  0.25)
179:     bond    ( -0.285,   0.192,   2.526)  ( -0.284,   0.192,   2.529)  ( 0.00,  0.00,  0.15)
179:     angle   (  0.191,  -0.141,   0.032)  (  0.191,  -0.141,   0.032)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.092,   0.073,  -0.831)  ( -0.092,   0.073,  -0.831)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.351,  -0.466,  -0.004)  ( -0.351,  -0.466,  -0.004)  ( 0.00,  0.01,  0.00)
179:     oop     (  0.013,   0.017,   0.000)  (  0.011,   0.014,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.124,  -0.078,  -0.755)  (  0.124,  -0.078,  -0.755)  ( 0.00,  0.00,  0.00)
179:     electro (  0.003,  -0.015,  -0.276)  (  0.003,  -0.015,  -0.276)  ( 0.00,  0.00,  0.00)
179: 31       ( -0.704,   0.375,   0.383)  ( -0.707,   0.370,   0.384)  ( 0.17,  0.17,  0.04)
179:     bond    ( -1.807,   1.366,   0.917)  ( -1.805,   1.368,   0.917)  ( 0.11,  0.09,  0.05)
179:     angle   (  0.005,   0.002,   0.007)  (  0.005,   0.002,   0.008)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  0.452,  -0.351,  -0.140)  (  0.452,  -0.351,  -0.140)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.111,  -0.144,  -0.004)  ( -0.110,  -0.143,  -0.004)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.028,   0.036,   0.000)  (  0.023,   0.030,   0.000)  ( 0.01,  0.02,  0.00)
179:     vdw     (  0.558,  -0.417,  -0.304)  (  0.558,  -0.417,  -0.304)  ( 0.00,  0.00,  0.00)
179:     electro (  0.170,  -0.118,  -0.094)  (  0.170,  -0.118,  -0.094)  ( 0.00,  0.00,  0.00)
179: 32       (  1.630,  -4.947,   2.895)  (  1.690,  -4.961,   2.864)  ( 3.68,  0.29,  1.07)
179:     bond    ( -5.280,  -7.572,  -4.556)  ( -5.277,  -7.567,  -4.554)  ( 0.05,  0.06,  0.04)
179:     angle   ( -0.110,   0.279,  -0.337)  ( -0.110,   0.279,  -0.337)  ( 0.00,  0.01,  0.02)
179:     strbnd  (  1.293,   1.229,   1.466)  (  1.293,   1.229,   1.466)  ( 0.00,  0.01,  0.01)
179:     torsion (  1.739,  -0.595,  -1.027)  (  1.739,  -0.595,  -1.027)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.260,   0.090,   0.151)  ( -0.202,   0.070,   0.118)  ( 1.49,  0.18,  0.50)
179:     vdw     (  4.932,   0.142,   8.178)  (  4.933,   0.142,   8.178)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.685,   1.480,  -0.981)  ( -0.685,   1.480,  -0.981)  ( 0.00,  0.00,  0.00)
179: 33       (  0.265,  -3.628,   2.174)  (  0.299,  -3.635,   2.159)  ( 0.90,  0.18,  0.67)
179:     bond    (  4.715,   4.557,   6.062)  (  4.716,   4.560,   6.065)  ( 0.02,  0.07,  0.06)
179:     angle   ( -7.689, -18.240,  -5.025)  ( -7.688, -18.238,  -5.024)  ( 0.01,  0.01,  0.01)
179:     strbnd  (  3.295,  -2.419,   7.181)  (  3.295,  -2.419,   7.181)  ( 0.00,  0.01,  0.00)
179:     torsion ( -1.716,   0.412,   0.834)  ( -1.716,   0.412,   0.834)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.210,   0.072,   0.121)  ( -0.178,   0.061,   0.103)  ( 0.68,  0.08,  0.23)
179:     vdw     (  1.937,  10.751,  -6.247)  (  1.938,  10.752,  -6.247)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.069,   1.237,  -0.752)  ( -0.069,   1.237,  -0.752)  ( 0.00,  0.00,  0.00)
179: 34       ( -1.330,   1.205,  -3.164)  ( -1.324,   1.210,  -3.159)  ( 0.46,  0.42,  0.18)
179:     bond    ( -0.334,  -4.761,   2.356)  ( -0.329,  -4.757,   2.361)  ( 0.15,  0.10,  0.19)
179:     angle   (  0.189,   3.946,   0.226)  (  0.190,   3.948,   0.228)  ( 0.03,  0.05,  0.04)
179:     strbnd  (  0.552,   0.973,   0.402)  (  0.551,   0.972,   0.402)  ( 0.02,  0.16,  0.02)
179:     torsion (  1.469,  -0.111,  -0.152)  (  1.469,  -0.111,  -0.152)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.779,   1.527,  -7.078)  ( -3.779,   1.527,  -7.078)  ( 0.00,  0.00,  0.00)
179:     electro (  0.573,  -0.371,   1.082)  (  0.573,  -0.371,   1.082)  ( 0.00,  0.00,  0.00)
179: 35       (  0.303,   0.212,   0.053)  (  0.304,   0.213,   0.055)  ( 0.04,  0.01,  0.01)
179:     bond    (  0.249,   0.013,   0.448)  (  0.250,   0.013,   0.451)  ( 0.02,  0.00,  0.12)
179:     angle   (  0.291,   0.661,  -0.181)  (  0.291,   0.662,  -0.181)  ( 0.01,  0.04,  0.00)
179:     strbnd  ( -0.215,  -0.451,  -0.159)  ( -0.215,  -0.451,  -0.159)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.017,  -0.004,  -0.009)  (  0.017,  -0.004,  -0.009)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.039,  -0.007,  -0.046)  ( -0.039,  -0.007,  -0.046)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       (  0.432,   0.172,   0.118)  (  0.434,   0.174,   0.120)  ( 0.05,  0.03,  0.02)
179:     bond    (  0.425,  -0.592,  -0.547)  (  0.425,  -0.590,  -0.545)  ( 0.03,  0.08,  0.07)
179:     angle   (  1.840,  -0.935,   2.446)  (  1.841,  -0.935,   2.446)  ( 0.02,  0.03,  0.01)
179:     strbnd  (  0.155,  -0.679,  -0.026)  (  0.155,  -0.679,  -0.026)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.272,  -0.056,  -0.151)  ( -0.272,  -0.056,  -0.151)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.715,   2.434,  -1.604)  ( -1.715,   2.434,  -1.604)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       (  0.355,  -0.026,   0.062)  (  0.358,  -0.025,   0.062)  ( 0.11,  0.00,  0.00)
179:     bond    ( -0.517,  -0.155,   0.092)  ( -0.514,  -0.155,   0.092)  ( 0.16,  0.00,  0.00)
179:     angle   (  0.968,  -1.352,   3.151)  (  0.969,  -1.351,   3.152)  ( 0.01,  0.04,  0.01)
179:     strbnd  ( -0.412,  -0.566,   0.270)  ( -0.412,  -0.566,   0.270)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.011,  -0.098,  -0.229)  ( -0.011,  -0.098,  -0.229)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.326,   2.145,  -3.222)  (  0.326,   2.145,  -3.222)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 26 # gradients 
179: ok 27 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       ( -2.053,   0.415,  -0.337)  ( -2.105,   0.368,  -0.075)  ( 2.53,  1.96,  8.81)
179:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
179:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
179:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
179:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
179:     electro (  0.486,   0.087,   0.038)  (  0.486,   0.087,   0.038)  ( 0.00,  0.00,  0.00)
179:  2       (  0.088,   0.178,   0.659)  (  0.225,   0.295,   0.137)  ( 1.20,  2.08, 34.38)
179:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
179:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
179:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
179:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
179:     electro (  0.052,  -0.254,  -0.057)  (  0.052,  -0.254,  -0.057)  ( 0.00,  0.00,  0.00)
179:  3       (  0.944,   1.074,   0.464)  (  0.859,   1.006,   0.824)  ( 8.03,  6.34, 16.68)
179:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
179:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
179:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
179:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
179:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
179:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.569,   0.038,  -0.166)  ( -0.569,   0.038,  -0.166)  ( 0.00,  0.00,  0.00)
179:  4       (  0.427,  -1.622,  -0.238)  (  0.436,  -1.613,  -0.247)  ( 0.36,  0.57,  0.21)
179:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
179:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
179:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
179:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
179:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
179:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
179:     electro (  0.349,   0.071,  -0.029)  (  0.349,   0.071,  -0.029)  ( 0.00,  0.00,  0.00)
179:  5       ( -6.203,   2.397,   1.174)  ( -6.193,   2.403,   1.165)  ( 0.15,  0.28,  0.83)
179:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
179:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
179:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
179:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
179:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.343,   0.567,  -0.136)  ( -0.343,   0.567,  -0.136)  ( 0.00,  0.00,  0.00)
179:  6       (  1.625,  -1.131,  -0.206)  (  1.645,  -1.109,  -0.266)  ( 1.28,  1.91,  1.23)
179:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
179:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
179:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
179:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
179:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.144,   0.140,   0.062)  ( -0.144,   0.140,   0.062)  ( 0.00,  0.00,  0.00)
179:  7       ( -1.018,  -0.292,  -0.300)  ( -1.008,  -0.282,  -0.315)  ( 0.96,  0.31,  0.44)
179:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
179:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
179:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
179:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
179:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
179:     electro (  0.448,  -0.945,  -0.018)  (  0.448,  -0.945,  -0.018)  ( 0.00,  0.00,  0.00)
179:  8       ( -1.004,   2.236,   0.069)  ( -1.034,   2.210,   0.203)  ( 3.05,  1.13,  0.92)
179:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
179:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
179:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
179:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
179:     electro (  0.013,  -0.285,   0.000)  (  0.013,  -0.285,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (  0.351,  -0.939,   0.203)  (  0.357,  -0.933,   0.209)  ( 0.20,  0.53,  0.11)
179:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
179:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
179:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
179:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
179:     electro (  0.040,  -0.039,  -0.079)  (  0.040,  -0.039,  -0.079)  ( 0.00,  0.00,  0.00)
179: 10       (  0.625,  -1.053,  -0.035)  (  0.652,  -1.028,  -0.117)  ( 1.68,  2.30,  0.29)
179:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
179:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
179:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
179:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
179:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.080,  -0.003,  -0.041)  ( -0.080,  -0.003,  -0.041)  ( 0.00,  0.00,  0.00)
179: 11       ( -0.026,  -0.445,  -0.490)  ( -0.012,  -0.431,  -0.525)  ( 0.04,  0.66,  1.67)
179:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
179:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
179:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
179:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
179:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
179:     electro (  0.189,   0.026,   0.145)  (  0.189,   0.026,   0.145)  ( 0.00,  0.00,  0.00)
179: 12       (  0.717,  -9.657,   1.652)  (  0.730,  -9.654,   1.624)  ( 0.90,  0.03,  1.69)
179:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
179:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
179:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
179:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
179:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
179:     electro (  0.012,  -0.260,   0.065)  (  0.012,  -0.260,   0.065)  ( 0.00,  0.00,  0.00)
179: 13       (  2.460,  -6.087,   1.095)  (  2.467,  -6.080,   1.098)  ( 0.27,  0.12,  0.31)
179:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
179:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
179:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
179:     electro (  0.099,   0.153,  -0.002)  (  0.099,   0.153,  -0.002)  ( 0.00,  0.00,  0.00)
179: 14       ( -0.730,  -2.358,   0.160)  ( -0.723,  -2.352,   0.165)  ( 0.49,  0.28,  0.07)
179:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
179:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
179:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
179:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.202,   0.073,  -0.025)  ( -0.202,   0.073,  -0.025)  ( 0.00,  0.00,  0.00)
179: 15       (  2.261,  -0.162,   0.226)  (  2.268,  -0.156,   0.225)  ( 0.30,  0.10,  0.02)
179:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
179:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
179:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
179:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
179:     electro (  0.256,  -0.023,   0.038)  (  0.256,  -0.023,   0.038)  ( 0.00,  0.00,  0.00)
179: 16       ( 12.486,   1.008,   1.043)  ( 12.490,   1.019,   1.066)  ( 0.04,  1.05,  2.16)
179:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
179:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
179:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
179:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
179:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.038,   0.307,  -0.033)  ( -0.038,   0.307,  -0.033)  ( 0.00,  0.00,  0.00)
179: 17       (-13.149,  41.872,  -7.596)  (-13.137,  41.873,  -7.641)  ( 0.08,  0.00,  0.59)
179:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
179:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
179:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
179:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
179:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.100,  -0.286,  -0.023)  ( -0.100,  -0.286,  -0.023)  ( 0.00,  0.00,  0.00)
179: 18       ( 44.495,  -1.551,   2.301)  ( 44.490,  -1.525,   2.423)  ( 0.01,  1.69,  5.31)
179:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
179:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
179:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
179:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
179:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.078,   0.101,  -0.023)  ( -0.078,   0.101,  -0.023)  ( 0.00,  0.00,  0.00)
179: 19       ( 69.047,  18.195,  -0.422)  ( 69.073,  18.159,  -0.719)  ( 0.04,  0.20, 12.52)
179:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
179:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
179:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.186,  -0.044,   0.051)  ( -0.186,  -0.044,   0.051)  ( 0.00,  0.00,  0.00)
179: 20       (-66.666,   1.027,  -3.814)  (-66.673,   1.059,  -3.645)  ( 0.01,  3.11,  4.42)
179:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
179:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
179:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
179:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
179:     electro (  0.371,  -0.228,   0.325)  (  0.371,  -0.228,   0.325)  ( 0.00,  0.00,  0.00)
179: 21       (-41.992, -33.111,   1.581)  (-41.994, -33.087,   1.701)  ( 0.00,  0.07,  7.60)
179:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
179:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
179:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
179:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
179:     electro ( -1.339,  -0.127,   0.128)  ( -1.339,  -0.127,   0.128)  ( 0.00,  0.00,  0.00)
179: 22       (-10.516,   3.652,  -0.202)  (-10.513,   3.656,  -0.202)  ( 0.02,  0.11,  0.01)
179:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
179:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
179:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
179:     electro (  2.494,  -0.076,  -0.023)  (  2.494,  -0.076,  -0.023)  ( 0.00,  0.00,  0.00)
179: 23       (  1.691,   0.137,   0.101)  (  1.691,   0.137,   0.111)  ( 0.01,  0.00,  0.10)
179:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
179:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
179:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
179:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.200,  -0.165,  -0.054)  ( -0.200,  -0.165,  -0.054)  ( 0.00,  0.00,  0.00)
179: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
179:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
179:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
179:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
179:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
179:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
179:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
179:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
179:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
179:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
179:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
179:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
179:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
179:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
179:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
179:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
179:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
179:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
179:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
179:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
179:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
179:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
179:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
179:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
179:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
179:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
179:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
179:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
179:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
179:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
179:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       (  1.245,  -1.321,   0.243)  (  1.246,  -1.318,   0.245)  ( 0.14,  0.22,  0.04)
179:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
179:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
179:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
179:     electro (  0.168,   0.031,   0.005)  (  0.168,   0.031,   0.005)  ( 0.00,  0.00,  0.00)
179: 36       ( -2.391,   0.421,  -0.415)  ( -2.388,   0.421,  -0.415)  ( 0.15,  0.03,  0.01)
179:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
179:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
179:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
179:     electro (  0.194,  -0.038,   0.022)  (  0.194,  -0.038,   0.022)  ( 0.00,  0.00,  0.00)
179: 37       ( -1.434,   2.065,  -0.475)  ( -1.433,   2.068,  -0.473)  ( 0.07,  0.16,  0.09)
179:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
179:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
179:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.004,  -0.149,   0.017)  ( -0.004,  -0.149,   0.017)  ( 0.00,  0.00,  0.00)
179: 38       (  1.261,  -0.145,   0.322)  (  1.263,  -0.142,   0.326)  ( 0.13,  0.04,  0.10)
179:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
179:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
179:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.324,   0.454,  -0.114)  ( -0.324,   0.454,  -0.114)  ( 0.00,  0.00,  0.00)
179: 39       (  8.893, -15.193,   1.966)  (  8.900, -15.196,   1.907)  ( 0.09,  0.02,  2.99)
179:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
179:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
179:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.565,   0.871,  -0.073)  ( -1.565,   0.871,  -0.073)  ( 0.00,  0.00,  0.00)
179: ok 28 # gradients 
179: ok 29 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (-37.071, -81.376,  -8.715)  (-37.065, -81.370,  -8.711)  ( 0.01,  0.01,  0.06)
179:     bond    ( -6.927,  -6.224,   0.204)  ( -6.923,  -6.219,   0.208)  ( 0.06,  0.08,  0.07)
179:     angle   (-43.402, -92.594,  -5.039)  (-43.401, -92.592,  -5.037)  ( 0.00,  0.00,  0.03)
179:     strbnd  ( 17.017,  19.808,  -1.013)  ( 17.017,  19.807,  -1.014)  ( 0.00,  0.00,  0.03)
179:     torsion ( -0.140,   0.089,  -0.286)  ( -0.140,   0.089,  -0.286)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.619,  -2.454,  -2.581)  ( -3.619,  -2.454,  -2.581)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (-39.440,   2.545,  50.699)  (-39.434,   2.550,  50.705)  ( 0.01,  0.18,  0.01)
179:     bond    (  2.221,   0.743,  -4.295)  (  2.225,   0.746,  -4.291)  ( 0.19,  0.23,  0.10)
179:     angle   (-30.186,   6.101,  43.460)  (-30.184,   6.103,  43.462)  ( 0.01,  0.03,  0.00)
179:     strbnd  ( -8.549,  -6.318,  14.014)  ( -8.550,  -6.318,  14.014)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.634,  -0.131,  -0.999)  ( -0.634,  -0.131,  -0.999)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.292,   2.150,  -1.482)  ( -2.292,   2.150,  -1.482)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       ( -1.269,  40.025, -47.383)  ( -1.404,  39.151, -47.725)  (10.68,  2.19,  0.72)
179:     bond    ( -0.509,   0.513,  -6.367)  ( -0.504,   0.517,  -6.364)  ( 0.25,  0.20,  0.05)
179:     angle   ( 13.510,  14.854, -42.989)  ( 13.512,  14.856, -42.987)  ( 0.01,  0.01,  0.00)
179:     strbnd  (-14.490,   2.857,  -6.469)  (-14.491,   2.857,  -6.469)  ( 0.01,  0.01,  0.01)
179:     torsion (  0.820,  13.476,   6.086)  (  0.820,  13.476,   6.086)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.965,   7.596,   5.726)  ( -1.106,   6.716,   5.379)  (13.62, 11.59,  6.06)
179:     vdw     (  0.470,   0.645,  -3.276)  (  0.471,   0.645,  -3.276)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.106,   0.085,  -0.093)  ( -0.106,   0.085,  -0.093)  ( 0.00,  0.00,  0.00)
179:  4       ( -3.751,  47.995,  62.741)  ( -3.746,  48.001,  62.747)  ( 0.14,  0.01,  0.01)
179:     bond    ( -1.086,   2.486,   9.511)  ( -1.082,   2.490,   9.516)  ( 0.33,  0.17,  0.05)
179:     angle   ( -4.863,  51.765,  70.840)  ( -4.861,  51.767,  70.842)  ( 0.04,  0.00,  0.00)
179:     strbnd  (  4.026, -10.734, -19.678)  (  4.025, -10.735, -19.679)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.144,   0.700,  -0.367)  (  0.144,   0.700,  -0.367)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.972,   3.779,   2.435)  ( -1.972,   3.779,   2.435)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (-38.552, -131.229, -55.358)  (-37.756, -128.992, -53.392)  ( 2.07,  1.70,  3.55)
179:     bond    (  8.677, -20.361, -12.122)  (  8.681, -20.358, -12.120)  ( 0.05,  0.02,  0.02)
179:     angle   (-36.816, -71.485,  11.280)  (-36.815, -71.484,  11.281)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( 12.873,  -5.181,   7.752)  ( 12.873,  -5.181,   7.752)  ( 0.00,  0.00,  0.01)
179:     torsion (-12.225, -29.725, -36.119)  (-12.225, -29.725, -36.119)  ( 0.00,  0.00,  0.00)
179:     oop     ( -5.173, -18.341, -24.805)  ( -4.382, -16.108, -22.842)  (15.29, 12.17,  7.91)
179:     vdw     ( -5.982,  13.988,  -1.401)  ( -5.982,  13.988,  -1.401)  ( 0.00,  0.00,  0.00)
179:     electro (  0.094,  -0.124,   0.056)  (  0.094,  -0.124,   0.056)  ( 0.00,  0.00,  0.00)
179:  6       ( 59.731,  60.969,  24.972)  ( 58.945,  59.687,  24.144)  ( 1.32,  2.10,  3.32)
179:     bond    ( -6.489, -13.464,  18.197)  ( -6.484, -13.459,  18.199)  ( 0.07,  0.03,  0.01)
179:     angle   ( 37.474,  50.266, -17.881)  ( 37.475,  50.267, -17.880)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -3.586,  -8.839,   8.084)  ( -3.586,  -8.840,   8.084)  ( 0.01,  0.00,  0.00)
179:     torsion ( 14.651,  15.387,  15.614)  ( 14.652,  15.387,  15.614)  ( 0.00,  0.00,  0.00)
179:     oop     (  6.902,   8.223,   9.114)  (  6.110,   6.936,   8.282)  (11.47, 15.66,  9.13)
179:     vdw     ( 10.851,   9.567,  -8.214)  ( 10.851,   9.567,  -8.214)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.073,  -0.171,   0.058)  ( -0.073,  -0.171,   0.058)  ( 0.00,  0.00,  0.00)
179:  7       (-98.469, -30.215,   3.140)  (-97.137, -30.467,   3.742)  ( 1.35,  0.83, 19.15)
179:     bond    (-36.725,  -4.863,   0.794)  (-36.719,  -4.859,   0.795)  ( 0.01,  0.08,  0.10)
179:     angle   (-40.863, -11.120,  -0.055)  (-40.862, -11.119,  -0.054)  ( 0.00,  0.01,  0.00)
179:     strbnd  (-15.761, -19.921,  -0.231)  (-15.761, -19.921,  -0.231)  ( 0.00,  0.00,  0.00)
179:     torsion (-16.151,  -0.989,   6.996)  (-16.151,  -0.989,   6.996)  ( 0.00,  0.00,  0.01)
179:     oop     ( -6.016,   1.821,   0.042)  ( -4.691,   1.564,   0.642)  (22.03, 14.13,  2.51)
179:     vdw     ( 17.210,   4.832,  -4.353)  ( 17.210,   4.832,  -4.353)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.162,   0.025,  -0.053)  ( -0.162,   0.025,  -0.053)  ( 0.00,  0.00,  0.00)
179:  8       ( 43.352, -30.505,  99.229)  ( 42.057, -30.082,  96.879)  ( 2.99,  1.39,  2.37)
179:     bond    (  0.216,  13.908,  14.316)  (  0.219,  13.913,  14.318)  ( 0.06,  0.04,  0.01)
179:     angle   ( 11.911, -57.274,  71.476)  ( 11.912, -57.273,  71.477)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 12.084,  27.937,   5.019)  ( 12.083,  27.936,   5.019)  ( 0.00,  0.00,  0.00)
179:     torsion (  3.830,   0.035,  -3.860)  (  3.830,   0.035,  -3.861)  ( 0.00,  0.00,  0.00)
179:     oop     (  8.502,  -2.885,  10.470)  (  7.204,  -2.469,   8.117)  (15.27, 14.44, 22.47)
179:     vdw     (  7.198, -12.680,   2.190)  (  7.198, -12.679,   2.190)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.389,   0.454,  -0.382)  ( -0.389,   0.454,  -0.382)  ( 0.00,  0.00,  0.00)
179:  9       ( 32.784,  53.653, -118.720)  ( 32.158,  52.563, -117.998)  ( 1.91,  2.03,  0.61)
179:     bond    ( 10.817,   9.746, -28.895)  ( 10.820,   9.748, -28.889)  ( 0.03,  0.02,  0.02)
179:     angle   ( 35.048,  51.699, -72.855)  ( 35.049,  51.701, -72.854)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  0.568,  -4.532,  -8.148)  (  0.567,  -4.532,  -8.148)  ( 0.01,  0.00,  0.00)
179:     torsion ( -4.728,  -6.617, -17.279)  ( -4.728,  -6.618, -17.279)  ( 0.00,  0.01,  0.00)
179:     oop     (  1.204,   5.714,  -4.530)  (  0.573,   4.622,  -3.815)  (52.37, 19.12, 15.77)
179:     vdw     (-10.056,  -2.512,  13.221)  (-10.056,  -2.512,  13.222)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.068,   0.155,  -0.235)  ( -0.068,   0.155,  -0.235)  ( 0.00,  0.00,  0.00)
179: 10       ( -2.856, -19.715, 132.354)  ( -2.826, -20.000, 130.748)  ( 1.05,  1.45,  1.21)
179:     bond    ( 18.269,   6.335,   0.967)  ( 18.273,   6.339,   0.970)  ( 0.02,  0.07,  0.23)
179:     angle   (-27.608, -36.500,  84.948)  (-27.607, -36.499,  84.949)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 12.909,   2.314,  -3.833)  ( 12.909,   2.313,  -3.833)  ( 0.00,  0.02,  0.00)
179:     torsion (  5.991,   6.815,  25.602)  (  5.992,   6.815,  25.602)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.582,   4.956,  14.815)  (  0.605,   4.666,  13.205)  ( 1.37,  5.85, 10.86)
179:     vdw     (-13.143,  -3.558,   9.953)  (-13.143,  -3.558,   9.953)  ( 0.00,  0.00,  0.00)
179:     electro (  0.145,  -0.076,  -0.098)  (  0.145,  -0.076,  -0.098)  ( 0.00,  0.00,  0.00)
179: 11       ( 47.621, -23.666, -61.746)  ( 37.332, -24.369, -53.148)  (21.61,  2.97, 13.92)
179:     bond    (-11.073,   2.546,  -4.952)  (-11.069,   2.550,  -4.949)  ( 0.04,  0.18,  0.08)
179:     angle   ( 14.987, -10.150, -58.721)  ( 14.989, -10.148, -58.720)  ( 0.01,  0.02,  0.00)
179:     strbnd  ( 17.268, -10.877,  11.808)  ( 17.267, -10.878,  11.807)  ( 0.00,  0.01,  0.01)
179:     torsion (  6.129,   3.198,  15.790)  (  6.129,   3.198,  15.790)  ( 0.00,  0.00,  0.00)
179:     oop     ( 18.909,  -6.132, -23.821)  (  8.614,  -6.841, -15.228)  (54.44, 11.57, 36.07)
179:     vdw     (  1.389,  -2.494,  -1.281)  (  1.389,  -2.494,  -1.281)  ( 0.00,  0.00,  0.00)
179:     electro (  0.012,   0.244,  -0.569)  (  0.012,   0.244,  -0.569)  ( 0.00,  0.00,  0.00)
179: 12       ( 31.693, -14.126, -65.659)  ( 31.699, -14.121, -65.654)  ( 0.02,  0.04,  0.01)
179:     bond    (  4.025,  -3.189,  -9.311)  (  4.029,  -3.185,  -9.307)  ( 0.10,  0.12,  0.05)
179:     angle   ( 35.137, -10.001, -64.710)  ( 35.139, -10.000, -64.708)  ( 0.01,  0.02,  0.00)
179:     strbnd  ( -5.006,   4.101,  11.332)  ( -5.006,   4.101,  11.331)  ( 0.01,  0.01,  0.01)
179:     torsion ( -2.865,  -1.801,  -0.962)  ( -2.865,  -1.801,  -0.962)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.401,  -3.237,  -2.009)  (  0.401,  -3.237,  -2.009)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (-44.134, -77.724, 137.267)  (-23.402, -75.683, 122.411)  (46.97,  2.63, 10.82)
179:     bond    ( -2.460,   4.359,  -8.933)  ( -2.456,   4.363,  -8.924)  ( 0.18,  0.08,  0.10)
179:     angle   ( 29.524, -109.944, 134.355)  ( 29.525, -109.943, 134.355)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-14.951,  10.444, -24.236)  (-14.952,  10.444, -24.237)  ( 0.01,  0.01,  0.01)
179:     torsion (  1.176,  -3.022,  -8.395)  (  1.176,  -3.022,  -8.396)  ( 0.06,  0.00,  0.01)
179:     oop     (-59.918,  23.973,  41.115)  (-39.191,  26.010,  26.252)  (34.59,  8.49, 36.15)
179:     vdw     (  2.638,  -3.488,   3.777)  (  2.638,  -3.488,   3.777)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.142,  -0.047,  -0.416)  ( -0.142,  -0.047,  -0.416)  ( 0.00,  0.00,  0.00)
179: 14       (-74.159,  -4.011, -45.310)  (-74.368,  -3.653, -44.962)  ( 0.28,  8.92,  0.77)
179:     bond    (  2.608,   8.877,  -3.192)  (  2.609,   8.883,  -3.190)  ( 0.05,  0.08,  0.06)
179:     angle   (-96.717,  12.033, -55.420)  (-96.718,  12.033, -55.421)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -4.852, -11.840,   5.276)  ( -4.852, -11.840,   5.276)  ( 0.00,  0.00,  0.00)
179:     torsion ( 10.732,   0.866,  11.025)  ( 10.727,   0.866,  11.022)  ( 0.04,  0.00,  0.03)
179:     oop     ( 12.415, -11.706,  -6.666)  ( 12.210, -11.356,  -6.316)  ( 1.65,  3.00,  5.26)
179:     vdw     (  1.533,  -1.793,   3.152)  (  1.533,  -1.793,   3.152)  ( 0.00,  0.00,  0.00)
179:     electro (  0.122,  -0.447,   0.515)  (  0.122,  -0.447,   0.515)  ( 0.00,  0.00,  0.00)
179: 15       ( 72.737, 109.579, -59.037)  ( 62.796, 108.005, -52.228)  (13.67,  1.44, 11.53)
179:     bond    (  2.268,   0.918,   3.526)  (  2.270,   0.919,   3.532)  ( 0.12,  0.04,  0.18)
179:     angle   ( 44.112, 114.284, -58.082)  ( 44.112, 114.285, -58.082)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  4.938,   2.167,   7.080)  (  4.938,   2.167,   7.080)  ( 0.01,  0.01,  0.00)
179:     torsion ( -3.970,   1.783,   2.088)  ( -3.970,   1.783,   2.088)  ( 0.00,  0.00,  0.00)
179:     oop     ( 25.969,  -6.898, -14.899)  ( 16.024,  -8.474,  -8.097)  (38.29, 22.85, 45.66)
179:     vdw     (  0.595,  -0.501,   0.672)  (  0.595,  -0.501,   0.672)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.174,  -2.174,   0.579)  ( -1.174,  -2.174,   0.579)  ( 0.00,  0.00,  0.00)
179: 16       ( 10.862,  32.599,  -5.193)  ( 10.865,  32.600,  -5.193)  ( 0.03,  0.00,  0.01)
179:     bond    ( 12.564,  -2.116,  -0.282)  ( 12.567,  -2.116,  -0.282)  ( 0.02,  0.01,  0.00)
179:     angle   (  5.837,  35.355,  -5.146)  (  5.837,  35.356,  -5.145)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -6.059,   0.924,   0.108)  ( -6.059,   0.924,   0.108)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.025,   0.048,   0.772)  (  0.025,   0.048,   0.772)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.506,  -1.612,  -0.646)  ( -1.506,  -1.612,  -0.646)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       ( 23.103,  21.401, -13.776)  ( 23.104,  21.402, -13.774)  ( 0.00,  0.01,  0.01)
179:     bond    (  0.013,   7.722,   8.189)  (  0.013,   7.723,   8.191)  ( 0.00,  0.02,  0.02)
179:     angle   ( 23.319,  18.754, -17.721)  ( 23.319,  18.754, -17.721)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -0.112,  -4.214,  -4.433)  ( -0.112,  -4.214,  -4.433)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.254,  -0.191,   0.179)  (  0.254,  -0.191,   0.179)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.370,  -0.670,   0.010)  ( -0.370,  -0.670,   0.010)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       ( 33.905,  23.432,  15.855)  ( 33.905,  23.433,  15.857)  ( 0.00,  0.01,  0.01)
179:     bond    (  0.412,   8.070,  -8.784)  (  0.412,   8.072,  -8.782)  ( 0.00,  0.02,  0.02)
179:     angle   ( 35.086,  20.894,  20.850)  ( 35.086,  20.894,  20.850)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -0.271,  -3.980,   4.289)  ( -0.271,  -3.980,   4.289)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.050,  -0.044,  -0.038)  (  0.050,  -0.044,  -0.038)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.372,  -1.509,  -0.461)  ( -1.372,  -1.509,  -0.461)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       (  7.842,  13.549,  15.910)  (  7.843,  13.550,  15.912)  ( 0.01,  0.01,  0.01)
179:     bond    (  4.298,  -5.557,  10.878)  (  4.298,  -5.556,  10.880)  ( 0.01,  0.01,  0.02)
179:     angle   (  5.140,  17.037,   6.669)  (  5.140,  17.038,   6.669)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.222,   0.518,  -1.052)  ( -0.222,   0.518,  -1.052)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.333,  -0.021,  -0.143)  (  0.333,  -0.021,  -0.143)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.708,   1.572,  -0.443)  ( -1.707,   1.572,  -0.443)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       ( 24.224,   9.746,   3.735)  ( 24.225,   9.747,   3.737)  ( 0.00,  0.01,  0.06)
179:     bond    (  0.205,   8.145,  12.537)  (  0.205,   8.145,  12.539)  ( 0.00,  0.01,  0.02)
179:     angle   ( 25.409,   2.588,  -2.097)  ( 25.410,   2.588,  -2.096)  ( 0.00,  0.01,  0.01)
179:     strbnd  ( -0.027,  -1.112,  -1.794)  ( -0.027,  -1.112,  -1.794)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.559,  -0.957,   0.631)  ( -0.559,  -0.957,   0.631)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.804,   1.083,  -5.542)  ( -0.804,   1.083,  -5.542)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (-14.013,  -5.680, -13.049)  (-14.012,  -5.678, -13.048)  ( 0.01,  0.05,  0.00)
179:     bond    ( -4.768, -11.721,   2.019)  ( -4.767, -11.719,   2.019)  ( 0.01,  0.02,  0.01)
179:     angle   ( -9.742,   1.595, -13.739)  ( -9.741,   1.596, -13.738)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  0.618,   1.701,  -0.398)  (  0.618,   1.701,  -0.398)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.143,   0.073,   0.763)  (  0.143,   0.073,   0.763)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.264,   2.671,  -1.694)  ( -0.263,   2.671,  -1.694)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (-11.466, -17.731, -34.136)  (-11.464, -17.730, -34.135)  ( 0.02,  0.00,  0.00)
179:     bond    ( 10.515,  -3.031,  -3.787)  ( 10.517,  -3.031,  -3.787)  ( 0.02,  0.01,  0.01)
179:     angle   (-17.099, -17.314, -33.631)  (-17.099, -17.314, -33.630)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -4.687,   1.352,   1.833)  ( -4.687,   1.352,   1.833)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.036,  -0.401,   0.221)  ( -0.036,  -0.401,   0.221)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.159,   1.663,   1.228)  ( -0.159,   1.663,   1.228)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       (  9.654, -14.702, -18.379)  (  9.655, -14.701, -18.377)  ( 0.01,  0.01,  0.01)
179:     bond    ( -3.691,   5.903, -11.062)  ( -3.691,   5.904, -11.060)  ( 0.01,  0.01,  0.02)
179:     angle   ( 12.954, -19.869, -14.929)  ( 12.955, -19.869, -14.929)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  1.489,  -2.332,   4.677)  (  1.489,  -2.332,   4.677)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.247,  -0.126,   0.015)  ( -0.247,  -0.126,   0.015)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.851,   1.721,   2.920)  ( -0.851,   1.721,   2.920)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       ( 14.540,  -7.004, -26.289)  ( 14.541,  -7.001, -26.288)  ( 0.01,  0.04,  0.00)
179:     bond    ( -4.182,  -9.280,  -1.526)  ( -4.182,  -9.277,  -1.526)  ( 0.01,  0.03,  0.01)
179:     angle   ( 17.244,  -3.364, -26.810)  ( 17.244,  -3.364, -26.810)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  2.112,   4.668,   0.929)  (  2.112,   4.668,   0.929)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.199,  -0.107,   0.107)  (  0.199,  -0.107,   0.107)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.832,   1.079,   1.011)  ( -0.832,   1.079,   1.011)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       ( -2.164,  11.131,  -4.375)  ( -2.098,  11.194,  -4.198)  ( 3.06,  0.57,  4.03)
179:     bond    ( -0.517,  -0.905,   0.501)  ( -0.517,  -0.903,   0.502)  ( 0.04,  0.21,  0.04)
179:     angle   ( -5.394,   1.536,  -2.786)  ( -5.394,   1.537,  -2.786)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  4.247,   7.387,  -3.525)  (  4.247,   7.387,  -3.525)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.245,   2.897,   3.928)  ( -1.245,   2.897,   3.928)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.602,  -0.657,  -1.800)  ( -0.537,  -0.596,  -1.625)  ( 3.91,  3.97,  9.75)
179:     vdw     (  1.342,   0.777,  -0.631)  (  1.342,   0.777,  -0.631)  ( 0.00,  0.00,  0.00)
179:     electro (  0.006,   0.097,  -0.061)  (  0.006,   0.097,  -0.061)  ( 0.00,  0.00,  0.00)
179: 26       (  7.727,  -9.491, -15.626)  (  7.376,  -9.247, -15.019)  ( 4.55,  2.57,  3.89)
179:     bond    (  0.510,   0.130,   0.247)  (  0.513,   0.130,   0.248)  ( 0.15,  0.00,  0.02)
179:     angle   ( -0.687,  -4.473,   3.772)  ( -0.687,  -4.472,   3.772)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -3.764,  -0.803,  -0.766)  ( -3.764,  -0.803,  -0.766)  ( 0.00,  0.00,  0.01)
179:     torsion (  8.777,  -3.424, -16.387)  (  8.777,  -3.424, -16.387)  ( 0.00,  0.00,  0.00)
179:     oop     (  1.606,  -0.922,  -2.844)  (  1.252,  -0.679,  -2.237)  (22.07, 22.40, 21.34)
179:     vdw     (  1.106,  -0.058,   0.139)  (  1.106,  -0.058,   0.139)  ( 0.00,  0.00,  0.00)
179:     electro (  0.179,   0.059,   0.214)  (  0.179,   0.059,   0.214)  ( 0.00,  0.00,  0.00)
179: 27       (-10.244,  -1.168,  -0.252)  ( -9.709,  -0.459,  -0.350)  ( 5.21, 60.69,  2.46)
179:     bond    ( -0.257,   0.039,  -1.081)  ( -0.257,   0.039,  -1.078)  ( 0.01,  0.00,  0.33)
179:     angle   ( -2.751,   5.638,   0.859)  ( -2.751,   5.638,   0.859)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.092,   0.684,  -4.568)  ( -0.092,   0.685,  -4.568)  ( 0.00,  0.00,  0.00)
179:     torsion ( -4.710,  -4.641,   0.953)  ( -4.710,  -4.641,   0.953)  ( 0.00,  0.00,  0.00)
179:     oop     ( -2.117,  -3.288,   0.385)  ( -1.584,  -2.580,   0.284)  (25.20, 21.55,  3.90)
179:     vdw     ( -0.554,   0.339,   2.803)  ( -0.554,   0.339,   2.803)  ( 0.00,  0.00,  0.00)
179:     electro (  0.238,   0.061,   0.396)  (  0.238,   0.061,   0.396)  ( 0.00,  0.00,  0.00)
179: 28       (-35.334,  35.042, -12.778)  (-35.136,  35.088, -12.476)  ( 0.56,  0.13,  2.36)
179:     bond    ( -0.608,  -0.110,   0.410)  ( -0.606,  -0.110,   0.411)  ( 0.16,  0.00,  0.05)
179:     angle   (-20.084,  33.989, -20.477)  (-20.083,  33.989, -20.477)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-11.144,  -1.712,   8.116)  (-11.144,  -1.712,   8.116)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.403,   5.730,  -0.531)  ( -1.403,   5.730,  -0.531)  ( 0.00,  0.00,  0.00)
179:     oop     ( -1.298,  -1.456,  -2.303)  ( -1.102,  -1.410,  -2.002)  (15.09,  3.14, 13.07)
179:     vdw     ( -0.679,  -1.424,   2.000)  ( -0.679,  -1.424,   2.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.118,   0.025,   0.007)  ( -0.118,   0.025,   0.007)  ( 0.00,  0.00,  0.00)
179: 29       (  6.269,   4.842,  17.665)  (  6.271,   4.844,  17.666)  ( 0.04,  0.03,  0.00)
179:     bond    ( 13.347,   7.815,   1.928)  ( 13.349,   7.816,   1.928)  ( 0.02,  0.01,  0.01)
179:     angle   ( -3.942,   1.678,  20.486)  ( -3.942,   1.679,  20.487)  ( 0.01,  0.03,  0.00)
179:     strbnd  ( -1.485,  -0.391,  -0.372)  ( -1.485,  -0.391,  -0.372)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.296,   0.484,   0.090)  ( -0.296,   0.484,   0.090)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.355,  -4.745,  -4.467)  ( -1.355,  -4.744,  -4.467)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       ( -8.350,   0.131,  25.967)  ( -8.349,   0.134,  25.968)  ( 0.01,  0.04,  0.00)
179:     bond    ( -1.481,  11.557,   2.165)  ( -1.481,  11.560,   2.165)  ( 0.01,  0.03,  0.01)
179:     angle   ( -9.788,  -6.150,  26.139)  ( -9.788,  -6.150,  26.139)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  0.626,  -4.365,  -1.021)  (  0.626,  -4.365,  -1.021)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.782,   0.049,   0.957)  (  1.782,   0.049,   0.957)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.511,  -0.961,  -2.273)  (  0.511,  -0.961,  -2.273)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       (-14.899,  11.820,  16.748)  (-14.898,  11.820,  16.750)  ( 0.01,  0.01,  0.01)
179:     bond    (  5.176,  -2.757,  10.225)  (  5.177,  -2.757,  10.227)  ( 0.01,  0.01,  0.02)
179:     angle   (-19.241,  13.946,  13.498)  (-19.241,  13.947,  13.498)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -2.072,   1.072,  -4.471)  ( -2.072,   1.072,  -4.471)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.541,   0.941,  -0.020)  (  0.541,   0.941,  -0.020)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.698,  -1.382,  -2.484)  (  0.698,  -1.382,  -2.484)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       ( -4.993,  10.176,  24.023)  ( -4.991,  10.177,  24.024)  ( 0.05,  0.01,  0.00)
179:     bond    (-10.690,  -3.803,   2.337)  (-10.687,  -3.803,   2.338)  ( 0.02,  0.01,  0.01)
179:     angle   (  0.606,  13.614,  24.917)  (  0.606,  13.614,  24.917)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  3.553,   1.168,  -0.972)  (  3.553,   1.168,  -0.972)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.030,   0.061,  -0.037)  ( -0.030,   0.061,  -0.037)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.567,  -0.863,  -2.222)  (  1.567,  -0.863,  -2.222)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       ( 15.026, -20.398, -24.613)  ( 15.025, -20.394, -24.614)  ( 0.01,  0.02,  0.00)
179:     bond    ( -4.753, -12.511,   5.560)  ( -4.753, -12.507,   5.561)  ( 0.01,  0.03,  0.01)
179:     angle   ( 21.861, -17.415, -20.481)  ( 21.860, -17.414, -20.482)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  2.809,   8.054,  -3.331)  (  2.809,   8.054,  -3.331)  ( 0.00,  0.00,  0.00)
179:     torsion ( -6.332,  -0.435,  -6.389)  ( -6.334,  -0.435,  -6.390)  ( 0.02,  0.00,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.007,   0.074,  -0.052)  (  0.007,   0.074,  -0.052)  ( 0.00,  0.00,  0.00)
179:     electro (  1.436,   1.834,   0.082)  (  1.436,   1.834,   0.082)  ( 0.00,  0.00,  0.00)
179: ok 30 # gradients 
179: ok 31 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (  0.503,   0.593,   0.614)  (  0.557,   0.679,   0.432)  ( 2.71,  5.12, 11.17)
179:     bond    (  6.922,   0.175,   2.287)  (  6.926,   0.180,   2.292)  ( 0.06,  0.08,  0.20)
179:     angle   ( -5.931,   2.410,   0.271)  ( -5.930,   2.412,   0.272)  ( 0.03,  0.08,  0.04)
179:     strbnd  (  0.198,   0.872,   0.213)  (  0.197,   0.872,   0.213)  ( 0.01,  0.04,  0.01)
179:     torsion (  0.668,  -0.373,  -2.325)  (  0.668,  -0.373,  -2.325)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.334,  -0.538,   1.283)  ( -0.285,  -0.457,   1.096)  ( 1.63,  4.32, 14.61)
179:     vdw     ( -0.832,  -1.739,  -0.997)  ( -0.832,  -1.739,  -0.997)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.186,  -0.215,  -0.118)  ( -0.186,  -0.215,  -0.118)  ( 0.00,  0.00,  0.00)
179:  2       (  0.433,   1.527,  -2.187)  (  0.299,   1.272,  -1.566)  ( 5.83, 16.72, 28.38)
179:     bond    ( -2.739,   1.957,  -0.129)  ( -2.733,   1.965,  -0.128)  ( 0.24,  0.42,  0.02)
179:     angle   ( 14.443,  -7.136,   1.147)  ( 14.446,  -7.134,   1.148)  ( 0.02,  0.02,  0.06)
179:     strbnd  ( -7.334,   6.670,   1.385)  ( -7.335,   6.668,   1.385)  ( 0.01,  0.03,  0.02)
179:     torsion ( -0.037,   0.168,   0.014)  ( -0.037,   0.168,   0.014)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.865,   1.488,  -3.541)  (  0.722,   1.224,  -2.922)  (12.35, 17.72, 17.47)
179:     vdw     ( -4.625,  -1.230,  -1.537)  ( -4.625,  -1.230,  -1.537)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.140,  -0.389,   0.474)  ( -0.140,  -0.389,   0.474)  ( 0.00,  0.00,  0.00)
179:  3       ( -0.029,  -0.024,   0.069)  ( -0.028,  -0.021,   0.070)  ( 0.00,  0.01,  0.00)
179:     bond    (  0.134,   0.394,  -0.032)  (  0.135,   0.397,  -0.032)  ( 0.00,  0.12,  0.00)
179:     angle   (  1.589,  -0.626,  -1.067)  (  1.590,  -0.626,  -1.067)  ( 0.03,  0.00,  0.04)
179:     strbnd  (  0.319,   0.162,   0.070)  (  0.319,   0.162,   0.070)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.341,   0.212,   1.185)  ( -0.341,   0.212,   1.185)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.730,  -0.167,  -0.086)  ( -1.730,  -0.167,  -0.086)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (  0.009,  -0.000,   0.009)  (  0.010,   0.001,   0.011)  ( 0.00,  0.00,  0.00)
179:     bond    (  0.230,  -0.232,  -0.242)  (  0.231,  -0.231,  -0.241)  ( 0.03,  0.03,  0.03)
179:     angle   (  3.596,   2.214,   1.320)  (  3.596,   2.214,   1.320)  ( 0.01,  0.01,  0.02)
179:     strbnd  (  0.657,  -0.379,  -0.320)  (  0.657,  -0.379,  -0.320)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.004,   0.023,  -0.019)  (  0.004,   0.023,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.478,  -1.627,  -0.730)  ( -4.478,  -1.627,  -0.730)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( -0.022,  -0.019,   0.016)  ( -0.022,  -0.018,   0.019)  ( 0.00,  0.00,  0.01)
179:     bond    (  0.002,  -0.007,   0.018)  (  0.002,  -0.007,   0.021)  ( 0.00,  0.00,  0.01)
179:     angle   (  0.435,  -0.097,  -0.074)  (  0.436,  -0.096,  -0.074)  ( 0.02,  0.00,  0.00)
179:     strbnd  (  0.316,  -0.158,   0.593)  (  0.316,  -0.158,   0.593)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.046,   0.322,   0.110)  ( -0.046,   0.322,   0.110)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.730,  -0.080,  -0.631)  ( -0.730,  -0.080,  -0.631)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       ( -1.261, -10.162,  -2.054)  ( -1.171, -10.002,  -2.417)  ( 7.10,  1.58, 17.66)
179:     bond    ( -2.835,   3.345,   0.762)  ( -2.831,   3.350,   0.763)  ( 0.13,  0.16,  0.02)
179:     angle   ( -1.494,  -1.139,  -0.542)  ( -1.493,  -1.138,  -0.541)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  7.239,  -8.454,  -1.930)  (  7.239,  -8.454,  -1.930)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.143,   0.217,  -0.423)  (  0.143,   0.217,  -0.423)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.410,  -0.742,   1.739)  ( -0.325,  -0.588,   1.376)  ( 3.49, 11.48, 20.89)
179:     vdw     ( -4.309,  -6.669,  -2.520)  ( -4.309,  -6.669,  -2.520)  ( 0.00,  0.00,  0.00)
179:     electro (  0.405,   3.280,   0.859)  (  0.405,   3.280,   0.859)  ( 0.00,  0.00,  0.00)
179:  7       (  8.086,  -2.297,   5.227)  (  8.018,  -2.411,   5.470)  ( 0.83,  4.98,  4.67)
179:     bond    ( 17.866,  -2.904,   4.744)  ( 17.871,  -2.899,   4.745)  ( 0.03,  0.18,  0.03)
179:     angle   ( -8.512,  -0.397,  -1.184)  ( -8.510,  -0.396,  -1.183)  ( 0.02,  0.07,  0.06)
179:     strbnd  (  0.437,  -1.121,  -0.832)  (  0.437,  -1.122,  -0.833)  ( 0.02,  0.06,  0.02)
179:     torsion ( -1.343,  -1.618,   4.839)  ( -1.343,  -1.618,   4.840)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.386,   0.773,  -1.451)  (  0.312,   0.652,  -1.209)  ( 2.86,  9.34, 16.66)
179:     vdw     (  1.892,   2.121,   0.955)  (  1.893,   2.121,   0.955)  ( 0.01,  0.00,  0.00)
179:     electro ( -2.641,   0.850,  -1.845)  ( -2.641,   0.850,  -1.845)  ( 0.00,  0.00,  0.00)
179:  8       ( -1.549,   2.804,   0.093)  ( -1.512,   2.887,  -0.063)  ( 2.38,  2.95,  1.44)
179:     bond    ( -1.088,   0.983,   0.272)  ( -1.086,   0.985,   0.272)  ( 0.24,  0.21,  0.00)
179:     angle   ( -1.860,  -1.398,  -2.356)  ( -1.859,  -1.398,  -2.356)  ( 0.02,  0.02,  0.01)
179:     strbnd  ( -0.431,   2.009,   1.109)  ( -0.431,   2.009,   1.109)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.178,   0.549,  -1.277)  (  0.178,   0.549,  -1.277)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.244,  -0.585,   1.144)  ( -0.210,  -0.505,   0.988)  ( 0.82,  4.70, 13.65)
179:     vdw     (  1.404,   2.236,   1.130)  (  1.404,   2.236,   1.130)  ( 0.00,  0.00,  0.00)
179:     electro (  0.492,  -0.990,   0.070)  (  0.492,  -0.990,   0.070)  ( 0.00,  0.00,  0.00)
179:  9       (  2.604,   1.389,   2.014)  (  3.702,   2.430,   2.209)  (42.15, 74.99,  9.68)
179:     bond    ( -7.812,  -8.638,  -5.588)  ( -7.808,  -8.633,  -5.586)  ( 0.05,  0.05,  0.04)
179:     angle   ( 12.778,  11.374,  19.741)  ( 12.780,  11.376,  19.743)  ( 0.02,  0.02,  0.01)
179:     strbnd  (  4.362,   3.842,  -7.340)  (  4.361,   3.842,  -7.341)  ( 0.02,  0.02,  0.01)
179:     torsion ( -1.339,  -2.456,  -4.051)  ( -1.339,  -2.456,  -4.051)  ( 0.00,  0.00,  0.00)
179:     oop     ( -4.513,  -5.190,  -1.298)  ( -3.420,  -4.155,  -1.107)  (24.21, 19.95, 14.74)
179:     vdw     (  0.230,   3.142,   1.240)  (  0.230,   3.143,   1.240)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.103,  -0.686,  -0.690)  ( -1.103,  -0.686,  -0.690)  ( 0.00,  0.00,  0.00)
179: 10       ( -1.066,   5.610,  -2.893)  ( -0.982,   5.420,  -3.059)  ( 7.81,  3.39,  5.71)
179:     bond    ( -0.630,   1.775,  12.572)  ( -0.627,   1.778,  12.577)  ( 0.18,  0.16,  0.04)
179:     angle   (  6.045,   0.014, -16.923)  (  6.048,   0.016, -16.921)  ( 0.04,  0.00,  0.01)
179:     strbnd  ( -7.393,  -1.780,  -1.355)  ( -7.394,  -1.782,  -1.356)  ( 0.01,  0.08,  0.05)
179:     torsion ( -2.978,   1.047,  -0.463)  ( -2.978,   1.047,  -0.463)  ( 0.00,  0.00,  0.00)
179:     oop     (  1.166,   3.054,   2.028)  (  1.244,   2.860,   1.857)  ( 6.76,  6.34,  8.45)
179:     vdw     (  2.417,   3.304,   0.233)  (  2.417,   3.304,   0.233)  ( 0.00,  0.00,  0.00)
179:     electro (  0.307,  -1.802,   1.015)  (  0.307,  -1.802,   1.015)  ( 0.00,  0.00,  0.00)
179: 11       (  1.808,  -9.619,  -1.369)  (  2.211,  -7.418,  -0.964)  (22.27, 22.88, 29.59)
179:     bond    ( 10.742,   6.592,  -1.930)  ( 10.747,   6.594,  -1.926)  ( 0.05,  0.02,  0.18)
179:     angle   ( -4.937, -17.076,   7.817)  ( -4.936, -17.075,   7.819)  ( 0.04,  0.01,  0.03)
179:     strbnd  ( -1.830,  -0.656,   3.895)  ( -1.830,  -0.657,   3.894)  ( 0.03,  0.03,  0.01)
179:     torsion (  5.970,  14.380,  -7.419)  (  5.971,  14.380,  -7.419)  ( 0.00,  0.00,  0.00)
179:     oop     ( -6.219, -17.227,  -5.679)  ( -5.823, -15.030,  -5.279)  ( 6.37, 12.76,  7.04)
179:     vdw     ( -1.251,   1.961,   1.619)  ( -1.251,   1.961,   1.619)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.667,   2.408,   0.327)  ( -0.667,   2.408,   0.327)  ( 0.00,  0.00,  0.00)
179: 12       ( -0.015,  -0.043,  -0.016)  ( -0.014,  -0.042,  -0.013)  ( 0.00,  0.01,  0.00)
179:     bond    ( -0.064,  -0.227,  -0.383)  ( -0.063,  -0.226,  -0.380)  ( 0.00,  0.02,  0.10)
179:     angle   ( -5.122,  -0.874,   1.372)  ( -5.121,  -0.873,   1.372)  ( 0.01,  0.03,  0.01)
179:     strbnd  (  0.712,   0.432,   0.989)  (  0.712,   0.432,   0.989)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.289,  -0.711,   0.374)  (  0.289,  -0.711,   0.374)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.169,   1.337,  -2.368)  (  4.169,   1.337,  -2.368)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (  0.174,  -1.208,  -0.013)  (  0.176,  -1.206,  -0.012)  ( 0.04,  0.16,  0.00)
179:     bond    (  7.080, -17.260,   8.482)  (  7.081, -17.259,   8.482)  ( 0.02,  0.01,  0.00)
179:     angle   ( -5.148,   2.623,  -1.308)  ( -5.148,   2.624,  -1.307)  ( 0.00,  0.03,  0.05)
179:     strbnd  ( -0.387,   6.300,  -1.373)  ( -0.387,   6.299,  -1.373)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.837,   0.450,   0.871)  (  0.837,   0.450,   0.871)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.152,   6.289,  -6.678)  ( -2.152,   6.289,  -6.677)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.055,   0.391,  -0.007)  ( -0.055,   0.391,  -0.007)  ( 0.00,  0.00,  0.00)
179: 14       ( -1.151,   8.695,   3.501)  ( -5.409,   3.347,   2.087)  (369.90, 61.50, 40.40)
179:     bond    (  1.728,   7.650, -26.617)  (  1.731,   7.651, -26.606)  ( 0.18,  0.02,  0.04)
179:     angle   (-12.444,  -3.256,  -6.802)  (-12.443,  -3.255,  -6.800)  ( 0.01,  0.03,  0.03)
179:     strbnd  ( -0.283,  -8.072,  23.375)  ( -0.284,  -8.072,  23.374)  ( 0.01,  0.00,  0.01)
179:     torsion ( -1.208,  -7.791,   2.702)  ( -1.208,  -7.791,   2.702)  ( 0.01,  0.00,  0.00)
179:     oop     ( 16.911,  22.685,   7.558)  ( 12.649,  17.335,   6.131)  (25.21, 23.58, 18.88)
179:     vdw     ( -7.544,  -1.421,   3.983)  ( -7.544,  -1.421,   3.983)  ( 0.00,  0.00,  0.00)
179:     electro (  1.689,  -1.100,  -0.697)  (  1.689,  -1.100,  -0.697)  ( 0.00,  0.00,  0.00)
179: 15       (  0.005,   0.033,  -0.033)  (  0.006,   0.036,  -0.032)  ( 0.00,  0.01,  0.00)
179:     bond    ( -0.124,  -3.231,  -0.971)  ( -0.124,  -3.228,  -0.971)  ( 0.00,  0.10,  0.03)
179:     angle   (  4.975,   0.074,  -0.882)  (  4.976,   0.074,  -0.882)  ( 0.01,  0.00,  0.04)
179:     strbnd  ( -1.156,   1.633,  -0.157)  ( -1.156,   1.633,  -0.157)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.003,  -0.118,   0.391)  ( -0.003,  -0.118,   0.391)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.688,   1.674,   1.586)  ( -3.688,   1.674,   1.586)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       ( -7.534,  -3.810,   1.039)  ( -4.877,  -0.640,   2.015)  (35.26, 83.21, 93.87)
179:     bond    ( -4.283,  -2.663,  20.496)  ( -4.282,  -2.663,  20.505)  ( 0.01,  0.00,  0.05)
179:     angle   ( -0.168,   2.881,   0.339)  ( -0.168,   2.882,   0.339)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  4.201,   1.886, -19.314)  (  4.201,   1.886, -19.314)  ( 0.00,  0.01,  0.00)
179:     torsion (  1.537,   3.049,   0.717)  (  1.537,   3.049,   0.717)  ( 0.00,  0.00,  0.00)
179:     oop     ( -7.000,  -8.683,  -2.589)  ( -4.344,  -5.513,  -1.623)  (37.94, 36.51, 37.31)
179:     vdw     ( -3.415,  -0.431,   2.105)  ( -3.415,  -0.431,   2.105)  ( 0.00,  0.00,  0.00)
179:     electro (  1.594,   0.150,  -0.714)  (  1.594,   0.150,  -0.714)  ( 0.00,  0.00,  0.00)
179: 17       ( -0.036,   2.770,  -1.504)  ( -0.031,   2.774,  -1.500)  ( 0.02,  0.15,  0.30)
179:     bond    ( -7.091,   2.130,  -1.977)  ( -7.088,   2.132,  -1.974)  ( 0.05,  0.14,  0.17)
179:     angle   (  4.462,   8.345,  -1.889)  (  4.464,   8.347,  -1.887)  ( 0.04,  0.02,  0.09)
179:     strbnd  (  3.433,  -7.634,   3.029)  (  3.432,  -7.635,   3.028)  ( 0.02,  0.01,  0.02)
179:     torsion ( -1.295,  -0.201,  -0.359)  ( -1.295,  -0.201,  -0.359)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.436,   1.064,  -0.784)  (  0.436,   1.064,  -0.784)  ( 0.00,  0.00,  0.00)
179:     electro (  0.019,  -0.933,   0.477)  (  0.019,  -0.933,   0.477)  ( 0.00,  0.00,  0.00)
179: 18       (  4.892,  -0.985,   0.285)  (  5.287,  -1.716,  -0.060)  ( 8.09, 71.97,  9.84)
179:     bond    (  2.690,  -5.259,  -9.175)  (  2.694,  -5.255,  -9.171)  ( 0.14,  0.07,  0.05)
179:     angle   (  0.459,   8.749,   5.203)  (  0.461,   8.751,   5.206)  ( 0.09,  0.02,  0.04)
179:     strbnd  (  3.654,  -2.284,  -2.072)  (  3.653,  -2.285,  -2.073)  ( 0.03,  0.02,  0.02)
179:     torsion (  2.026,  -5.810,   3.568)  (  2.026,  -5.810,   3.568)  ( 0.00,  0.00,  0.00)
179:     oop     ( -2.189,   4.693,   2.103)  ( -1.798,   3.957,   1.752)  (17.86, 15.67, 16.70)
179:     vdw     (  0.057,  -1.642,   0.671)  (  0.057,  -1.642,   0.671)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.806,   0.567,  -0.013)  ( -1.806,   0.567,  -0.013)  ( 0.00,  0.00,  0.00)
179: 19       (  0.014,  -0.054,   0.035)  (  0.020,  -0.048,   0.040)  ( 0.01,  0.03,  0.02)
179:     bond    ( -4.572,   7.582,   9.251)  ( -4.568,   7.586,   9.256)  ( 0.10,  0.06,  0.05)
179:     angle   (  4.311, -10.172,  -3.123)  (  4.312, -10.170,  -3.121)  ( 0.04,  0.02,  0.06)
179:     strbnd  ( -2.161,   2.017,   1.879)  ( -2.161,   2.016,   1.878)  ( 0.02,  0.03,  0.04)
179:     torsion ( -0.707,  -0.056,  -0.329)  ( -0.707,  -0.056,  -0.328)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.144,   0.575,  -7.644)  (  3.144,   0.575,  -7.644)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       (  0.055,   0.023,  -0.083)  (  0.061,   0.028,  -0.077)  ( 0.03,  0.01,  0.05)
179:     bond    ( -7.858,  -5.077,  -5.109)  ( -7.854,  -5.072,  -5.105)  ( 0.05,  0.09,  0.09)
179:     angle   (  6.358,   2.036,   6.266)  (  6.360,   2.038,   6.268)  ( 0.03,  0.09,  0.03)
179:     strbnd  ( -2.171,  -0.422,  -1.231)  ( -2.172,  -0.423,  -1.232)  ( 0.04,  0.02,  0.05)
179:     torsion (  0.971,  -0.883,  -0.568)  (  0.971,  -0.883,  -0.568)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.756,   4.369,   0.559)  (  2.756,   4.369,   0.559)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (  0.488,   0.737,  -2.713)  ( -0.474,   0.559,  -1.918)  (46.96, 13.13, 29.31)
179:     bond    ( -7.303,  18.452,  -4.755)  ( -7.301,  18.461,  -4.751)  ( 0.03,  0.05,  0.10)
179:     angle   ( 11.493, -17.158,   1.980)  ( 11.494, -17.156,   1.981)  ( 0.01,  0.01,  0.07)
179:     strbnd  ( -4.739,   3.053,  -5.420)  ( -4.739,   3.052,  -5.421)  ( 0.01,  0.04,  0.02)
179:     torsion ( -1.507,   0.152,   2.650)  ( -1.507,   0.152,   2.650)  ( 0.01,  0.00,  0.00)
179:     oop     (  5.247,   1.013,  -4.389)  (  4.282,   0.825,  -3.599)  (18.39, 18.57, 18.00)
179:     vdw     ( -2.898,  -4.553,   6.605)  ( -2.898,  -4.553,   6.605)  ( 0.00,  0.00,  0.00)
179:     electro (  0.195,  -0.222,   0.617)  (  0.195,  -0.222,   0.617)  ( 0.00,  0.00,  0.00)
179: 22       (  0.011,   0.068,   0.026)  (  0.012,   0.070,   0.029)  ( 0.00,  0.01,  0.01)
179:     bond    (  0.328,  -2.247,  -3.859)  (  0.328,  -2.246,  -3.857)  ( 0.00,  0.04,  0.06)
179:     angle   ( -0.121,   1.446,  -0.853)  ( -0.120,   1.446,  -0.853)  ( 0.01,  0.03,  0.01)
179:     strbnd  (  0.002,   0.481,   0.353)  (  0.002,   0.481,   0.353)  ( 0.00,  0.00,  0.00)
179:     torsion ( -2.329,  -0.221,  -0.069)  ( -2.329,  -0.221,  -0.069)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.131,   0.609,   4.454)  (  2.131,   0.609,   4.454)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( -3.234,   0.160,   0.213)  ( -3.041,   0.205,   0.050)  ( 5.98,  0.73,  3.48)
179:     bond    (  2.346,  -0.713,   2.597)  (  2.348,  -0.708,   2.600)  ( 0.09,  0.35,  0.10)
179:     angle   ( -9.647,   2.693,  -9.181)  ( -9.647,   2.694,  -9.181)  ( 0.00,  0.05,  0.00)
179:     strbnd  (  2.977,   2.363,   3.838)  (  2.977,   2.363,   3.837)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.013,   0.016,  -0.011)  (  0.013,   0.016,  -0.011)  ( 0.00,  0.00,  0.00)
179:     oop     ( -1.579,  -0.309,   1.374)  ( -1.388,  -0.270,   1.208)  (12.09,  1.23, 12.08)
179:     vdw     (  1.642,  -3.834,   1.605)  (  1.642,  -3.834,   1.605)  ( 0.00,  0.00,  0.00)
179:     electro (  1.014,  -0.057,  -0.008)  (  1.014,  -0.057,  -0.008)  ( 0.00,  0.00,  0.00)
179: 24       (  0.004,   0.003,  -0.053)  (  0.005,   0.004,  -0.052)  ( 0.00,  0.00,  0.01)
179:     bond    ( -1.196,   1.182,  -0.827)  ( -1.194,   1.183,  -0.827)  ( 0.12,  0.11,  0.05)
179:     angle   ( -1.332,  -1.852,  -0.728)  ( -1.331,  -1.852,  -0.727)  ( 0.02,  0.02,  0.03)
179:     strbnd  (  0.241,  -1.027,   0.189)  (  0.241,  -1.026,   0.189)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.038,   0.002,   0.057)  ( -0.038,   0.002,   0.057)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.329,   1.697,   1.256)  (  2.329,   1.697,   1.256)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       ( -0.012,  -0.040,  -0.043)  ( -0.010,  -0.039,  -0.041)  ( 0.00,  0.01,  0.01)
179:     bond    ( -1.200,  -1.265,   1.435)  ( -1.199,  -1.264,   1.436)  ( 0.08,  0.08,  0.10)
179:     angle   ( -2.311,  -0.524,  -2.391)  ( -2.311,  -0.524,  -2.391)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -0.046,   0.131,  -0.817)  ( -0.046,   0.131,  -0.817)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.070,  -0.086,  -0.017)  (  0.070,  -0.086,  -0.017)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.476,   1.704,   1.748)  (  3.476,   1.704,   1.748)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       (  0.017,   0.031,  -0.062)  (  0.018,   0.032,  -0.060)  ( 0.00,  0.00,  0.01)
179:     bond    (  0.799,  -1.340,  -1.580)  (  0.799,  -1.338,  -1.578)  ( 0.04,  0.09,  0.11)
179:     angle   ( -3.338,  -0.613,  -1.171)  ( -3.337,  -0.613,  -1.171)  ( 0.01,  0.02,  0.02)
179:     strbnd  ( -0.745,   0.134,   0.227)  ( -0.745,   0.134,   0.227)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.007,  -0.067,   0.060)  (  0.007,  -0.067,   0.060)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.293,   1.916,   2.401)  (  3.293,   1.916,   2.401)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       ( -0.029,  -0.013,  -0.016)  ( -0.027,  -0.011,  -0.015)  ( 0.01,  0.00,  0.00)
179:     bond    ( -1.391,   1.340,  -0.747)  ( -1.389,   1.342,  -0.747)  ( 0.11,  0.11,  0.03)
179:     angle   ( -1.015,   0.530,   2.839)  ( -1.015,   0.530,   2.840)  ( 0.02,  0.01,  0.02)
179:     strbnd  (  0.553,  -0.368,   1.021)  (  0.553,  -0.368,   1.021)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.250,  -0.232,   0.047)  ( -0.250,  -0.232,   0.047)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.074,  -1.282,  -3.176)  (  2.074,  -1.282,  -3.176)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       ( -0.034,  -0.055,  -0.010)  ( -0.032,  -0.053,  -0.008)  ( 0.01,  0.01,  0.00)
179:     bond    (  1.317,   0.998,   0.899)  (  1.318,   0.999,   0.900)  ( 0.13,  0.10,  0.07)
179:     angle   ( -2.910,   1.945,   2.102)  ( -2.910,   1.946,   2.102)  ( 0.01,  0.02,  0.02)
179:     strbnd  ( -0.799,   0.069,   0.229)  ( -0.799,   0.069,   0.229)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.012,   0.069,  -0.059)  ( -0.012,   0.069,  -0.059)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.371,  -3.136,  -3.182)  (  2.371,  -3.135,  -3.182)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       ( -0.014,  -0.055,  -0.036)  ( -0.012,  -0.054,  -0.034)  ( 0.00,  0.01,  0.01)
179:     bond    ( -1.198,  -1.403,   1.700)  ( -1.197,  -1.402,   1.701)  ( 0.06,  0.08,  0.09)
179:     angle   ( -1.824,   2.897,   1.105)  ( -1.823,   2.897,   1.105)  ( 0.02,  0.01,  0.02)
179:     strbnd  (  0.202,   1.021,  -0.133)  (  0.202,   1.021,  -0.133)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.274,  -0.031,   0.167)  (  0.274,  -0.031,   0.167)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.531,  -2.539,  -2.875)  (  2.532,  -2.539,  -2.875)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       (  7.205,   2.240,   7.247)  (  7.205,   2.245,   7.247)  ( 0.01,  0.22,  0.01)
179:     bond    ( -0.177,   0.738,  -0.096)  ( -0.177,   0.743,  -0.096)  ( 0.01,  0.36,  0.00)
179:     angle   (  8.417,   3.317,  10.163)  (  8.417,   3.317,  10.163)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  0.382,  -1.272,   0.256)  (  0.382,  -1.272,   0.256)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.882,   0.111,  -0.766)  (  0.882,   0.111,  -0.766)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.106,   0.075,   0.091)  (  0.106,   0.075,   0.091)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.405,  -0.728,  -2.400)  ( -2.405,  -0.728,  -2.400)  ( 0.00,  0.00,  0.00)
179: 31       (-10.418,   1.586,  -7.406)  ( -9.943,   1.689,  -7.787)  ( 4.56,  6.45,  5.14)
179:     bond    ( -0.691,  -2.922,  -1.578)  ( -0.691,  -2.915,  -1.576)  ( 0.03,  0.24,  0.13)
179:     angle   (-11.279,   8.740, -11.218)  (-11.279,   8.740, -11.218)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -0.400,   0.562,  -0.346)  ( -0.400,   0.562,  -0.346)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.438,  -0.113,   0.402)  ( -0.438,  -0.113,   0.402)  ( 0.00,  0.00,  0.00)
179:     oop     ( -2.089,  -0.433,   1.715)  ( -1.615,  -0.338,   1.332)  (22.71,  4.11, 22.34)
179:     vdw     (  1.193,  -3.724,   0.966)  (  1.193,  -3.724,   0.966)  ( 0.00,  0.00,  0.00)
179:     electro (  3.286,  -0.524,   2.653)  (  3.286,  -0.524,   2.653)  ( 0.00,  0.00,  0.00)
179: ok 32 # gradients 
179: ok 33 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (  0.511,  -0.096,  -0.005)  (  0.520,  -0.092,   0.001)  ( 0.45,  0.03,  0.00)
179:     bond    (  9.838,  -1.834,   0.007)  (  9.844,  -1.832,   0.011)  ( 0.07,  0.10,  0.00)
179:     angle   (  6.646,  -1.255,  -0.018)  (  6.648,  -1.254,  -0.017)  ( 0.03,  0.05,  0.00)
179:     strbnd  ( -3.095,   0.579,   0.001)  ( -3.095,   0.579,   0.001)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,   0.001,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (-12.705,   2.379,   0.009)  (-12.705,   2.379,   0.009)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.173,   0.032,   0.000)  ( -0.173,   0.032,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       ( -0.075,   0.318,   0.474)  ( -0.066,   0.334,   0.472)  ( 0.07,  0.52,  0.08)
179:     bond    ( 15.243,  -7.110,  -6.312)  ( 15.248,  -7.108,  -6.308)  ( 0.04,  0.03,  0.07)
179:     angle   ( -4.881,  -0.262,  -1.754)  ( -4.879,  -0.261,  -1.753)  ( 0.04,  0.02,  0.09)
179:     strbnd  ( -1.609,   1.725,   2.154)  ( -1.609,   1.725,   2.154)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.015,   0.078,  -0.054)  (  0.015,   0.079,  -0.054)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.015,  -0.078,   0.052)  ( -0.012,  -0.066,   0.044)  ( 0.00,  0.10,  0.04)
179:     vdw     ( -8.822,   6.095,   6.582)  ( -8.822,   6.095,   6.582)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.006,  -0.130,  -0.194)  ( -0.006,  -0.130,  -0.194)  ( 0.00,  0.00,  0.00)
179:  3       ( -0.080,   0.261,   0.300)  ( -0.079,   0.234,   0.325)  ( 0.01,  0.70,  0.76)
179:     bond    (  0.609,  -8.879, -13.408)  (  0.614,  -8.877, -13.405)  ( 0.30,  0.02,  0.03)
179:     angle   ( -7.772,   3.135,   2.969)  ( -7.770,   3.136,   2.970)  ( 0.02,  0.03,  0.05)
179:     strbnd  (  2.453,  -0.620,  -0.234)  (  2.453,  -0.620,  -0.235)  ( 0.01,  0.01,  0.01)
179:     torsion ( -0.243,   0.162,   0.098)  ( -0.243,   0.163,   0.098)  ( 0.00,  0.01,  0.00)
179:     oop     (  0.034,   0.181,  -0.121)  (  0.028,   0.151,  -0.101)  ( 0.02,  0.55,  0.25)
179:     vdw     (  4.751,   6.373,  11.116)  (  4.751,   6.373,  11.116)  ( 0.00,  0.00,  0.00)
179:     electro (  0.088,  -0.091,  -0.119)  (  0.088,  -0.091,  -0.119)  ( 0.00,  0.00,  0.00)
179:  4       ( -0.195,   0.032,   0.015)  ( -0.188,   0.037,   0.020)  ( 0.13,  0.02,  0.01)
179:     bond    ( -7.919,   1.496,   0.029)  ( -7.915,   1.498,   0.032)  ( 0.06,  0.11,  0.01)
179:     angle   (  7.321,  -1.377,  -0.013)  (  7.323,  -1.376,  -0.012)  ( 0.03,  0.07,  0.00)
179:     strbnd  ( -7.154,   1.339,   0.000)  ( -7.155,   1.339,   0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.002,  -0.005,   0.001)  ( -0.002,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.001,  -0.007,   0.004)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.561,  -1.415,  -0.006)  (  7.562,  -1.415,  -0.006)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( -0.246,  -0.217,  -0.384)  ( -0.235,  -0.186,  -0.397)  ( 0.29,  0.67,  0.50)
179:     bond    (  3.740,   8.034,  13.340)  (  3.745,   8.036,  13.343)  ( 0.13,  0.02,  0.03)
179:     angle   ( -8.410,  -0.116,  -2.962)  ( -8.408,  -0.115,  -2.960)  ( 0.02,  0.01,  0.05)
179:     strbnd  (  2.516,  -0.308,   0.233)  (  2.515,  -0.309,   0.233)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.284,  -0.056,  -0.104)  ( -0.284,  -0.055,  -0.103)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.031,  -0.165,   0.109)  ( -0.025,  -0.137,   0.091)  ( 0.02,  0.46,  0.20)
179:     vdw     (  2.108,  -7.659, -11.120)  (  2.108,  -7.659, -11.120)  ( 0.00,  0.00,  0.00)
179:     electro (  0.115,   0.053,   0.119)  (  0.115,   0.053,   0.119)  ( 0.00,  0.00,  0.00)
179:  6       ( -0.141,  -0.330,  -0.527)  ( -0.136,  -0.337,  -0.513)  ( 0.08,  0.25,  0.74)
179:     bond    ( 16.822,   1.066,   6.232)  ( 16.827,   1.068,   6.236)  ( 0.03,  0.19,  0.07)
179:     angle   ( -4.438,   2.007,   1.762)  ( -4.436,   2.007,   1.763)  ( 0.05,  0.03,  0.09)
179:     strbnd  ( -2.127,  -1.024,  -2.150)  ( -2.127,  -1.024,  -2.150)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.016,  -0.084,   0.056)  ( -0.016,  -0.083,   0.056)  ( 0.00,  0.01,  0.00)
179:     oop     (  0.013,   0.071,  -0.048)  (  0.011,   0.060,  -0.040)  ( 0.00,  0.08,  0.04)
179:     vdw     (-10.436,  -2.488,  -6.572)  (-10.436,  -2.488,  -6.572)  ( 0.00,  0.00,  0.00)
179:     electro (  0.041,   0.123,   0.194)  (  0.041,   0.123,   0.194)  ( 0.00,  0.00,  0.00)
179:  7       (  0.083,   0.029,  -0.027)  (  0.090,   0.034,  -0.024)  ( 0.06,  0.02,  0.01)
179:     bond    ( -5.715,   1.120,  -0.030)  ( -5.710,   1.124,  -0.028)  ( 0.08,  0.35,  0.00)
179:     angle   ( -3.925,   0.733,   0.006)  ( -3.923,   0.734,   0.007)  ( 0.05,  0.10,  0.00)
179:     strbnd  ( 10.212,  -1.917,  -0.002)  ( 10.212,  -1.917,  -0.002)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.489,   0.094,  -0.002)  ( -0.488,   0.094,  -0.002)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       ( -0.108,   1.157,  -0.705)  ( -0.101,   1.163,  -0.702)  ( 0.08,  0.53,  0.24)
179:     bond    ( -3.483, -12.638,   7.907)  ( -3.478, -12.633,   7.908)  ( 0.16,  0.03,  0.02)
179:     angle   (  3.798,   0.832,  -0.921)  (  3.800,   0.834,  -0.921)  ( 0.04,  0.11,  0.04)
179:     strbnd  (  1.060,  -1.300,   0.656)  (  1.060,  -1.300,   0.656)  ( 0.02,  0.01,  0.00)
179:     torsion (  0.019,   0.099,   0.166)  (  0.019,   0.099,   0.167)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.505,  14.542,  -8.739)  ( -1.505,  14.542,  -8.739)  ( 0.01,  0.00,  0.00)
179:     electro (  0.004,  -0.378,   0.228)  (  0.004,  -0.378,   0.228)  ( 0.00,  0.00,  0.00)
179:  9       (  0.009,  -0.348,   0.187)  (  0.016,  -0.342,   0.191)  ( 0.01,  0.21,  0.07)
179:     bond    ( -2.492,  -7.482,   4.725)  ( -2.486,  -7.478,   4.727)  ( 0.23,  0.05,  0.03)
179:     angle   ( -4.105,  -3.933,   2.798)  ( -4.103,  -3.931,   2.798)  ( 0.04,  0.03,  0.02)
179:     strbnd  ( -4.222,   0.031,   0.453)  ( -4.222,   0.031,   0.453)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.000,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.835,  10.954,  -7.728)  ( 10.835,  10.954,  -7.728)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.006,   0.087,  -0.052)  ( -0.006,   0.087,  -0.052)  ( 0.00,  0.00,  0.00)
179: 10       (  2.631,  -0.498,   0.003)  (  2.635,  -0.493,   0.006)  ( 0.16,  0.24,  0.00)
179:     bond    (-13.181,   2.472,   0.003)  (-13.178,   2.476,   0.004)  ( 0.02,  0.16,  0.00)
179:     angle   (  8.282,  -1.555,  -0.003)  (  8.284,  -1.555,  -0.003)  ( 0.02,  0.02,  0.00)
179:     strbnd  (  0.147,  -0.037,   0.005)  (  0.147,  -0.037,   0.006)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.264,  -1.546,  -0.006)  (  8.265,  -1.546,  -0.006)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.883,   0.165,   0.001)  ( -0.883,   0.165,   0.001)  ( 0.00,  0.00,  0.00)
179: 11       (  0.028,   0.306,  -0.205)  (  0.035,   0.312,  -0.201)  ( 0.02,  0.19,  0.08)
179:     bond    (  0.276,   7.851,  -4.706)  (  0.282,   7.855,  -4.705)  ( 0.16,  0.05,  0.03)
179:     angle   ( -2.425,   5.161,  -2.800)  ( -2.424,   5.163,  -2.800)  ( 0.07,  0.03,  0.02)
179:     strbnd  ( -3.937,   1.510,  -0.456)  ( -3.938,   1.510,  -0.456)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.153, -14.132,   7.716)  (  6.153, -14.132,   7.716)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.037,  -0.079,   0.052)  ( -0.037,  -0.079,   0.052)  ( 0.00,  0.00,  0.00)
179: 12       ( -0.373,  -1.134,   0.744)  ( -0.366,  -1.129,   0.747)  ( 0.27,  0.47,  0.19)
179:     bond    (  1.440,  12.965,  -7.881)  (  1.446,  12.969,  -7.880)  ( 0.38,  0.03,  0.02)
179:     angle   (  3.262,  -2.172,   0.925)  (  3.264,  -2.171,   0.925)  ( 0.05,  0.06,  0.04)
179:     strbnd  (  1.447,   0.834,  -0.660)  (  1.447,   0.834,  -0.660)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.018,  -0.096,  -0.161)  ( -0.018,  -0.095,  -0.160)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -6.645, -13.018,   8.747)  ( -6.645, -13.018,   8.747)  ( 0.00,  0.00,  0.00)
179:     electro (  0.140,   0.351,  -0.228)  (  0.140,   0.351,  -0.228)  ( 0.00,  0.00,  0.00)
179: 13       ( -0.263,  -0.228,   0.157)  ( -0.261,  -0.226,   0.159)  ( 0.05,  0.05,  0.02)
179:     bond    (  0.532,   0.585,  -0.410)  (  0.533,   0.587,  -0.409)  ( 0.07,  0.10,  0.03)
179:     angle   ( -1.375,   0.959,  -0.417)  ( -1.375,   0.959,  -0.417)  ( 0.03,  0.02,  0.00)
179:     strbnd  ( -0.291,   0.302,  -0.147)  ( -0.291,   0.302,  -0.147)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.002,  -0.013,  -0.021)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.001,  -0.001)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.782,  -2.146,   1.210)  (  0.782,  -2.146,   1.210)  ( 0.00,  0.00,  0.00)
179:     electro (  0.092,   0.086,  -0.056)  (  0.092,   0.086,  -0.056)  ( 0.00,  0.00,  0.00)
179: 14       ( -0.602,   0.636,  -0.300)  ( -0.601,   0.639,  -0.299)  ( 0.08,  0.16,  0.03)
179:     bond    ( -0.713,   1.410,  -0.761)  ( -0.713,   1.412,  -0.760)  ( 0.04,  0.17,  0.05)
179:     angle   ( -1.054,  -0.355,   0.329)  ( -1.053,  -0.355,   0.329)  ( 0.06,  0.00,  0.00)
179:     strbnd  (  0.385,   0.200,  -0.162)  (  0.385,   0.200,  -0.162)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,   0.005,   0.009)  (  0.001,   0.006,   0.009)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.575,  -0.404,   0.175)  (  0.575,  -0.404,   0.175)  ( 0.00,  0.00,  0.00)
179:     electro (  0.205,  -0.220,   0.109)  (  0.205,  -0.220,   0.109)  ( 0.00,  0.00,  0.00)
179: 15       (  0.332,  -0.118,  -0.060)  (  0.339,  -0.102,  -0.061)  ( 0.25,  0.18,  0.01)
179:     bond    ( -7.125,  -4.896,  -9.263)  ( -7.121,  -4.892,  -9.259)  ( 0.06,  0.09,  0.05)
179:     angle   (  6.393,   2.270,   5.666)  (  6.394,   2.272,   5.667)  ( 0.03,  0.07,  0.03)
179:     strbnd  (  0.273,  -0.725,  -1.181)  (  0.272,  -0.726,  -1.182)  ( 0.02,  0.04,  0.08)
179:     torsion (  1.289,  -0.354,  -0.774)  (  1.289,  -0.353,  -0.774)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.010,  -0.056,   0.038)  ( -0.009,  -0.047,   0.031)  ( 0.00,  0.05,  0.02)
179:     vdw     ( -0.361,   3.610,   5.432)  ( -0.361,   3.610,   5.432)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.126,   0.033,   0.024)  ( -0.126,   0.033,   0.024)  ( 0.00,  0.00,  0.00)
179: 16       (  1.094,  -0.202,   0.008)  (  1.098,  -0.201,   0.009)  ( 0.42,  0.01,  0.00)
179:     bond    ( -1.105,   0.206,   0.001)  ( -1.100,   0.206,   0.001)  ( 0.41,  0.00,  0.00)
179:     angle   (  0.001,   0.005,   0.007)  (  0.001,   0.005,   0.007)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  3.048,  -0.570,  -0.001)  (  3.048,  -0.570,  -0.001)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.498,   0.093,   0.000)  ( -0.498,   0.093,   0.001)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.353,   0.066,   0.000)  ( -0.353,   0.066,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       ( -1.177,  -0.211,  -0.630)  ( -1.176,  -0.211,  -0.627)  ( 0.12,  0.01,  0.21)
179:     bond    ( -0.132,   0.174,   0.223)  ( -0.131,   0.175,   0.225)  ( 0.01,  0.03,  0.05)
179:     angle   (  1.479,   0.192,   0.711)  (  1.480,   0.192,   0.711)  ( 0.05,  0.00,  0.01)
179:     strbnd  (  1.315,  -1.062,  -1.217)  (  1.315,  -1.062,  -1.217)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.011,  -0.057,   0.038)  ( -0.011,  -0.057,   0.038)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,   0.006,  -0.004)  (  0.001,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.211,   0.450,  -0.614)  ( -4.210,   0.450,  -0.614)  ( 0.00,  0.00,  0.00)
179:     electro (  0.380,   0.086,   0.234)  (  0.380,   0.086,   0.234)  ( 0.00,  0.00,  0.00)
179: 18       (  0.347,  -0.021,   0.119)  (  0.351,  -0.024,   0.130)  ( 0.15,  0.01,  0.13)
179:     bond    ( -4.885,   7.159,   9.319)  ( -4.880,   7.163,   9.323)  ( 0.09,  0.06,  0.05)
179:     angle   (  5.152,  -4.463,  -5.651)  (  5.154,  -4.462,  -5.649)  ( 0.04,  0.03,  0.03)
179:     strbnd  (  0.516,   0.583,   1.171)  (  0.515,   0.582,   1.170)  ( 0.03,  0.04,  0.08)
179:     torsion (  1.334,  -0.130,   0.768)  (  1.334,  -0.130,   0.768)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.010,   0.051,  -0.034)  (  0.008,   0.042,  -0.028)  ( 0.00,  0.04,  0.02)
179:     vdw     ( -1.650,  -3.234,  -5.431)  ( -1.650,  -3.234,  -5.431)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.129,   0.014,  -0.024)  ( -0.129,   0.014,  -0.024)  ( 0.00,  0.00,  0.00)
179: 19       ( -0.995,   0.639,   0.659)  ( -0.993,   0.641,   0.661)  ( 0.24,  0.13,  0.13)
179:     bond    ( -0.161,  -0.100,  -0.195)  ( -0.159,  -0.099,  -0.193)  ( 0.03,  0.01,  0.05)
179:     angle   (  1.304,  -0.712,  -0.711)  (  1.305,  -0.712,  -0.711)  ( 0.04,  0.01,  0.01)
179:     strbnd  (  1.615,   0.513,   1.214)  (  1.615,   0.513,   1.214)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.011,   0.057,  -0.038)  (  0.011,   0.058,  -0.038)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.001,  -0.006,   0.004)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.086,   1.106,   0.619)  ( -4.086,   1.106,   0.619)  ( 0.00,  0.00,  0.00)
179:     electro (  0.323,  -0.218,  -0.234)  (  0.323,  -0.218,  -0.234)  ( 0.00,  0.00,  0.00)
179: 20       ( -0.147,   0.296,  -0.160)  ( -0.146,   0.299,  -0.159)  ( 0.02,  0.08,  0.01)
179:     bond    (  0.288,  -0.750,   0.412)  (  0.289,  -0.747,   0.413)  ( 0.01,  0.20,  0.03)
179:     angle   ( -1.609,  -0.393,   0.414)  ( -1.608,  -0.393,   0.414)  ( 0.04,  0.00,  0.00)
179:     strbnd  ( -0.388,  -0.178,   0.149)  ( -0.388,  -0.178,   0.149)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.002,   0.011,   0.019)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.503,   1.719,  -1.212)  (  1.503,   1.719,  -1.212)  ( 0.00,  0.00,  0.00)
179:     electro (  0.055,  -0.113,   0.056)  (  0.055,  -0.113,   0.056)  ( 0.00,  0.00,  0.00)
179: 21       ( -0.773,  -0.355,   0.288)  ( -0.771,  -0.353,   0.289)  ( 0.16,  0.06,  0.02)
179:     bond    ( -1.156,  -1.042,   0.748)  ( -1.154,  -1.041,   0.749)  ( 0.15,  0.13,  0.05)
179:     angle   ( -0.862,   0.717,  -0.330)  ( -0.861,   0.717,  -0.330)  ( 0.04,  0.02,  0.00)
179:     strbnd  (  0.292,  -0.327,   0.162)  (  0.292,  -0.327,   0.162)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.007)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.682,   0.169,  -0.176)  (  0.682,   0.169,  -0.176)  ( 0.00,  0.00,  0.00)
179:     electro (  0.271,   0.131,  -0.109)  (  0.271,   0.131,  -0.109)  ( 0.00,  0.00,  0.00)
179: 22       ( -0.002,  -0.011,   0.010)  ( -0.001,  -0.009,   0.011)  ( 0.00,  0.00,  0.00)
179:     bond    ( -0.526,   0.784,  -0.542)  ( -0.525,   0.786,  -0.541)  ( 0.04,  0.14,  0.05)
179:     angle   (  1.195,  -1.233,  -2.949)  (  1.195,  -1.233,  -2.949)  ( 0.03,  0.02,  0.01)
179:     strbnd  ( -0.255,  -0.588,  -0.393)  ( -0.255,  -0.588,  -0.393)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.565,  -0.064,   0.455)  ( -0.565,  -0.064,   0.455)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.149,   1.091,   3.440)  (  0.149,   1.091,   3.440)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( -0.002,  -0.011,   0.000)  ( -0.001,  -0.010,   0.001)  ( 0.00,  0.00,  0.00)
179:     bond    ( -0.710,  -0.703,   0.394)  ( -0.709,  -0.701,   0.395)  ( 0.11,  0.10,  0.02)
179:     angle   (  0.978,  -1.990,  -1.779)  (  0.979,  -1.990,  -1.778)  ( 0.03,  0.01,  0.03)
179:     strbnd  ( -0.228,  -0.099,  -0.703)  ( -0.228,  -0.099,  -0.703)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.442,   0.487,   0.072)  ( -0.442,   0.487,   0.072)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.399,   2.293,   2.016)  (  0.399,   2.293,   2.016)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       (  0.016,   0.004,  -0.000)  (  0.017,   0.005,   0.001)  ( 0.00,  0.00,  0.00)
179:     bond    (  0.712,  -0.619,  -0.845)  (  0.713,  -0.618,  -0.844)  ( 0.08,  0.05,  0.13)
179:     angle   ( -4.410,  -0.925,  -3.048)  ( -4.410,  -0.925,  -3.048)  ( 0.01,  0.03,  0.01)
179:     strbnd  ( -0.899,   0.082,  -0.052)  ( -0.899,   0.082,  -0.052)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.011,  -0.086,   0.054)  ( -0.011,  -0.086,   0.054)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.624,   1.552,   3.891)  (  4.624,   1.552,   3.891)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       (  0.015,   0.029,  -0.030)  (  0.017,   0.030,  -0.029)  ( 0.00,  0.00,  0.00)
179:     bond    ( -0.752,  -0.529,   0.528)  ( -0.750,  -0.529,   0.529)  ( 0.13,  0.05,  0.04)
179:     angle   (  1.555,   0.717,   2.924)  (  1.555,   0.718,   2.924)  ( 0.02,  0.03,  0.01)
179:     strbnd  ( -0.027,   0.641,   0.396)  ( -0.027,   0.641,   0.396)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.505,   0.263,  -0.453)  ( -0.505,   0.263,  -0.453)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.257,  -1.063,  -3.425)  ( -0.257,  -1.063,  -3.425)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       ( -0.016,  -0.001,  -0.020)  ( -0.014,  -0.000,  -0.018)  ( 0.00,  0.00,  0.00)
179:     bond    (  0.867,   0.313,   0.819)  (  0.869,   0.313,   0.821)  ( 0.15,  0.01,  0.12)
179:     angle   ( -3.775,   2.481,   3.047)  ( -3.775,   2.482,   3.047)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -0.869,   0.249,   0.057)  ( -0.869,   0.249,   0.057)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.019,   0.079,  -0.051)  (  0.019,   0.079,  -0.051)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.742,  -3.123,  -3.893)  (  3.742,  -3.123,  -3.893)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       (  0.012,  -0.017,   0.007)  (  0.013,  -0.015,   0.008)  ( 0.00,  0.00,  0.00)
179:     bond    ( -0.401,   0.886,  -0.386)  ( -0.401,   0.889,  -0.385)  ( 0.02,  0.22,  0.02)
179:     angle   (  1.642,   1.513,   1.782)  (  1.642,   1.513,   1.783)  ( 0.02,  0.01,  0.03)
179:     strbnd  ( -0.174,   0.171,   0.708)  ( -0.174,   0.170,   0.708)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.590,  -0.296,  -0.070)  ( -0.590,  -0.296,  -0.070)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.465,  -2.291,  -2.028)  ( -0.465,  -2.291,  -2.028)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 34 # gradients 
179: ok 35 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       ( 31.424,  -0.200,  18.228)  ( 31.429,  -0.198,  18.233)  ( 0.02,  0.05,  0.03)
179:     bond    ( 17.093,   4.746,  20.403)  ( 17.097,   4.747,  20.407)  ( 0.02,  0.02,  0.02)
179:     angle   ( 10.823,  -6.670,  -7.661)  ( 10.824,  -6.668,  -7.659)  ( 0.02,  0.03,  0.02)
179:     strbnd  ( -1.302,  -1.496,  -3.384)  ( -1.303,  -1.496,  -3.384)  ( 0.04,  0.04,  0.02)
179:     torsion ( -0.752,  -0.481,  -0.404)  ( -0.752,  -0.481,  -0.404)  ( 0.01,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.697,   3.940,   6.118)  (  2.697,   3.940,   6.118)  ( 0.00,  0.00,  0.00)
179:     electro (  2.864,  -0.239,   3.155)  (  2.864,  -0.239,   3.155)  ( 0.00,  0.00,  0.00)
179:  2       (-36.010,   4.515,  17.051)  (-36.005,   4.520,  17.057)  ( 0.01,  0.12,  0.03)
179:     bond    (-27.113,  -0.560,   3.022)  (-27.109,  -0.556,   3.026)  ( 0.02,  0.22,  0.12)
179:     angle   (-10.986,   1.327,   1.389)  (-10.984,   1.329,   1.391)  ( 0.02,  0.14,  0.17)
179:     strbnd  (  6.026,   1.292,   2.785)  (  6.025,   1.291,   2.784)  ( 0.02,  0.04,  0.03)
179:     torsion (  0.387,   2.102,   1.063)  (  0.387,   2.103,   1.063)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.974,  -1.076,   6.259)  ( -5.974,  -1.076,   6.260)  ( 0.00,  0.00,  0.00)
179:     electro (  1.650,   1.429,   2.533)  (  1.650,   1.429,   2.533)  ( 0.00,  0.00,  0.00)
179:  3       (-11.045, -13.207,  11.272)  (-11.039, -13.201,  11.277)  ( 0.05,  0.04,  0.05)
179:     bond    ( -2.739,  -3.315,  12.969)  ( -2.735,  -3.311,  12.974)  ( 0.14,  0.12,  0.03)
179:     angle   (  0.437, -11.359,  -0.705)  (  0.439, -11.357,  -0.703)  ( 0.09,  0.02,  0.14)
179:     strbnd  (  1.387,   2.155,  -8.533)  (  1.387,   2.154,  -8.535)  ( 0.02,  0.03,  0.02)
179:     torsion ( -2.416,   1.078,   0.854)  ( -2.416,   1.078,   0.855)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -6.807,  -1.527,   6.510)  ( -6.807,  -1.527,   6.510)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.907,  -0.238,   0.176)  ( -0.907,  -0.238,   0.176)  ( 0.00,  0.00,  0.00)
179:  4       ( -4.273,   7.522,  -3.211)  ( -4.268,   7.525,  -3.205)  ( 0.13,  0.04,  0.18)
179:     bond    (  0.949,  -2.282,   0.268)  (  0.953,  -2.280,   0.273)  ( 0.43,  0.06,  0.13)
179:     angle   (  0.591,  21.684,   6.844)  (  0.593,  21.686,   6.845)  ( 0.09,  0.01,  0.02)
179:     strbnd  (  1.406,  -5.851,  -0.013)  (  1.406,  -5.852,  -0.014)  ( 0.04,  0.01,  0.00)
179:     torsion (  0.184,  -1.989,  -0.339)  (  0.185,  -1.989,  -0.339)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.463,  -3.294,  -7.182)  ( -5.463,  -3.294,  -7.182)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.941,  -0.746,  -2.788)  ( -1.941,  -0.746,  -2.788)  ( 0.00,  0.00,  0.00)
179:  5       ( 15.539,  -6.936, -11.710)  ( 15.544,  -6.931, -11.704)  ( 0.03,  0.08,  0.05)
179:     bond    ( 13.334,   0.629,  -1.309)  ( 13.339,   0.633,  -1.305)  ( 0.04,  0.25,  0.29)
179:     angle   (  2.816, -10.985,  -2.204)  (  2.818, -10.983,  -2.202)  ( 0.07,  0.02,  0.10)
179:     strbnd  ( -8.882,  -0.451,   0.327)  ( -8.883,  -0.452,   0.326)  ( 0.02,  0.02,  0.01)
179:     torsion (  0.798,   1.843,  -1.911)  (  0.798,   1.843,  -1.911)  ( 0.00,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.392,   1.990,  -5.711)  (  7.392,   1.990,  -5.711)  ( 0.00,  0.00,  0.00)
179:     electro (  0.082,   0.038,  -0.901)  (  0.082,   0.038,  -0.901)  ( 0.00,  0.00,  0.00)
179:  6       ( 19.460,  15.761, -31.866)  ( 19.465,  15.766, -31.861)  ( 0.03,  0.03,  0.02)
179:     bond    (  5.775,   7.666, -25.091)  (  5.778,   7.670, -25.086)  ( 0.07,  0.05,  0.02)
179:     angle   (  1.263,   4.370, -10.670)  (  1.265,   4.372, -10.668)  ( 0.18,  0.05,  0.02)
179:     strbnd  (  1.829,   0.313,   6.376)  (  1.828,   0.312,   6.375)  ( 0.03,  0.02,  0.02)
179:     torsion (  2.320,   0.305,   0.903)  (  2.321,   0.305,   0.903)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.013,   1.540,  -5.601)  (  7.013,   1.540,  -5.601)  ( 0.00,  0.00,  0.00)
179:     electro (  1.260,   1.567,   2.216)  (  1.260,   1.567,   2.216)  ( 0.00,  0.00,  0.00)
179:  7       ( -5.272,  -8.082,  -8.394)  ( -5.266,  -8.076,  -8.389)  ( 0.11,  0.07,  0.07)
179:     bond    ( -5.766,  -6.148,  -8.390)  ( -5.762,  -6.144,  -8.385)  ( 0.07,  0.07,  0.05)
179:     angle   ( -0.655,  -5.211,  -2.282)  ( -0.653,  -5.209,  -2.280)  ( 0.12,  0.03,  0.08)
179:     strbnd  (  5.025,   4.822,   7.145)  (  5.024,   4.821,   7.144)  ( 0.01,  0.02,  0.01)
179:     torsion (  0.524,  -0.894,   0.352)  (  0.524,  -0.894,   0.352)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.384,  -0.621,  -5.255)  ( -4.383,  -0.621,  -5.255)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.016,  -0.029,   0.035)  ( -0.016,  -0.029,   0.035)  ( 0.00,  0.00,  0.00)
179:  8       (  1.728,  10.474,  24.887)  (  1.734,  10.474,  24.938)  ( 0.32,  0.00,  0.20)
179:     bond    ( 11.385, -12.341, -10.198)  ( 11.388, -12.332, -10.191)  ( 0.03,  0.07,  0.07)
179:     angle   (-32.172,  28.633,  36.543)  (-32.169,  28.635,  36.546)  ( 0.01,  0.01,  0.01)
179:     strbnd  ( 23.556,  -6.610,  -5.451)  ( 23.555,  -6.611,  -5.452)  ( 0.00,  0.02,  0.02)
179:     torsion (  0.338,  -1.851,   0.344)  (  0.338,  -1.851,   0.344)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.005,   0.056,  -0.231)  ( -0.004,   0.046,  -0.190)  ( 0.00,  0.06,  0.96)
179:     vdw     (  1.478,   1.254,   4.534)  (  1.478,   1.254,   4.535)  ( 0.01,  0.00,  0.00)
179:     electro ( -2.852,   1.333,  -0.654)  ( -2.852,   1.333,  -0.654)  ( 0.00,  0.00,  0.00)
179:  9       (  8.282, -17.496,  -4.338)  (  8.284, -17.494,  -4.331)  ( 0.02,  0.01,  0.14)
179:     bond    (  1.485,   1.600,  -4.386)  (  1.486,   1.600,  -4.380)  ( 0.05,  0.05,  0.14)
179:     angle   (  5.763, -17.078,  -4.285)  (  5.764, -17.078,  -4.285)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.447,  -2.536,   3.420)  ( -0.447,  -2.536,   3.420)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.480,   0.079,   0.191)  (  0.480,   0.079,   0.191)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.856,   0.959,   2.952)  (  1.856,   0.959,   2.952)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.854,  -0.519,  -2.230)  ( -0.854,  -0.519,  -2.230)  ( 0.00,  0.00,  0.00)
179: 10       ( 12.548,   0.140, -14.985)  ( 12.549,   0.147, -14.984)  ( 0.01,  0.10,  0.01)
179:     bond    (  0.309,  -3.128,   0.485)  (  0.309,  -3.121,   0.485)  ( 0.00,  0.24,  0.01)
179:     angle   ( 15.756,  -0.811, -15.260)  ( 15.757,  -0.811, -15.259)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  0.664,   2.939,  -1.490)  (  0.664,   2.939,  -1.490)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.106,  -0.157,  -0.307)  ( -1.106,  -0.157,  -0.307)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.387,   3.365,   2.847)  ( -2.387,   3.365,   2.847)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.689,  -2.068,  -1.261)  ( -0.689,  -2.068,  -1.261)  ( 0.00,  0.00,  0.00)
179: 11       (-10.575,  -8.846,  -5.661)  (-10.571,  -8.813,  -5.772)  ( 0.03,  0.38,  1.96)
179:     bond    ( -6.709,   1.922,   1.059)  ( -6.705,   1.927,   1.060)  ( 0.06,  0.26,  0.04)
179:     angle   ( 24.355, -15.184, -15.338)  ( 24.357, -15.182, -15.338)  ( 0.01,  0.01,  0.00)
179:     strbnd  (-18.936,   1.986,   0.297)  (-18.936,   1.986,   0.297)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.305,  -0.296,   4.647)  (  0.305,  -0.296,   4.648)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.009,  -0.160,   0.679)  (  0.007,  -0.133,   0.566)  ( 0.00,  0.43,  7.65)
179:     vdw     ( -9.578,   2.904,   3.010)  ( -9.577,   2.904,   3.010)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.021,  -0.018,  -0.016)  ( -0.021,  -0.018,  -0.016)  ( 0.00,  0.00,  0.00)
179: 12       (-24.157,   0.640,  -1.425)  (-24.149,   0.633,  -1.363)  ( 0.03,  0.45,  4.37)
179:     bond    (  1.922,   0.917,   0.032)  (  1.927,   0.922,   0.032)  ( 0.28,  0.47,  0.00)
179:     angle   ( -9.984,   2.922,   1.064)  ( -9.983,   2.923,   1.065)  ( 0.02,  0.05,  0.01)
179:     strbnd  (-10.267,   7.335,   1.838)  (-10.267,   7.335,   1.838)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.034,   0.453,  -2.054)  ( -0.034,   0.453,  -2.053)  ( 0.00,  0.00,  0.06)
179:     oop     ( -0.004,   0.086,  -0.378)  ( -0.003,   0.072,  -0.317)  ( 0.00,  0.12,  2.29)
179:     vdw     ( -6.756, -10.594,  -1.657)  ( -6.755, -10.594,  -1.657)  ( 0.00,  0.00,  0.00)
179:     electro (  0.966,  -0.478,  -0.270)  (  0.966,  -0.478,  -0.270)  ( 0.00,  0.00,  0.00)
179: 13       (  9.671, -18.090,  -9.125)  (  9.679, -18.096,  -9.073)  ( 0.08,  0.03,  0.57)
179:     bond    (  3.557,   7.206,   1.481)  (  3.562,   7.211,   1.482)  ( 0.15,  0.07,  0.03)
179:     angle   (  3.498, -21.802,  -5.738)  (  3.500, -21.801,  -5.738)  ( 0.04,  0.01,  0.00)
179:     strbnd  ( 11.124,   5.598,   1.224)  ( 11.124,   5.598,   1.224)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.010,   0.214,  -0.783)  ( -0.010,   0.214,  -0.782)  ( 0.00,  0.00,  0.10)
179:     oop     ( -0.007,   0.075,  -0.292)  ( -0.006,   0.062,  -0.242)  ( 0.00,  0.09,  1.46)
179:     vdw     ( -8.946,  -9.231,  -4.972)  ( -8.946,  -9.231,  -4.972)  ( 0.00,  0.00,  0.00)
179:     electro (  0.455,  -0.149,  -0.044)  (  0.455,  -0.149,  -0.044)  ( 0.00,  0.00,  0.00)
179: 14       (-13.663,  -2.396,   4.950)  (-13.657,  -2.371,   4.880)  ( 0.04,  1.04,  1.41)
179:     bond    (-26.978,  13.126,   4.300)  (-26.972,  13.131,   4.300)  ( 0.02,  0.03,  0.01)
179:     angle   (-18.118,  -9.493,   4.254)  (-18.116,  -9.491,   4.254)  ( 0.01,  0.02,  0.00)
179:     strbnd  ( 29.827,  -3.579,  -1.396)  ( 29.826,  -3.579,  -1.395)  ( 0.00,  0.00,  0.01)
179:     torsion ( -0.134,  -1.037,   2.744)  ( -0.134,  -1.037,   2.746)  ( 0.00,  0.01,  0.04)
179:     oop     (  0.011,  -0.106,   0.410)  (  0.009,  -0.087,   0.339)  ( 0.00,  0.20,  2.94)
179:     vdw     (  1.699,  -1.418,  -5.301)  (  1.699,  -1.418,  -5.301)  ( 0.01,  0.01,  0.00)
179:     electro (  0.030,   0.111,  -0.061)  (  0.030,   0.111,  -0.061)  ( 0.00,  0.00,  0.00)
179: 15       ( 13.797, -14.175,  -4.609)  ( 13.759, -14.176,  -4.431)  ( 0.28,  0.01,  3.87)
179:     bond    ( -5.136, -10.558,  -3.032)  ( -5.131, -10.553,  -3.032)  ( 0.09,  0.04,  0.02)
179:     angle   (  2.758, -11.175,   3.017)  (  2.760, -11.174,   3.017)  ( 0.07,  0.02,  0.00)
179:     strbnd  (  9.858,  -2.806,  -1.156)  (  9.859,  -2.806,  -1.156)  ( 0.00,  0.00,  0.01)
179:     torsion ( -0.006,   0.855,  -3.398)  ( -0.006,   0.855,  -3.397)  ( 0.00,  0.01,  0.04)
179:     oop     (  0.274,   0.043,  -1.066)  (  0.229,   0.036,  -0.889)  ( 1.23,  0.03, 16.55)
179:     vdw     (  6.480,   9.337,   1.077)  (  6.480,   9.337,   1.077)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.432,   0.129,  -0.052)  ( -0.432,   0.129,  -0.052)  ( 0.00,  0.00,  0.00)
179: 16       (-18.628,  20.328,   6.654)  (-18.621,  20.351,   6.601)  ( 0.04,  0.11,  0.80)
179:     bond    (  8.237,  -4.438,  -0.410)  (  8.242,  -4.433,  -0.410)  ( 0.06,  0.11,  0.02)
179:     angle   (-15.113,  19.214,   5.231)  (-15.111,  19.215,   5.231)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -4.665,  -2.331,  -0.554)  ( -4.666,  -2.331,  -0.554)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.007,   0.399,  -1.363)  (  0.007,   0.399,  -1.362)  ( 0.00,  0.00,  0.09)
179:     oop     ( -0.002,  -0.093,   0.333)  ( -0.001,  -0.078,   0.278)  ( 0.00,  0.14,  1.84)
179:     vdw     ( -7.680,   8.051,   3.527)  ( -7.680,   8.051,   3.527)  ( 0.00,  0.00,  0.00)
179:     electro (  0.588,  -0.473,  -0.110)  (  0.588,  -0.473,  -0.110)  ( 0.00,  0.00,  0.00)
179: 17       ( -6.589,  20.521,   5.019)  ( -6.584,  20.520,   5.042)  ( 0.08,  0.00,  0.45)
179:     bond    (  2.115,   1.161,  -0.091)  (  2.119,   1.164,  -0.091)  ( 0.20,  0.31,  0.00)
179:     angle   ( 25.721,  28.686,   2.043)  ( 25.721,  28.687,   2.043)  ( 0.00,  0.00,  0.01)
179:     strbnd  (-34.795,  -0.918,   2.926)  (-34.795,  -0.918,   2.926)  ( 0.00,  0.00,  0.01)
179:     torsion (  0.088,  -0.609,   5.097)  (  0.088,  -0.609,   5.098)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.003,   0.029,  -0.113)  ( -0.002,   0.024,  -0.092)  ( 0.00,  0.02,  0.25)
181: # Testing UFF Force Field...
181: ok 1 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (116.287,  -8.442, -22.838)  (115.961,  -8.715, -21.215)  ( 0.28,  3.23,  7.11)
181:     bond    ( 22.087,  34.962,  11.952)  ( 22.113,  34.988,  11.955)  ( 0.12,  0.08,  0.02)
181:     angle   (165.435, -77.004,  22.812)  (165.451, -76.990,  22.815)  ( 0.01,  0.02,  0.01)
181:     torsion (  9.259,   8.251, -38.340)  (  9.260,   8.252, -38.324)  ( 0.01,  0.01,  0.04)
181:     oop     (  2.175,   1.906,  -9.509)  (  1.805,   1.591,  -7.909)  (17.02, 16.54, 16.83)
181:     vdw     (-82.669,  23.444,  -9.752)  (-82.667,  23.444,  -9.753)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-155.800, 150.666, 267.741)  (-154.650, 151.649, 263.333)  ( 0.74,  0.65,  1.65)
181:     bond    (  9.289,  69.441,  23.457)  (  9.318,  69.474,  23.461)  ( 0.31,  0.05,  0.02)
181:     angle   (-107.245, 105.199, 110.114)  (-107.231, 105.217, 110.118)  ( 0.01,  0.02,  0.00)
181:     torsion (-32.308, -13.312,  54.815)  (-32.307, -13.311,  54.830)  ( 0.00,  0.00,  0.03)
181:     oop     ( -6.535,  -5.596,  26.451)  ( -5.431,  -4.669,  22.019)  (16.90, 16.58, 16.75)
181:     vdw     (-19.000,  -5.065,  52.904)  (-19.000,  -5.063,  52.905)  ( 0.00,  0.04,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (-57.832,  13.874, -100.971)  (-58.268,  13.545, -99.127)  ( 0.76,  2.38,  1.83)
181:     bond    (-38.862, -10.395, -15.474)  (-38.837, -10.368, -15.471)  ( 0.07,  0.26,  0.02)
181:     angle   (-109.964, -43.953, -25.984)  (-109.949, -43.939, -25.981)  ( 0.01,  0.03,  0.01)
181:     torsion ( 21.720,  18.174, -85.176)  ( 21.721,  18.175, -85.164)  ( 0.00,  0.00,  0.01)
181:     oop     (  2.730,   2.131, -10.332)  (  2.250,   1.759,  -8.506)  (17.57, 17.48, 17.67)
181:     vdw     ( 66.545,  47.917,  35.994)  ( 66.546,  47.918,  35.994)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (184.459, -239.482, -29.973)  (184.508, -239.437, -29.957)  ( 0.03,  0.02,  0.06)
181:     bond    (-32.139,   7.417,  -7.582)  (-32.111,   7.449,  -7.577)  ( 0.09,  0.43,  0.06)
181:     angle   (144.581, -202.810, -20.798)  (144.599, -202.798, -20.794)  ( 0.01,  0.01,  0.02)
181:     torsion ( -1.634,  -4.597,  -9.079)  ( -1.633,  -4.596,  -9.069)  ( 0.06,  0.02,  0.11)
181:     oop     ( -0.003,  -0.005,   0.035)  ( -0.004,  -0.005,   0.033)  ( 0.00,  0.00,  0.01)
181:     vdw     ( 73.655, -39.487,   7.449)  ( 73.657, -39.486,   7.449)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-72.114, 270.082, 106.351)  (-72.064, 270.118, 106.344)  ( 0.07,  0.01,  0.01)
181:     bond    ( 18.507,  66.722,  22.387)  ( 18.545,  66.737,  22.391)  ( 0.21,  0.02,  0.02)
181:     angle   (-58.001, 253.644,  45.410)  (-57.997, 253.659,  45.411)  ( 0.01,  0.01,  0.00)
181:     torsion (-14.088, -14.246,  55.093)  (-14.087, -14.246,  55.103)  ( 0.00,  0.01,  0.02)
181:     oop     ( -0.043,  -0.038,   0.154)  ( -0.037,  -0.032,   0.132)  ( 0.03,  0.02,  0.34)
181:     vdw     (-18.489, -36.000, -16.693)  (-18.488, -35.999, -16.693)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (-144.386, -274.299, -65.742)  (-144.318, -274.236, -65.806)  ( 0.05,  0.02,  0.10)
181:     bond    ( 24.508, -14.699,   2.276)  ( 24.539, -14.671,   2.278)  ( 0.13,  0.19,  0.12)
181:     angle   (-110.762, -191.038, -70.306)  (-110.747, -191.026, -70.305)  ( 0.01,  0.01,  0.00)
181:     torsion ( -6.352,  -6.639,  30.953)  ( -6.351,  -6.638,  30.969)  ( 0.01,  0.01,  0.05)
181:     oop     ( -0.117,  -0.124,   0.529)  ( -0.098,  -0.104,   0.445)  ( 0.22,  0.25,  4.46)
181:     vdw     (-51.662, -61.799, -29.194)  (-51.661, -61.798, -29.193)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (122.317, 204.297,  91.404)  (122.354, 204.333,  91.400)  ( 0.03,  0.02,  0.00)
181:     bond    (-59.287,  40.804, -39.722)  (-59.267,  40.822, -39.705)  ( 0.03,  0.04,  0.04)
181:     angle   (169.152, 160.163, 141.143)  (169.162, 160.174, 141.153)  ( 0.01,  0.01,  0.01)
181:     torsion ( 11.730,  31.489,  -2.761)  ( 11.730,  31.488,  -2.760)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.052,  -0.048,   0.202)  ( -0.044,  -0.041,   0.170)  ( 0.04,  0.04,  0.63)
181:     vdw     (  0.773, -28.111,  -7.459)  (  0.773, -28.110,  -7.459)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (203.160, -45.288, -431.202)  (202.847, -45.562, -429.849)  ( 0.15,  0.61,  0.31)
181:     bond    ( 95.715,  18.633, -250.426)  ( 95.719,  18.665, -250.410)  ( 0.00,  0.17,  0.01)
181:     angle   (101.532, -91.827, -165.456)  (101.541, -91.824, -165.450)  ( 0.01,  0.00,  0.00)
181:     torsion ( 13.941,   3.202,  -5.164)  ( 13.941,   3.202,  -5.161)  ( 0.00,  0.01,  0.05)
181:     oop     (  2.059,   1.964,  -8.438)  (  1.732,   1.654,  -7.110)  (15.90, 15.77, 15.74)
181:     vdw     (-10.088,  22.740,  -1.718)  (-10.086,  22.741,  -1.718)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-119.586,  -4.170, 306.701)  (-119.558,  -4.136, 306.738)  ( 0.02,  0.82,  0.01)
181:     bond    (-74.362, -193.521, 251.137)  (-74.343, -193.499, 251.163)  ( 0.03,  0.01,  0.01)
181:     angle   (-42.941, 160.865,  63.012)  (-42.932, 160.877,  63.023)  ( 0.02,  0.01,  0.02)
181:     torsion (  3.312,   2.617,   2.887)  (  3.313,   2.617,   2.887)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.595,  25.869, -10.335)  ( -5.595,  25.869, -10.335)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (  1.128, -17.670,   8.275)  (  1.188, -17.614,   8.174)  ( 5.31,  0.31,  1.23)
181:     bond    (-74.691, -54.906, -31.978)  (-74.672, -54.888, -31.960)  ( 0.03,  0.03,  0.06)
181:     angle   ( 57.560,  23.646,  21.495)  ( 57.570,  23.656,  21.502)  ( 0.02,  0.04,  0.03)
181:     torsion ( -0.752,  -2.541,   6.822)  ( -0.753,  -2.542,   6.822)  ( 0.05,  0.04,  0.01)
181:     oop     ( -0.164,  -0.141,   0.673)  ( -0.133,  -0.114,   0.545)  ( 0.51,  0.38,  8.62)
181:     vdw     ( 19.175,  16.273,  11.263)  ( 19.176,  16.274,  11.263)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (  7.300, -10.594,  -0.715)  (  7.342, -10.551,  -0.744)  ( 0.59,  0.40,  2.08)
181:     bond    ( 70.242, -27.806,  10.923)  ( 70.262, -27.788,  10.941)  ( 0.03,  0.06,  0.17)
181:     angle   (-42.172,  23.429,  -1.074)  (-42.163,  23.439,  -1.067)  ( 0.02,  0.04,  0.67)
181:     torsion (  0.776,   0.111,  -5.336)  (  0.776,   0.112,  -5.332)  ( 0.02,  0.01,  0.06)
181:     oop     ( -0.068,  -0.069,   0.306)  ( -0.055,  -0.056,   0.248)  ( 0.09,  0.09,  1.78)
181:     vdw     (-21.478,  -6.259,  -5.534)  (-21.477,  -6.258,  -5.534)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-347.962, -83.970, -34.862)  (-347.919, -83.904, -34.737)  ( 0.01,  0.08,  0.36)
181:     bond    (-95.159,  57.313, -18.541)  (-95.123,  57.343, -18.539)  ( 0.04,  0.05,  0.01)
181:     angle   (-217.544, -227.821,   8.524)  (-217.526, -227.800,   8.524)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.732,  -1.049,  -7.161)  (  0.733,  -1.048,  -7.131)  ( 0.03,  0.07,  0.43)
181:     oop     (  0.065,  -0.091,  -0.610)  (  0.054,  -0.078,  -0.517)  ( 0.07,  0.12,  5.67)
181:     vdw     (-36.057,  87.678, -17.073)  (-36.056,  87.680, -17.073)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (-47.159,   1.404,  -6.248)  (-47.121,   1.446,  -6.216)  ( 0.08,  2.99,  0.52)
181:     bond    (  4.431, -78.812,  12.662)  (  4.458, -78.785,  12.664)  ( 0.61,  0.03,  0.01)
181:     angle   (-82.462,  46.267, -15.546)  (-82.451,  46.280, -15.546)  ( 0.01,  0.03,  0.00)
181:     torsion (  0.144,  -0.241,  -1.412)  (  0.144,  -0.240,  -1.388)  ( 0.00,  0.01,  1.66)
181:     oop     ( -0.002,   0.003,   0.018)  ( -0.003,   0.004,   0.025)  ( 0.00,  0.00,  0.01)
181:     vdw     ( 30.730,  34.187,  -1.971)  ( 30.731,  34.188,  -1.971)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       ( 96.852,   4.630,   8.342)  ( 96.892,   4.670,   8.379)  ( 0.04,  0.87,  0.43)
181:     bond    (-81.099, -19.893,  -5.762)  (-81.075, -19.864,  -5.760)  ( 0.03,  0.15,  0.03)
181:     angle   ( 84.801,  33.466,   4.032)  ( 84.815,  33.475,   4.033)  ( 0.02,  0.03,  0.01)
181:     torsion (  0.104,  -0.149,  -0.999)  (  0.104,  -0.149,  -0.979)  ( 0.00,  0.01,  2.05)
181:     oop     (  0.008,  -0.012,  -0.078)  (  0.007,  -0.010,  -0.064)  ( 0.00,  0.00,  0.10)
181:     vdw     ( 93.038,  -8.781,  11.149)  ( 93.040,  -8.782,  11.149)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       ( 24.690, -95.271,  15.467)  ( 24.730, -95.231,  15.482)  ( 0.16,  0.04,  0.10)
181:     bond    ( -7.132,  82.507, -13.213)  ( -7.103,  82.532, -13.212)  ( 0.40,  0.03,  0.01)
181:     angle   ( -4.266, -90.118,  13.138)  ( -4.256, -90.105,  13.138)  ( 0.23,  0.01,  0.00)
181:     torsion (  0.185,  -0.262,  -1.771)  (  0.185,  -0.261,  -1.751)  ( 0.00,  0.01,  1.16)
181:     oop     ( -0.005,   0.007,   0.047)  ( -0.004,   0.006,   0.039)  ( 0.00,  0.00,  0.04)
181:     vdw     ( 35.908, -87.405,  17.267)  ( 35.909, -87.403,  17.267)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       (-14.226,  47.407,  -7.376)  (-14.186,  47.450,  -7.339)  ( 0.27,  0.09,  0.50)
181:     bond    ( 79.107,  23.236,   4.878)  ( 79.134,  23.262,   4.880)  ( 0.03,  0.11,  0.03)
181:     angle   (-66.419,  62.051, -14.039)  (-66.406,  62.063, -14.039)  ( 0.02,  0.02,  0.00)
181:     torsion (  0.056,  -0.204,  -1.211)  (  0.056,  -0.203,  -1.189)  ( 0.00,  0.01,  1.85)
181:     oop     ( -0.002,   0.001,   0.008)  ( -0.003,   0.003,   0.021)  ( 0.00,  0.00,  0.01)
181:     vdw     (-26.968, -37.677,   2.988)  (-26.968, -37.676,   2.988)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       (-39.515, 382.680, -63.790)  (-39.454, 382.721, -63.819)  ( 0.16,  0.01,  0.04)
181:     bond    (-133.796,  87.788, -25.421)  (-133.762,  87.821, -25.419)  ( 0.03,  0.04,  0.01)
181:     angle   (188.007, 285.937, -24.977)  (188.027, 285.953, -24.977)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.382,  -0.385,  -2.583)  (  0.383,  -0.384,  -2.558)  ( 0.01,  0.02,  0.99)
181:     oop     ( -0.021,   0.035,   0.233)  ( -0.016,   0.027,   0.176)  ( 0.01,  0.03,  1.31)
181:     vdw     (-94.088,   9.305, -11.042)  (-94.085,   9.305, -11.042)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (212.966, -78.853,  86.599)  (213.063, -78.852,  86.189)  ( 0.05,  0.00,  0.47)
181:     bond    ( 32.722, -204.290,  33.509)  ( 32.759, -204.250,  33.510)  ( 0.11,  0.02,  0.00)
181:     angle   (159.584, 163.634, -10.633)  (159.597, 163.653, -10.632)  ( 0.01,  0.01,  0.01)
181:     torsion ( -5.949,   8.499,  59.353)  ( -5.949,   8.500,  59.376)  ( 0.00,  0.01,  0.04)
181:     oop     ( -0.214,   0.297,   2.136)  ( -0.168,   0.239,   1.700)  ( 0.99,  1.74, 20.41)
181:     vdw     ( 26.823, -46.995,   2.235)  ( 26.824, -46.994,   2.235)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       (1019.396, 300.440,  81.714)  (1019.454, 300.455,  81.497)  ( 0.01,  0.00,  0.27)
181:     bond    (111.633,   0.358,   7.479)  (111.661,   0.396,   7.479)  ( 0.03,  1.35,  0.00)
181:     angle   (888.998, 300.890,  82.517)  (889.014, 300.903,  82.518)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.754,   0.132,   4.980)  ( -0.754,   0.133,   4.992)  ( 0.00,  0.00,  0.25)
181:     oop     ( -0.014,   0.046,   0.300)  ( -0.002,   0.010,   0.069)  ( 0.02,  0.17,  6.96)
181:     vdw     ( 19.534,  -0.986, -13.562)  ( 19.534,  -0.986, -13.562)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       (-388.615, -447.620,  27.265)  (-388.593, -447.552,  27.475)  ( 0.01,  0.02,  0.77)
181:     bond    (187.005, -176.800,  44.071)  (187.029, -176.769,  44.073)  ( 0.01,  0.02,  0.00)
181:     angle   (-578.131, -267.848,  -1.152)  (-578.119, -267.841,  -1.153)  ( 0.00,  0.00,  0.03)
181:     torsion (  0.858,  -2.027, -13.278)  (  0.858,  -2.026, -13.269)  ( 0.01,  0.01,  0.06)
181:     oop     (  0.040,  -0.081,  -0.537)  (  0.027,  -0.051,  -0.337)  ( 0.05,  0.25, 10.76)
181:     vdw     (  1.612,  -0.864,  -1.840)  (  1.612,  -0.864,  -1.840)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (-794.623, -314.468, -466.439)  (-794.605, -314.423, -466.288)  ( 0.00,  0.01,  0.03)
181:     bond    (-161.101,   6.643, -48.436)  (-161.085,   6.666, -48.428)  ( 0.01,  0.34,  0.02)
181:     angle   (-581.286, -318.955, -397.058)  (-581.278, -318.953, -397.054)  ( 0.00,  0.00,  0.00)
181:     torsion (  3.410,  -0.722, -12.178)  (  3.410,  -0.722, -12.176)  ( 0.00,  0.01,  0.02)
181:     oop     (  0.022,  -0.047,  -0.324)  (  0.014,  -0.027,  -0.187)  ( 0.02,  0.10,  4.46)
181:     vdw     (-55.668,  -1.388,  -8.443)  (-55.666,  -1.388,  -8.443)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (-105.736, 234.763, 265.708)  (-105.719, 234.782, 265.709)  ( 0.02,  0.01,  0.00)
181:     bond    ( 86.180, 110.253,  19.659)  ( 86.189, 110.267,  19.659)  ( 0.01,  0.01,  0.00)
181:     angle   ( 55.099, -87.896, 251.431)  ( 55.101, -87.895, 251.433)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.509,   0.859,   1.795)  ( -1.509,   0.859,   1.795)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-245.506, 211.547,  -7.177)  (-245.500, 211.551,  -7.178)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       (-22.924,  48.489,   2.238)  (-22.916,  48.496,   2.254)  ( 0.03,  0.01,  0.74)
181:     bond    ( 13.208,  12.111,   5.841)  ( 13.216,  12.117,   5.843)  ( 0.06,  0.05,  0.03)
181:     angle   (-43.891,  47.393,   0.985)  (-43.889,  47.395,   0.985)  ( 0.01,  0.00,  0.01)
181:     torsion (  0.664,   0.643,  -2.841)  (  0.664,   0.644,  -2.838)  ( 0.01,  0.01,  0.12)
181:     oop     (  0.018,   0.019,  -0.080)  (  0.016,   0.016,  -0.069)  ( 0.00,  0.01,  0.09)
181:     vdw     (  7.076, -11.676,  -1.667)  (  7.077, -11.676,  -1.667)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       ( -7.837, -44.589,   4.424)  ( -7.833, -44.576,   4.426)  ( 0.06,  0.03,  0.05)
181:     bond    ( -6.253, -34.723,   4.129)  ( -6.253, -34.710,   4.129)  ( 0.00,  0.04,  0.00)
181:     angle   ( -4.590,   0.221,  -5.090)  ( -4.587,   0.221,  -5.088)  ( 0.07,  0.00,  0.05)
181:     torsion (  0.281,  -1.964, -16.082)  (  0.280,  -1.964, -16.083)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.725,  -8.123,  21.468)  (  2.726,  -8.123,  21.468)  ( 0.04,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       (  6.785, -15.171,  48.550)  (  6.791, -15.167,  48.560)  ( 0.08,  0.03,  0.02)
181:     bond    ( 22.381,  13.458,  37.096)  ( 22.384,  13.459,  37.105)  ( 0.01,  0.01,  0.02)
181:     angle   (-15.995,  32.011,  -1.965)  (-15.993,  32.013,  -1.964)  ( 0.01,  0.01,  0.04)
181:     torsion ( -6.680, -21.602,  11.866)  ( -6.681, -21.603,  11.866)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.079, -39.037,   1.553)  (  7.080, -39.036,   1.553)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       ( 21.953, -18.144, -48.857)  ( 21.956, -18.136, -48.846)  ( 0.01,  0.04,  0.02)
181:     bond    (  8.565, -18.256, -28.608)  (  8.566, -18.252, -28.599)  ( 0.01,  0.02,  0.03)
181:     angle   ( -5.074, -43.418,  26.189)  ( -5.072, -43.416,  26.189)  ( 0.03,  0.01,  0.00)
181:     torsion (  9.100,  -0.002,   2.727)  (  9.100,  -0.002,   2.727)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  9.362,  43.533, -49.165)  (  9.362,  43.534, -49.164)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       (-32.837,  20.876, -23.101)  (-32.827,  20.882, -23.098)  ( 0.03,  0.03,  0.02)
181:     bond    (-33.689,  24.661,  -9.207)  (-33.681,  24.666,  -9.207)  ( 0.03,  0.02,  0.00)
181:     angle   (  4.466,   3.179,  -7.826)  (  4.467,   3.180,  -7.823)  ( 0.03,  0.05,  0.04)
181:     torsion ( -3.400,  -6.881,  -5.998)  ( -3.400,  -6.881,  -5.998)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.214,  -0.083,  -0.070)  ( -0.214,  -0.083,  -0.070)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       ( 29.459,  32.359,   5.387)  ( 29.468,  32.365,   5.391)  ( 0.03,  0.02,  0.08)
181:     bond    ( 32.279,  25.004,  10.637)  ( 32.287,  25.009,  10.638)  ( 0.02,  0.02,  0.01)
181:     angle   (  2.262,  -0.130,  -6.570)  (  2.263,  -0.129,  -6.566)  ( 0.04,  0.02,  0.05)
181:     torsion ( -4.847,   5.257,   2.351)  ( -4.847,   5.257,   2.351)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.236,   2.228,  -1.031)  ( -0.236,   2.228,  -1.031)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( 23.800,  -9.730,  23.722)  ( 23.807,  -9.723,  23.727)  ( 0.03,  0.07,  0.02)
181:     bond    ( 31.491, -22.473,  25.990)  ( 31.497, -22.470,  25.994)  ( 0.02,  0.01,  0.02)
181:     angle   (-10.048, -31.603, -15.144)  (-10.047, -31.601, -15.143)  ( 0.01,  0.01,  0.01)
181:     torsion ( -0.676,   0.286,   1.067)  ( -0.676,   0.286,   1.066)  ( 0.01,  0.00,  0.05)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.033,  44.061,  11.809)  (  3.033,  44.062,  11.809)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       ( 15.633,  15.357, -37.055)  ( 15.637,  15.361, -37.045)  ( 0.03,  0.02,  0.03)
181:     bond    ( 19.159,  16.724, -32.895)  ( 19.161,  16.726, -32.887)  ( 0.01,  0.01,  0.03)
181:     angle   ( -3.819,  -4.250,  -4.386)  ( -3.817,  -4.248,  -4.385)  ( 0.05,  0.04,  0.03)
181:     torsion ( -1.276,   1.541,   0.040)  ( -1.276,   1.540,   0.040)  ( 0.02,  0.03,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.569,   1.342,   0.187)  (  1.569,   1.342,   0.187)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (-19.753,  28.914,  24.017)  (-19.748,  28.922,  24.022)  ( 0.02,  0.03,  0.02)
181:     bond    (-13.995,  29.540,  23.071)  (-13.993,  29.547,  23.075)  ( 0.01,  0.03,  0.02)
181:     angle   (-27.081,  -2.299, -13.480)  (-27.079,  -2.298, -13.479)  ( 0.01,  0.04,  0.01)
181:     torsion (  0.414,  -1.810,   2.570)  (  0.414,  -1.810,   2.569)  ( 0.00,  0.01,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 20.909,   3.483,  11.857)  ( 20.910,   3.483,  11.857)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       (-22.297, -33.757, -28.551)  (-22.289, -33.748, -28.549)  ( 0.03,  0.03,  0.01)
181:     bond    (-25.733, -29.234,  -5.362)  (-25.727, -29.226,  -5.362)  ( 0.02,  0.03,  0.00)
181:     angle   ( 19.085, -16.487,  -1.723)  ( 19.086, -16.485,  -1.721)  ( 0.01,  0.01,  0.11)
181:     torsion (  3.333,   1.004, -21.468)  (  3.333,   1.004, -21.468)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-18.982,  10.960,   0.002)  (-18.982,  10.960,   0.002)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       (-12.011,   7.338,  43.758)  (-12.007,   7.343,  43.768)  ( 0.03,  0.07,  0.02)
181:     bond    (-11.801,  20.330,  32.128)  (-11.800,  20.334,  32.137)  ( 0.01,  0.02,  0.03)
181:     angle   ( 16.633,   4.884,   3.016)  ( 16.635,   4.886,   3.016)  ( 0.01,  0.03,  0.03)
181:     torsion ( -7.580, -17.156,   8.071)  ( -7.580, -17.155,   8.072)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -9.262,  -0.721,   0.543)  ( -9.262,  -0.721,   0.543)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       ( 11.313,  44.694, -21.813)  ( 11.315,  44.701, -21.804)  ( 0.02,  0.01,  0.04)
181:     bond    ( -1.579,  24.927, -33.437)  ( -1.579,  24.932, -33.428)  ( 0.01,  0.02,  0.03)
181:     angle   ( 11.630,   2.486,   1.305)  ( 11.633,   2.487,   1.306)  ( 0.02,  0.05,  0.05)
181:     torsion (  4.701,  17.021,  12.473)  (  4.701,  17.021,  12.473)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.440,   0.260,  -2.154)  ( -3.440,   0.260,  -2.154)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       ( -0.828,  -5.232,  -0.655)  ( -0.821,  -5.219,  -0.641)  ( 0.59,  0.24,  0.91)
181:     bond    ( -3.744,  -5.083,   0.375)  ( -3.739,  -5.074,   0.375)  ( 0.14,  0.19,  0.00)
181:     angle   (  2.261,  -1.631,   0.531)  (  2.264,  -1.629,   0.531)  ( 0.12,  0.08,  0.00)
181:     torsion (  0.141,  -0.201,  -1.325)  (  0.141,  -0.201,  -1.320)  ( 0.00,  0.00,  0.39)
181:     oop     (  0.005,  -0.007,  -0.043)  (  0.004,  -0.005,  -0.034)  ( 0.00,  0.00,  0.04)
181:     vdw     (  0.510,   1.690,  -0.193)  (  0.510,   1.690,  -0.193)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       (-26.249,   5.898,  -5.175)  (-26.234,   5.903,  -5.171)  ( 0.06,  0.07,  0.08)
181:     bond    (-29.191,   3.711,  -3.730)  (-29.177,   3.711,  -3.730)  ( 0.05,  0.01,  0.01)
181:     angle   (  0.259,   1.789,  -0.245)  (  0.259,   1.793,  -0.245)  ( 0.00,  0.22,  0.00)
181:     torsion (  0.150,  -0.213,  -1.393)  (  0.150,  -0.213,  -1.388)  ( 0.00,  0.00,  0.34)
181:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.006)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.534,   0.611,   0.186)  (  2.534,   0.612,   0.186)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       (-14.760,  22.916,  -4.947)  (-14.755,  22.930,  -4.936)  ( 0.04,  0.06,  0.22)
181:     bond    (-12.077,  26.778,  -5.388)  (-12.074,  26.791,  -5.387)  ( 0.02,  0.05,  0.01)
181:     angle   ( -2.847,  -1.306,  -0.117)  ( -2.843,  -1.305,  -0.117)  ( 0.12,  0.05,  0.00)
181:     torsion ( -0.021,   0.028,   0.184)  ( -0.021,   0.028,   0.189)  ( 0.00,  0.00,  0.09)
181:     oop     (  0.004,  -0.005,  -0.036)  (  0.003,  -0.005,  -0.030)  ( 0.00,  0.00,  0.02)
181:     vdw     (  0.181,  -2.579,   0.409)  (  0.181,  -2.579,   0.409)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 38       (  1.676,   4.570,   2.504)  (  1.683,   4.583,   2.523)  ( 0.40,  0.29,  0.76)
181:     bond    (  3.709,   4.859,  -0.358)  (  3.715,   4.869,  -0.358)  ( 0.15,  0.19,  0.00)
181:     angle   ( -0.235,   0.177,   0.010)  ( -0.232,   0.178,   0.010)  ( 0.06,  0.02,  0.00)
181:     torsion ( -0.300,   0.446,   2.942)  ( -0.300,   0.446,   2.947)  ( 0.00,  0.01,  0.18)
181:     oop     (  0.007,  -0.011,  -0.070)  (  0.006,  -0.009,  -0.056)  ( 0.00,  0.00,  0.10)
181:     vdw     ( -1.505,  -0.901,  -0.020)  ( -1.505,  -0.901,  -0.020)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 39       (346.901, -95.929, -20.455)  (346.888, -95.873, -20.204)  ( 0.00,  0.06,  1.23)
181:     bond    ( 22.848,  82.013,  -8.313)  ( 22.850,  82.033,  -8.313)  ( 0.01,  0.02,  0.00)
181:     angle   ( 43.123, -11.220,   7.821)  ( 43.127, -11.220,   7.821)  ( 0.01,  0.00,  0.00)
181:     torsion (  2.724,  -3.366, -25.736)  (  2.724,  -3.366, -25.730)  ( 0.00,  0.00,  0.02)
181:     oop     (  0.108,  -0.137,  -1.058)  (  0.082,  -0.105,  -0.811)  ( 0.28,  0.44, 23.28)
181:     vdw     (278.098, -163.217,   6.830)  (278.106, -163.215,   6.829)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 2 # gradients 
181: ok 3 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (  1.733,  15.535,  -2.708)  (  1.768,  15.569,  -2.688)  ( 2.02,  0.22,  0.73)
181:     bond    ( 36.601,  -0.298,   9.660)  ( 36.629,  -0.276,   9.662)  ( 0.08,  0.65,  0.02)
181:     angle   (-34.951,  16.312,  -8.707)  (-34.945,  16.324,  -8.707)  ( 0.02,  0.07,  0.00)
181:     torsion (  0.899,   0.109,  -3.428)  (  0.900,   0.109,  -3.411)  ( 0.10,  0.00,  0.49)
181:     oop     ( -0.001,  -0.000,   0.001)  ( -0.000,  -0.000,   0.002)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.816,  -0.587,  -0.234)  ( -0.816,  -0.587,  -0.234)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (151.770, -56.591, -673.348)  (153.483, -56.550, -652.718)  ( 1.13,  0.07,  3.06)
181:     bond    (-73.273, -40.784, -20.641)  (-73.245, -40.761, -20.639)  ( 0.04,  0.06,  0.01)
181:     angle   ( 49.771, -31.536,  12.075)  ( 49.779, -31.523,  12.077)  ( 0.02,  0.04,  0.02)
181:     torsion (175.271,  15.729, -664.778)  (176.947,  15.734, -644.154)  ( 0.96,  0.03,  3.10)
181:     oop     (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       ( 11.806,  -5.798,   2.973)  ( 11.813,  -5.787,   2.977)  ( 0.06,  0.19,  0.14)
181:     bond    (  2.228,   3.391,   0.698)  (  2.233,   3.401,   0.698)  ( 0.20,  0.30,  0.03)
181:     angle   ( 13.563,  -9.579,   3.275)  ( 13.565,  -9.578,   3.275)  ( 0.02,  0.01,  0.00)
181:     torsion ( -0.011,  -0.001,   0.038)  ( -0.011,  -0.001,   0.041)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.974,   0.392,  -1.037)  ( -3.974,   0.392,  -1.037)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       ( 14.242,   5.943,   3.893)  ( 14.248,   5.955,   3.897)  ( 0.04,  0.21,  0.10)
181:     bond    (  3.136,  -6.002,   0.637)  (  3.139,  -5.991,   0.637)  ( 0.10,  0.19,  0.01)
181:     angle   ( 22.453,  12.440,   6.327)  ( 22.455,  12.441,   6.327)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.013,   0.002,  -0.055)  (  0.014,   0.002,  -0.052)  ( 0.00,  0.00,  0.02)
181:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-11.361,  -0.496,  -3.015)  (-11.361,  -0.496,  -3.015)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-17.209, -11.517,  -0.591)  (-17.203, -11.504,  -0.586)  ( 0.04,  0.11,  0.32)
181:     bond    (  0.266,  -0.558,   0.053)  (  0.269,  -0.546,   0.054)  ( 0.08,  0.66,  0.00)
181:     angle   (-20.390, -10.603,  -5.721)  (-20.387, -10.602,  -5.720)  ( 0.01,  0.01,  0.00)
181:     torsion ( -1.066,  -0.129,   4.031)  ( -1.065,  -0.129,   4.036)  ( 0.03,  0.00,  0.13)
181:     oop     ( -0.000,  -0.000,   0.001)  ( -0.000,  -0.000,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.981,  -0.227,   1.044)  (  3.981,  -0.227,   1.044)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (-372.179,  47.701, 1341.442)  (-363.825,  47.767, 1443.549)  ( 2.24,  0.14,  7.61)
181:     bond    ( 44.275,  62.791,  13.700)  ( 44.295,  62.831,  13.702)  ( 0.04,  0.06,  0.01)
181:     angle   (-26.067,  19.537,  -6.133)  (-26.059,  19.542,  -6.123)  ( 0.03,  0.02,  0.15)
181:     torsion (-401.951, -35.014, 1330.809)  (-393.626, -34.991, 1432.904)  ( 2.07,  0.07,  7.67)
181:     oop     ( -0.000,  -0.000,   0.001)  ( -0.000,  -0.000,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 11.565,   0.386,   3.065)  ( 11.565,   0.386,   3.065)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (197.185,   4.513, -825.382)  (199.717,   4.550, -794.431)  ( 1.28,  0.80,  3.75)
181:     bond    (-13.334, -18.685,  -4.116)  (-13.320, -18.657,  -4.115)  ( 0.11,  0.15,  0.04)
181:     angle   ( -4.410,   3.395,  -1.131)  ( -4.408,   3.396,  -1.128)  ( 0.04,  0.03,  0.25)
181:     torsion (214.325,  19.270, -820.312)  (216.841,  19.277, -789.365)  ( 1.17,  0.04,  3.77)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.604,   0.534,   0.177)  (  0.604,   0.534,   0.177)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 4 # gradients 
181: ok 5 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       ( 40.034,  81.741, -137.730)  ( 40.064,  81.759, -137.705)  ( 0.07,  0.02,  0.02)
181:     bond    ( 80.618,   6.003, -10.147)  ( 80.638,   6.021, -10.129)  ( 0.02,  0.30,  0.18)
181:     angle   (-26.047,  65.441, -112.824)  (-26.038,  65.449, -112.813)  ( 0.04,  0.01,  0.01)
181:     torsion ( -0.314,   2.650,  -1.502)  ( -0.314,   2.652,  -1.500)  ( 0.00,  0.10,  0.13)
181:     oop     ( -0.000,   0.071,   0.042)  ( -0.000,   0.060,   0.035)  ( 0.00,  0.08,  0.03)
181:     vdw     (-14.222,   7.576, -13.299)  (-14.222,   7.576, -13.299)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-77.104, -139.691, 232.139)  (-77.049, -139.571, 232.243)  ( 0.07,  0.09,  0.04)
181:     bond    ( 24.274, -26.329,  45.326)  ( 24.304, -26.317,  45.362)  ( 0.12,  0.05,  0.08)
181:     angle   (-101.417, -109.290, 188.550)  (-101.392, -109.285, 188.561)  ( 0.02,  0.00,  0.01)
181:     torsion (  0.039,  -3.547,  -1.434)  (  0.039,  -3.539,  -1.431)  ( 0.00,  0.23,  0.20)
181:     oop     ( -0.000,  -0.525,  -0.303)  ( -0.000,  -0.430,  -0.249)  ( 0.00,  5.00,  1.64)
181:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (-31.877,  -2.025,   1.109)  (-31.862,  -2.034,   1.121)  ( 0.05,  0.45,  1.05)
181:     bond    (-14.354, -14.094,  24.209)  (-14.347, -14.088,  24.229)  ( 0.05,  0.05,  0.08)
181:     angle   (-20.650,   5.239,  -9.179)  (-20.642,   5.239,  -9.177)  ( 0.04,  0.01,  0.02)
181:     torsion (  0.001,  -1.001,  -0.581)  (  0.001,  -0.999,  -0.580)  ( 0.00,  0.22,  0.04)
181:     oop     ( -0.000,   0.093,   0.054)  ( -0.000,   0.075,   0.043)  ( 0.00,  0.17,  0.06)
181:     vdw     (  3.126,   7.739, -13.395)  (  3.126,   7.739, -13.395)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       ( 95.636, 128.805, -196.780)  ( 95.687, 128.644, -196.844)  ( 0.05,  0.13,  0.03)
181:     bond    (-89.693,  75.277, -132.994)  (-89.659,  75.286, -132.965)  ( 0.04,  0.01,  0.02)
181:     angle   (173.432,  42.177, -72.645)  (173.448,  42.180, -72.637)  ( 0.01,  0.01,  0.01)
181:     torsion (  0.082,  11.261,   6.468)  (  0.082,  11.270,   6.471)  ( 0.00,  0.08,  0.05)
181:     oop     ( -0.002,   1.098,   0.628)  ( -0.002,   0.916,   0.524)  ( 0.00, 16.58,  6.55)
181:     vdw     ( 11.817,  -1.008,   1.764)  ( 11.817,  -1.008,   1.764)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-61.047, -45.589,  66.224)  (-61.039, -45.512,  66.279)  ( 0.01,  0.17,  0.08)
181:     bond    (-38.907, -40.200,  71.261)  (-38.903, -40.195,  71.275)  ( 0.01,  0.01,  0.02)
181:     angle   (-37.911,   9.172, -15.518)  (-37.907,   9.172, -15.518)  ( 0.01,  0.00,  0.00)
181:     torsion ( -0.075,  -6.078,  -3.468)  ( -0.075,  -6.075,  -3.467)  ( 0.00,  0.04,  0.02)
181:     oop     ( -0.001,  -0.383,  -0.216)  ( -0.000,  -0.313,  -0.177)  ( 0.00,  2.70,  0.86)
181:     vdw     ( 15.846,  -8.100,  14.165)  ( 15.846,  -8.100,  14.166)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       ( 90.579, -16.110,  22.603)  ( 90.602, -16.055,  22.637)  ( 0.03,  0.34,  0.15)
181:     bond    ( 82.156,   3.085,  -4.208)  ( 82.179,   3.085,  -4.208)  ( 0.03,  0.01,  0.01)
181:     angle   (  1.185,  -9.564,  16.125)  (  1.185,  -9.562,  16.129)  ( 0.00,  0.01,  0.02)
181:     torsion (  0.017,  -2.241,  -1.310)  (  0.017,  -2.239,  -1.309)  ( 0.00,  0.08,  0.05)
181:     oop     (  0.003,  -0.360,  -0.206)  (  0.003,  -0.308,  -0.176)  ( 0.00,  1.90,  0.62)
181:     vdw     (  7.218,  -7.031,  12.201)  (  7.218,  -7.031,  12.201)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (-15.415, -45.825,   3.849)  (-15.412, -45.812,   3.852)  ( 0.02,  0.03,  0.06)
181:     bond    (-12.697, -43.343,   0.901)  (-12.696, -43.331,   0.901)  ( 0.01,  0.03,  0.02)
181:     angle   (  3.867,  -1.050,   4.033)  (  3.869,  -1.050,   4.035)  ( 0.07,  0.02,  0.05)
181:     torsion (  0.147,  -0.013,   1.444)  (  0.147,  -0.013,   1.445)  ( 0.00,  0.00,  0.05)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -6.732,  -1.418,  -2.528)  ( -6.732,  -1.418,  -2.528)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (-15.654,  19.646,  41.522)  (-15.650,  19.651,  41.533)  ( 0.02,  0.02,  0.03)
181:     bond    (-12.853,  20.568,  38.148)  (-12.852,  20.570,  38.158)  ( 0.01,  0.01,  0.03)
181:     angle   (  3.943,  -2.997,   2.943)  (  3.946,  -2.995,   2.944)  ( 0.06,  0.05,  0.02)
181:     torsion (  0.102,  -0.850,   0.492)  (  0.102,  -0.850,   0.492)  ( 0.00,  0.04,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -6.846,   2.925,  -0.061)  ( -6.846,   2.925,  -0.061)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-25.346,  18.925, -33.125)  (-25.341,  18.930, -33.115)  ( 0.02,  0.03,  0.03)
181:     bond    (-18.667,  18.966, -32.631)  (-18.664,  18.968, -32.623)  ( 0.01,  0.01,  0.03)
181:     angle   (  3.528,   0.851,  -1.525)  (  3.530,   0.852,  -1.524)  ( 0.06,  0.14,  0.06)
181:     torsion (  0.000,  -0.208,  -0.121)  (  0.000,  -0.208,  -0.121)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.207,  -0.683,   1.153)  (-10.207,  -0.683,   1.153)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 6 # gradients 
181: ok 7 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (-124.901, 251.533, -128.003)  (-124.865, 251.566, -127.974)  ( 0.03,  0.01,  0.02)
181:     bond    (-241.892, 155.872, -136.876)  (-241.868, 155.893, -136.855)  ( 0.01,  0.01,  0.02)
181:     angle   ( 70.553,  74.197,  -4.267)  ( 70.564,  74.208,  -4.258)  ( 0.02,  0.02,  0.22)
181:     torsion ( -4.351,   0.235,   7.936)  ( -4.351,   0.234,   7.936)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 50.789,  21.230,   5.204)  ( 50.790,  21.230,   5.204)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (103.796, -158.227,  60.957)  (103.798, -158.154,  61.078)  ( 0.00,  0.05,  0.20)
181:     bond    (177.662, -154.078, 115.966)  (177.695, -154.065, 115.971)  ( 0.02,  0.01,  0.00)
181:     angle   (-79.371,   2.427, -37.672)  (-79.369,   2.439, -37.667)  ( 0.00,  0.49,  0.01)
181:     torsion (  5.287,  -6.260, -16.624)  (  5.287,  -6.260, -16.625)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.219,  -0.317,  -0.712)  (  0.185,  -0.268,  -0.601)  ( 0.74,  1.57,  7.93)
181:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       ( 21.862, -52.031, -15.008)  ( 21.866, -52.018, -15.006)  ( 0.02,  0.03,  0.02)
181:     bond    ( -1.880, -40.652,  -7.746)  ( -1.881, -40.638,  -7.745)  ( 0.01,  0.03,  0.00)
181:     angle   (-29.923,   3.090,  -8.952)  (-29.920,   3.090,  -8.950)  ( 0.01,  0.00,  0.03)
181:     torsion (  2.863,   0.677,  -4.249)  (  2.863,   0.677,  -4.249)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 50.802, -15.147,   5.939)  ( 50.803, -15.147,   5.938)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       ( 43.159,  11.809,  -5.068)  ( 43.170,  11.813,  -5.064)  ( 0.03,  0.03,  0.08)
181:     bond    ( 36.898,  15.124, -16.150)  ( 36.908,  15.126, -16.149)  ( 0.03,  0.01,  0.01)
181:     angle   (  6.027,  -6.123,   8.042)  (  6.028,  -6.120,   8.044)  ( 0.02,  0.04,  0.03)
181:     torsion (  0.162,   2.832,   3.024)  (  0.162,   2.831,   3.023)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.072,  -0.024,   0.017)  (  0.072,  -0.024,   0.017)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (  0.303,  -0.949,  47.273)  (  0.306,  -0.946,  47.286)  ( 0.08,  0.24,  0.03)
181:     bond    ( -0.494,   7.245,  42.986)  ( -0.494,   7.245,  42.999)  ( 0.01,  0.00,  0.03)
181:     angle   ( -1.773,  -6.965,   1.153)  ( -1.770,  -6.962,   1.153)  ( 0.17,  0.04,  0.01)
181:     torsion ( -1.143,  -1.515,   0.242)  ( -1.143,  -1.515,   0.242)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.713,   0.287,   2.892)  (  3.714,   0.287,   2.892)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       ( 88.097, -104.739,  97.655)  ( 88.280, -104.887,  97.246)  ( 0.21,  0.14,  0.42)
181:     bond    ( 21.237, -20.013,  15.611)  ( 21.279, -19.990,  15.619)  ( 0.20,  0.12,  0.06)
181:     angle   (101.256, -103.551,  78.175)  (101.266, -103.532,  78.178)  ( 0.01,  0.02,  0.00)
181:     torsion ( -2.958,   4.240,  10.109)  ( -2.958,   4.240,  10.110)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.747,   1.091,   2.439)  ( -0.616,   0.902,   2.017)  ( 9.75, 17.37, 17.30)
181:     vdw     (-30.691,  13.494,  -8.679)  (-30.690,  13.494,  -8.679)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       ( 39.508,  46.688,  -7.338)  ( 39.476,  46.782,  -7.144)  ( 0.08,  0.20,  2.64)
181:     bond    (  9.695,  -4.494,   4.946)  (  9.718,  -4.489,   4.951)  ( 0.24,  0.11,  0.12)
181:     angle   ( 30.142,  50.853, -13.053)  ( 30.144,  50.859, -13.052)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.506,   0.733,   1.657)  ( -0.506,   0.733,   1.657)  ( 0.00,  0.00,  0.02)
181:     oop     (  0.263,  -0.386,  -0.867)  (  0.206,  -0.303,  -0.679)  ( 1.49,  3.22, 16.24)
181:     vdw     ( -0.086,  -0.018,  -0.021)  ( -0.086,  -0.018,  -0.021)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (-171.999,   5.773, -50.556)  (-172.031,   5.844, -50.423)  ( 0.02,  1.23,  0.26)
181:     bond    ( -1.356,  40.905, -18.794)  ( -1.356,  40.918, -18.791)  ( 0.02,  0.03,  0.01)
181:     angle   (-96.949, -13.982, -23.449)  (-96.944, -13.981, -23.448)  ( 0.01,  0.00,  0.00)
181:     torsion (  0.647,  -0.940,  -2.094)  (  0.647,  -0.940,  -2.094)  ( 0.00,  0.01,  0.01)
181:     oop     (  0.265,  -0.389,  -0.867)  (  0.225,  -0.331,  -0.737)  ( 1.04,  2.27, 11.28)
181:     vdw     (-74.605, -19.821,  -5.352)  (-74.603, -19.821,  -5.352)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 8 # gradients 
181: ok 9 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       ( 79.151, -113.281, 196.799)  ( 74.305, -106.332, 184.856)  ( 6.12,  6.13,  6.07)
181:     bond    (101.517, -143.650, 249.265)  (101.546, -143.623, 249.282)  ( 0.03,  0.02,  0.01)
181:     angle   (-32.943,  45.373, -78.416)  (-32.934,  45.383, -78.405)  ( 0.03,  0.02,  0.01)
181:     torsion ( -0.022,  -0.007,  -0.017)  ( -0.021,  -0.007,  -0.016)  ( 0.00,  0.00,  0.00)
181:     oop     ( 10.599, -14.997,  25.967)  (  5.714,  -8.085,  13.995)  (46.09, 46.09, 46.10)
181:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-197.774,  -4.633,   7.852)  (-197.736,  -7.194,  12.372)  ( 0.02, 55.28, 57.56)
181:     bond    (-220.390,  -0.005,   0.000)  (-220.363,   0.015,   0.020)  ( 0.01,  0.01,  0.00)
181:     angle   ( -0.050, -17.052,  29.460)  ( -0.039, -17.041,  29.469)  ( 0.05,  0.06,  0.03)
181:     torsion (  0.000,   0.010,  -0.003)  (  0.000,   0.009,  -0.004)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,   5.624,  -9.738)  (  0.000,   3.032,  -5.248)  ( 0.00, 46.09, 46.11)
181:     vdw     ( 22.666,   6.790, -11.866)  ( 22.666,   6.791, -11.866)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       ( 35.790, 182.731,   7.817)  ( 38.267, 181.903,  12.337)  ( 6.92,  0.45, 57.83)
181:     bond    ( 73.413, 207.701,  -0.104)  ( 73.434, 207.728,  -0.084)  ( 0.03,  0.01,  0.21)
181:     angle   ( 16.533,  -6.005,  29.483)  ( 16.544,  -5.994,  29.492)  ( 0.07,  0.18,  0.03)
181:     torsion (  0.009,  -0.004,   0.023)  (  0.010,  -0.003,   0.023)  ( 0.00,  0.00,  0.00)
181:     oop     ( -5.302,   1.878,  -9.738)  ( -2.858,   1.012,  -5.248)  (46.09, 46.09, 46.11)
181:     vdw     (-48.863, -20.839, -11.847)  (-48.862, -20.839, -11.847)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       ( 34.911, -98.106, -154.854)  ( 37.386, -101.529, -151.827)  ( 7.09,  3.49,  1.95)
181:     bond    ( 73.430, -103.943, -180.098)  ( 73.451, -103.921, -180.073)  ( 0.03,  0.02,  0.01)
181:     angle   ( 16.165, -22.410,  19.547)  ( 16.176, -22.400,  19.557)  ( 0.07,  0.05,  0.05)
181:     torsion ( -0.002,   0.009,  -0.006)  ( -0.001,   0.009,  -0.006)  ( 0.00,  0.00,  0.00)
181:     oop     ( -5.297,   7.495,  -6.490)  ( -2.855,   4.040,  -3.498)  (46.10, 46.10, 46.10)
181:     vdw     (-49.386,  20.743,  12.193)  (-49.385,  20.743,  12.193)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       ( 31.635,  91.501,   0.054)  ( 31.641,  91.514,   0.056)  ( 0.02,  0.01,  0.01)
181:     bond    (-28.294,  79.889,  -0.000)  (-28.292,  79.901,   0.000)  ( 0.01,  0.02,  0.00)
181:     angle   ( -0.323,  -0.114,  -0.029)  ( -0.320,  -0.113,  -0.027)  ( 0.10,  0.00,  0.01)
181:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 60.252,  11.726,   0.085)  ( 60.254,  11.726,   0.085)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (-28.211, -39.950,  69.376)  (-28.206, -39.946,  69.386)  ( 0.02,  0.01,  0.01)
181:     bond    (-28.241, -39.967,  69.197)  (-28.239, -39.964,  69.207)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.129,   0.063,   0.091)  (  0.132,   0.065,   0.091)  ( 0.04,  0.01,  0.01)
181:     torsion ( -0.000,   0.004,   0.002)  (  0.000,   0.004,   0.002)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.100,  -0.050,   0.086)  ( -0.100,  -0.050,   0.086)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       ( 32.891, -45.899, -79.600)  ( 32.897, -45.895, -79.590)  ( 0.02,  0.01,  0.01)
181:     bond    (-28.228, -39.956, -69.236)  (-28.226, -39.952, -69.227)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.224,   0.070,  -0.135)  (  0.227,   0.072,  -0.134)  ( 0.07,  0.01,  0.01)
181:     torsion ( -0.000,  -0.006,   0.004)  (  0.000,  -0.006,   0.004)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 60.894,  -6.008, -10.233)  ( 60.896,  -6.008, -10.233)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       ( 81.326,  -9.585,  -5.836)  ( 81.340,  -9.581,  -5.834)  ( 0.02,  0.04,  0.04)
181:     bond    ( 84.815,  -0.000,  -0.000)  ( 84.828,   0.000,   0.000)  ( 0.02,  0.00,  0.00)
181:     angle   ( -0.000,   0.398,  -0.043)  (  0.000,   0.401,  -0.041)  ( 0.00,  0.13,  0.01)
181:     torsion ( -0.000,  -0.000,  -0.002)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.488,  -9.982,  -5.791)  ( -3.488,  -9.982,  -5.791)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-38.408,  31.439,  64.243)  (-38.403,  31.445,  64.253)  ( 0.01,  0.02,  0.02)
181:     bond    (-28.241,  39.961,  69.197)  (-28.239,  39.964,  69.207)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.071,  -0.115,   0.094)  (  0.073,  -0.112,   0.095)  ( 0.01,  0.03,  0.01)
181:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.238,  -8.406,  -5.048)  (-10.238,  -8.406,  -5.048)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (-37.054,  19.007, -66.658)  (-37.049,  19.013, -66.648)  ( 0.01,  0.03,  0.02)
181:     bond    (-28.186,  39.882, -69.132)  (-28.184,  39.885, -69.123)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.061,  -0.204,  -0.143)  (  0.063,  -0.202,  -0.142)  ( 0.01,  0.05,  0.01)
181:     torsion (  0.007,  -0.002,  -0.004)  (  0.007,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.936, -20.668,   2.621)  ( -8.936, -20.668,   2.621)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       ( 81.329,   9.798,   5.419)  ( 81.343,   9.801,   5.423)  ( 0.02,  0.03,  0.06)
181:     bond    ( 84.815,  -0.023,  -0.045)  ( 84.829,  -0.022,  -0.045)  ( 0.02,  0.00,  0.00)
181:     angle   ( -0.000,  -0.204,  -0.290)  ( -0.000,  -0.202,  -0.287)  ( 0.00,  0.04,  0.09)
181:     torsion ( -0.000,   0.008,  -0.005)  ( -0.000,   0.008,  -0.005)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.486,  10.017,   5.759)  ( -3.486,  10.017,   5.759)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-37.251,  48.145, -49.889)  (-37.247,  48.151, -49.878)  ( 0.01,  0.01,  0.02)
181:     bond    (-28.274,  39.959, -69.218)  (-28.273,  39.962, -69.209)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.045,   0.152,   0.069)  (  0.047,   0.154,   0.070)  ( 0.01,  0.03,  0.01)
181:     torsion ( -0.009,  -0.006,   0.000)  ( -0.009,  -0.006,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -9.013,   8.040,  19.260)  ( -9.013,   8.040,  19.261)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (-38.542, -71.364,   5.090)  (-38.538, -71.351,   5.094)  ( 0.01,  0.02,  0.07)
181:     bond    (-28.276, -79.984,   0.044)  (-28.274, -79.972,   0.045)  ( 0.01,  0.02,  0.00)
181:     angle   (  0.029,  -0.011,   0.258)  (  0.031,  -0.011,   0.261)  ( 0.01,  0.00,  0.08)
181:     torsion (  0.014,  -0.005,   0.009)  (  0.014,  -0.005,   0.009)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.309,   8.636,   4.779)  (-10.308,   8.636,   4.779)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 10 # gradients 
181: ok 11 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (-459.477, 649.250, -1124.640)  (-425.030, 600.544, -1040.261)  ( 7.50,  7.50,  7.50)
181:     bond    (-267.083, 377.923, -654.760)  (-267.073, 377.932, -654.759)  ( 0.00,  0.00,  0.00)
181:     angle   (-117.641, 165.638, -286.837)  (-117.636, 165.643, -286.831)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.050,  -0.016,  -0.038)  ( -0.049,  -0.016,  -0.038)  ( 0.00,  0.00,  0.00)
181:     oop     (-74.704, 105.704, -183.005)  (-40.272,  56.984, -98.633)  (46.09, 46.09, 46.10)
181:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (909.379, -95.010, 164.381)  (909.405, -76.714, 132.762)  ( 0.00, 19.26, 19.24)
181:     bond    (886.759,  -0.001,   0.004)  (886.777,   0.015,   0.020)  ( 0.00,  0.00,  0.01)
181:     angle   ( -0.046, -62.174, 107.620)  ( -0.038, -62.166, 107.627)  ( 0.04,  0.01,  0.01)
181:     torsion (  0.000,   0.022,  -0.008)  (  0.000,   0.022,  -0.009)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000, -39.647,  68.632)  (  0.000, -21.376,  36.989)  ( 0.00, 46.09, 46.11)
181:     vdw     ( 22.666,   6.790, -11.866)  ( 22.666,   6.791, -11.866)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (-248.852, -890.906, 164.380)  (-266.049, -884.780, 132.762)  ( 6.91,  0.69, 19.24)
181:     bond    (-296.159, -835.902,  -0.100)  (-296.142, -835.885,  -0.084)  ( 0.01,  0.00,  0.16)
181:     angle   ( 58.775, -20.921, 107.642)  ( 58.783, -20.913, 107.649)  ( 0.01,  0.04,  0.01)
181:     torsion (  0.022,  -0.008,   0.053)  (  0.023,  -0.008,   0.053)  ( 0.00,  0.00,  0.00)
181:     oop     ( 37.373, -13.235,  68.633)  ( 20.150,  -7.136,  36.989)  (46.09, 46.09, 46.11)
181:     vdw     (-48.863, -20.839, -11.847)  (-48.862, -20.839, -11.847)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (-249.014, 303.413, 853.488)  (-266.195, 327.787, 832.430)  ( 6.90,  8.03,  2.47)
181:     bond    (-295.509, 418.119, 723.951)  (-295.493, 418.136, 723.968)  ( 0.01,  0.00,  0.00)
181:     angle   ( 58.556, -82.647,  71.621)  ( 58.564, -82.640,  71.629)  ( 0.01,  0.01,  0.01)
181:     torsion ( -0.004,   0.020,  -0.014)  ( -0.003,   0.021,  -0.013)  ( 0.00,  0.00,  0.00)
181:     oop     ( 37.330, -52.822,  45.737)  ( 20.122, -28.473,  24.654)  (46.10, 46.10, 46.10)
181:     vdw     (-49.386,  20.743,  12.193)  (-49.385,  20.743,  12.193)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       ( 31.733,  91.536,   0.053)  ( 31.739,  91.548,   0.054)  ( 0.02,  0.01,  0.01)
181:     bond    (-28.294,  79.889,  -0.000)  (-28.292,  79.901,   0.000)  ( 0.01,  0.02,  0.00)
181:     angle   ( -0.225,  -0.079,  -0.029)  ( -0.223,  -0.079,  -0.027)  ( 0.05,  0.00,  0.01)
181:     torsion ( -0.000,  -0.000,  -0.003)  (  0.000,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 60.252,  11.726,   0.085)  ( 60.254,  11.726,   0.085)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (-28.241, -39.940,  69.370)  (-28.237, -39.935,  69.380)  ( 0.01,  0.01,  0.01)
181:     bond    (-28.241, -39.967,  69.197)  (-28.239, -39.964,  69.207)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.099,   0.069,   0.081)  (  0.101,   0.070,   0.082)  ( 0.02,  0.01,  0.01)
181:     torsion ( -0.000,   0.009,   0.005)  (  0.000,   0.009,   0.005)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.100,  -0.050,   0.086)  ( -0.100,  -0.050,   0.086)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       ( 32.824, -45.896, -79.574)  ( 32.829, -45.891, -79.564)  ( 0.02,  0.01,  0.01)
181:     bond    (-28.228, -39.956, -69.236)  (-28.226, -39.952, -69.227)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.157,   0.082,  -0.114)  (  0.159,   0.084,  -0.113)  ( 0.03,  0.01,  0.01)
181:     torsion ( -0.000,  -0.015,   0.009)  (  0.000,  -0.015,   0.009)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 60.894,  -6.008, -10.233)  ( 60.896,  -6.008, -10.233)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       ( 81.326,  -9.696,  -5.838)  ( 81.340,  -9.693,  -5.836)  ( 0.02,  0.03,  0.05)
181:     bond    ( 84.815,  -0.000,  -0.000)  ( 84.828,   0.000,   0.000)  ( 0.02,  0.00,  0.00)
181:     angle   ( -0.000,   0.286,  -0.043)  (  0.000,   0.289,  -0.041)  ( 0.00,  0.07,  0.01)
181:     torsion ( -0.000,  -0.000,  -0.004)  (  0.000,   0.000,  -0.003)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.488,  -9.982,  -5.791)  ( -3.488,  -9.982,  -5.791)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-38.399,  31.454,  64.238)  (-38.395,  31.459,  64.249)  ( 0.01,  0.02,  0.02)
181:     bond    (-28.241,  39.961,  69.197)  (-28.239,  39.964,  69.207)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.079,  -0.100,   0.089)  (  0.081,  -0.098,   0.090)  ( 0.01,  0.02,  0.01)
181:     torsion (  0.000,  -0.000,   0.000)  (  0.001,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.238,  -8.406,  -5.048)  (-10.238,  -8.406,  -5.048)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (-37.018,  19.050, -66.648)  (-37.014,  19.056, -66.638)  ( 0.01,  0.03,  0.02)
181:     bond    (-28.186,  39.882, -69.132)  (-28.184,  39.885, -69.123)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.088,  -0.157,  -0.127)  (  0.090,  -0.155,  -0.126)  ( 0.02,  0.03,  0.01)
181:     torsion (  0.016,  -0.006,  -0.010)  (  0.016,  -0.006,  -0.010)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.936, -20.668,   2.621)  ( -8.936, -20.668,   2.621)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       ( 81.329,   9.860,   5.501)  ( 81.343,   9.863,   5.504)  ( 0.02,  0.03,  0.05)
181:     bond    ( 84.815,  -0.023,  -0.045)  ( 84.829,  -0.022,  -0.045)  ( 0.02,  0.00,  0.00)
181:     angle   ( -0.000,  -0.153,  -0.202)  ( -0.000,  -0.151,  -0.199)  ( 0.00,  0.03,  0.05)
181:     torsion ( -0.000,   0.019,  -0.011)  ( -0.000,   0.019,  -0.011)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.486,  10.017,   5.759)  ( -3.486,  10.017,   5.759)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-37.250,  48.120, -49.904)  (-37.246,  48.125, -49.894)  ( 0.01,  0.01,  0.02)
181:     bond    (-28.274,  39.959, -69.218)  (-28.273,  39.962, -69.209)  ( 0.01,  0.01,  0.01)
181:     angle   (  0.058,   0.135,   0.054)  (  0.059,   0.137,   0.055)  ( 0.01,  0.02,  0.00)
181:     torsion ( -0.020,  -0.014,   0.000)  ( -0.020,  -0.014,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -9.013,   8.040,  19.260)  ( -9.013,   8.040,  19.261)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (-38.494, -71.381,   5.049)  (-38.490, -71.368,   5.051)  ( 0.01,  0.02,  0.05)
181:     bond    (-28.276, -79.984,   0.044)  (-28.274, -79.972,   0.045)  ( 0.01,  0.02,  0.00)
181:     angle   (  0.058,  -0.021,   0.205)  (  0.060,  -0.021,   0.207)  ( 0.01,  0.00,  0.05)
181:     torsion (  0.033,  -0.012,   0.020)  (  0.033,  -0.012,   0.020)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.309,   8.636,   4.779)  (-10.308,   8.636,   4.779)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 12 # gradients 
181: ok 13 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (-23.613,  -2.210,   2.937)  (-23.569,  -2.180,   2.984)  ( 0.18,  1.36,  1.58)
181:     bond    ( 37.054, -12.937,  -8.013)  ( 37.079, -12.911,  -8.009)  ( 0.07,  0.20,  0.05)
181:     angle   (  8.962,  10.378,   2.516)  (  8.976,  10.387,   2.517)  ( 0.16,  0.08,  0.05)
181:     torsion (  0.413,  -0.973,   2.161)  (  0.413,  -0.970,   2.180)  ( 0.01,  0.23,  0.87)
181:     oop     ( -0.012,   0.041,  -0.132)  ( -0.010,   0.035,  -0.109)  ( 0.00,  0.03,  0.30)
181:     vdw     (-70.030,   1.280,   6.405)  (-70.028,   1.279,   6.405)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (  5.393,  18.793,  11.158)  (  5.423,  18.875,  11.055)  ( 0.56,  0.44,  0.92)
181:     bond    ( 33.675, -25.493, -10.735)  ( 33.703, -25.470, -10.732)  ( 0.08,  0.09,  0.03)
181:     angle   (  5.674, -17.005,  -6.268)  (  5.685, -16.993,  -6.267)  ( 0.19,  0.07,  0.03)
181:     torsion ( -0.145,  -0.448,   2.063)  ( -0.145,  -0.446,   2.082)  ( 0.00,  0.09,  0.93)
181:     oop     (  0.056,  -0.262,   0.769)  (  0.047,  -0.218,   0.643)  ( 0.05,  1.13,  9.71)
181:     vdw     (-33.868,  62.001,  25.328)  (-33.867,  62.002,  25.328)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (  1.940,  56.571,  23.255)  (  1.997,  56.545,  23.470)  ( 2.94,  0.05,  0.92)
181:     bond    (-19.349, -52.993, -17.882)  (-19.321, -52.969, -17.878)  ( 0.14,  0.04,  0.02)
181:     angle   ( 19.610,  45.310,  15.043)  ( 19.622,  45.322,  15.044)  ( 0.06,  0.03,  0.01)
181:     torsion (  0.402,  -8.286,  20.372)  (  0.402,  -8.283,  20.392)  ( 0.01,  0.03,  0.10)
181:     oop     ( -0.091,   0.393,  -1.144)  ( -0.076,   0.328,  -0.954)  ( 0.14,  2.57, 16.66)
181:     vdw     (  1.369,  72.147,   6.866)  (  1.370,  72.148,   6.866)  ( 0.11,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (-27.138,  -3.592, -19.127)  (-27.058,  -4.344, -18.348)  ( 0.30, 20.92,  4.08)
181:     bond    (-50.594,  14.579,   8.252)  (-50.560,  14.605,   8.256)  ( 0.07,  0.18,  0.05)
181:     angle   (-30.588, -25.587,  20.635)  (-30.571, -25.572,  20.639)  ( 0.06,  0.06,  0.02)
181:     torsion ( -1.996,  13.629, -22.256)  ( -1.996,  13.632, -22.238)  ( 0.00,  0.02,  0.08)
181:     oop     ( -0.149,   3.849,  -3.856)  ( -0.122,   3.053,  -3.103)  ( 0.41, 20.67, 19.52)
181:     vdw     ( 56.189, -10.062, -21.902)  ( 56.191, -10.062, -21.902)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.333,  -8.190,  -5.814)  (  0.333,  -8.190,  -5.813)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.048,   0.362,   0.971)  ( -0.048,   0.362,   0.971)  ( 0.00,  0.00,  0.00)
179: 18       (  4.901,  -9.780,  -7.635)  (  4.906,  -9.775,  -7.629)  ( 0.12,  0.05,  0.07)
179:     bond    (  8.725, -11.934,  -3.140)  (  8.729, -11.929,  -3.136)  ( 0.04,  0.04,  0.13)
179:     angle   ( -9.764,  -7.159,  -6.067)  ( -9.762,  -7.157,  -6.065)  ( 0.02,  0.03,  0.03)
179:     strbnd  ( -5.015,  10.337,   3.735)  ( -5.015,  10.336,   3.735)  ( 0.00,  0.02,  0.02)
179:     torsion ( -0.197,   1.065,  -2.228)  ( -0.197,   1.065,  -2.228)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.854,  -1.808,   0.220)  ( 10.854,  -1.808,   0.220)  ( 0.00,  0.00,  0.00)
179:     electro (  0.296,  -0.282,  -0.155)  (  0.296,  -0.282,  -0.155)  ( 0.00,  0.00,  0.00)
179: 19       (  3.262, -11.126,   7.782)  (  3.268, -11.121,   7.787)  ( 0.17,  0.05,  0.06)
179:     bond    (  1.121,  -2.081,   3.281)  (  1.125,  -2.077,   3.285)  ( 0.37,  0.19,  0.12)
179:     angle   ( -4.420,  -2.772,   7.469)  ( -4.418,  -2.771,   7.471)  ( 0.04,  0.06,  0.02)
179:     strbnd  (  0.275,   1.768,  -3.446)  (  0.274,   1.768,  -3.447)  ( 0.01,  0.03,  0.03)
179:     torsion (  2.173,  -4.215,  -2.094)  (  2.173,  -4.215,  -2.094)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.113,  -3.826,   2.573)  (  4.113,  -3.826,   2.573)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       (-13.410,  36.890,  -6.616)  (-13.231,  36.875,  -7.066)  ( 1.34,  0.04,  6.81)
179:     bond    (-25.048,  -5.303,  -9.231)  (-25.043,  -5.295,  -9.230)  ( 0.02,  0.16,  0.01)
179:     angle   ( 27.154,  45.020,   3.962)  ( 27.157,  45.022,   3.962)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -8.325,   2.343,  -3.287)  ( -8.326,   2.342,  -3.287)  ( 0.01,  0.03,  0.00)
179:     torsion ( -0.784,   0.421,   0.853)  ( -0.784,   0.421,   0.855)  ( 0.01,  0.00,  0.10)
179:     oop     ( -1.005,   0.148,   2.652)  ( -0.833,   0.123,   2.200)  (17.14,  0.37, 17.06)
179:     vdw     ( -7.531,  -5.686,  -2.010)  ( -7.531,  -5.686,  -2.010)  ( 0.00,  0.00,  0.00)
179:     electro (  2.129,  -0.052,   0.444)  (  2.129,  -0.052,   0.444)  ( 0.00,  0.00,  0.00)
179: 21       (-27.162,  29.352, -13.784)  (-27.190,  29.364, -13.696)  ( 0.10,  0.04,  0.64)
179:     bond    (  1.411,  -0.192,   0.529)  (  1.413,  -0.184,   0.530)  ( 0.16,  0.16,  0.02)
179:     angle   (-46.884,  20.267, -18.839)  (-46.882,  20.268, -18.839)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( 12.752,   3.510,   4.513)  ( 12.751,   3.510,   4.513)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.598,   0.098,   1.696)  ( -0.597,   0.098,   1.697)  ( 0.01,  0.00,  0.05)
179:     oop     (  0.246,  -0.028,  -0.654)  (  0.213,  -0.025,  -0.567)  ( 0.80,  0.01,  5.70)
179:     vdw     (  4.514,   7.067,  -1.941)  (  4.514,   7.067,  -1.941)  ( 0.00,  0.00,  0.00)
179:     electro (  1.398,  -1.371,   0.911)  (  1.398,  -1.371,   0.911)  ( 0.00,  0.00,  0.00)
179: 22       ( 25.373,  -3.530,  11.099)  ( 25.354,  -3.518,  11.172)  ( 0.08,  0.35,  0.65)
179:     bond    (  5.877,  -7.278,   2.737)  (  5.883,  -7.273,   2.738)  ( 0.10,  0.07,  0.03)
179:     angle   ( 43.794,  -7.031,  17.104)  ( 43.796,  -7.028,  17.104)  ( 0.00,  0.03,  0.00)
179:     strbnd  (-22.680,  -3.722,  -8.477)  (-22.681,  -3.722,  -8.477)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.130,  -0.036,  -0.336)  (  0.130,  -0.036,  -0.335)  ( 0.00,  0.00,  0.04)
179:     oop     (  0.109,  -0.020,  -0.288)  (  0.082,  -0.015,  -0.218)  ( 0.29,  0.01,  2.03)
179:     vdw     ( -2.056,  15.026,   0.263)  ( -2.056,  15.026,   0.263)  ( 0.00,  0.00,  0.00)
179:     electro (  0.200,  -0.470,   0.097)  (  0.200,  -0.470,   0.097)  ( 0.00,  0.00,  0.00)
179: 23       (-25.753, -35.180,  -7.611)  (-25.763, -35.169,  -7.561)  ( 0.04,  0.03,  0.66)
179:     bond    ( -0.604, -30.983,   1.773)  ( -0.599, -30.977,   1.774)  ( 0.32,  0.02,  0.05)
179:     angle   (-36.863, -14.117, -12.692)  (-36.861, -14.115, -12.691)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  7.549,   3.290,   2.655)  (  7.548,   3.290,   2.655)  ( 0.01,  0.03,  0.01)
179:     torsion (  0.142,  -0.020,  -0.374)  (  0.142,  -0.020,  -0.373)  ( 0.00,  0.00,  0.04)
179:     oop     (  0.061,  -0.009,  -0.157)  (  0.042,  -0.006,  -0.109)  ( 0.11,  0.00,  0.76)
179:     vdw     (  4.758,   7.545,   1.424)  (  4.758,   7.546,   1.424)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.795,  -0.886,  -0.241)  ( -0.795,  -0.886,  -0.241)  ( 0.00,  0.00,  0.00)
179: 24       ( -0.951,  42.977,  -2.589)  ( -0.872,  42.973,  -2.760)  ( 7.57,  0.01,  6.61)
179:     bond    ( -7.128,  36.476,  -5.032)  ( -7.118,  36.481,  -5.030)  ( 0.14,  0.02,  0.03)
179:     angle   (  3.045,   5.260,   0.441)  (  3.047,   5.262,   0.441)  ( 0.07,  0.05,  0.02)
179:     strbnd  (  3.284,   4.936,   0.917)  (  3.283,   4.934,   0.917)  ( 0.03,  0.02,  0.03)
179:     torsion ( -0.021,  -0.004,   0.079)  ( -0.021,  -0.004,   0.080)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.326,   0.056,   0.831)  ( -0.258,   0.044,   0.657)  ( 2.23,  0.06, 14.42)
179:     vdw     (  3.476,  -4.869,   1.621)  (  3.476,  -4.869,   1.621)  ( 0.00,  0.00,  0.00)
179:     electro ( -3.281,   1.124,  -1.446)  ( -3.281,   1.124,  -1.446)  ( 0.00,  0.00,  0.00)
179: 25       (  2.353, -57.543,   5.157)  (  2.241, -57.512,   5.467)  ( 4.76,  0.05,  5.99)
179:     bond    (  8.283,   2.133,   2.726)  (  8.290,   2.140,   2.727)  ( 0.08,  0.31,  0.03)
179:     angle   ( -6.422, -45.385,   1.001)  ( -6.420, -45.383,   1.001)  ( 0.02,  0.01,  0.03)
179:     strbnd  (-10.186,  -7.939,  -3.501)  (-10.187,  -7.938,  -3.501)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.679,  -0.052,  -1.804)  (  0.679,  -0.052,  -1.802)  ( 0.01,  0.00,  0.06)
179:     oop     (  0.701,  -0.126,  -1.797)  (  0.581,  -0.105,  -1.490)  ( 8.39,  0.25, 17.08)
179:     vdw     (  8.959,  -7.735,   8.017)  (  8.959,  -7.735,   8.017)  ( 0.00,  0.01,  0.00)
179:     electro (  0.340,   1.560,   0.515)  (  0.340,   1.560,   0.515)  ( 0.00,  0.00,  0.00)
179: 26       (-24.471, -19.645,  -3.911)  (-24.482, -19.634,  -3.861)  ( 0.04,  0.05,  1.28)
179:     bond    (-24.696,   9.518, -10.388)  (-24.690,   9.523, -10.387)  ( 0.03,  0.05,  0.01)
179:     angle   ( -7.991, -22.014,  -4.231)  ( -7.989, -22.012,  -4.230)  ( 0.02,  0.01,  0.01)
179:     strbnd  (  7.348,  -6.906,   2.805)  (  7.348,  -6.906,   2.805)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.081,  -0.067,  -0.270)  (  0.081,  -0.067,  -0.270)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.110,  -0.023,  -0.279)  (  0.091,  -0.019,  -0.231)  ( 0.20,  0.01,  1.33)
179:     vdw     (  0.759,  -0.386,   8.493)  (  0.759,  -0.386,   8.493)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.082,   0.233,  -0.042)  ( -0.082,   0.233,  -0.042)  ( 0.00,  0.00,  0.00)
179: 27       ( 41.711,  24.030,  14.411)  ( 41.729,  24.033,  14.383)  ( 0.04,  0.01,  0.19)
179:     bond    ( 18.803,  -4.833,   7.511)  ( 18.809,  -4.830,   7.512)  ( 0.03,  0.06,  0.01)
179:     angle   ( 18.124,  40.689,   3.688)  ( 18.124,  40.692,   3.688)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  3.463, -10.759,   2.073)  (  3.463, -10.760,   2.073)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.026,  -0.003,  -0.071)  (  0.026,  -0.003,  -0.071)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.076,   0.016,   0.200)  ( -0.065,   0.014,   0.171)  ( 0.09,  0.00,  0.58)
179:     vdw     (  0.932,  -1.439,   0.904)  (  0.932,  -1.439,   0.904)  ( 0.01,  0.00,  0.00)
179:     electro (  0.440,   0.358,   0.107)  (  0.440,   0.358,   0.107)  ( 0.00,  0.00,  0.00)
179: 28       ( 11.710, -34.700,   6.799)  ( 11.713, -34.692,   6.813)  ( 0.02,  0.02,  0.21)
179:     bond    ( 10.457,  12.301,   2.949)  ( 10.462,  12.307,   2.950)  ( 0.05,  0.05,  0.03)
179:     angle   ( -9.168, -55.992,   0.592)  ( -9.166, -55.990,   0.592)  ( 0.03,  0.00,  0.03)
179:     strbnd  ( 10.254,   8.892,   3.121)  ( 10.253,   8.891,   3.121)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.078,   0.016,   0.208)  ( -0.078,   0.016,   0.209)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.033,  -0.007,  -0.088)  (  0.029,  -0.006,  -0.076)  ( 0.02,  0.00,  0.11)
179:     vdw     (  0.152,   1.397,  -0.108)  (  0.152,   1.397,  -0.108)  ( 0.00,  0.00,  0.00)
179:     electro (  0.061,  -1.307,   0.124)  (  0.061,  -1.307,   0.124)  ( 0.00,  0.00,  0.00)
179: 29       ( 15.903,   4.286,   5.958)  ( 15.892,   4.291,   6.006)  ( 0.07,  0.11,  0.81)
179:     bond    (  4.738,  -2.006,   1.986)  (  4.745,  -2.005,   1.987)  ( 0.15,  0.06,  0.06)
179:     angle   (  4.344,  11.246,   0.976)  (  4.344,  11.247,   0.976)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  8.204,  -1.157,   3.293)  (  8.204,  -1.157,   3.293)  ( 0.00,  0.02,  0.00)
179:     torsion ( -0.055,   0.010,   0.143)  ( -0.055,   0.010,   0.143)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.076,  -0.012,  -0.195)  (  0.058,  -0.009,  -0.148)  ( 0.14,  0.00,  0.91)
179:     vdw     ( -0.237,  -3.506,   0.148)  ( -0.237,  -3.506,   0.148)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.166,  -0.288,  -0.392)  ( -1.166,  -0.288,  -0.392)  ( 0.00,  0.00,  0.00)
179: 30       ( -2.074,  31.175,  -2.945)  ( -2.064,  31.180,  -2.953)  ( 0.46,  0.02,  0.26)
179:     bond    ( -4.277,   0.277,  -1.598)  ( -4.272,   0.282,  -1.594)  ( 0.12,  0.12,  0.27)
179:     angle   ( 12.189,  27.647,   2.441)  ( 12.190,  27.649,   2.443)  ( 0.02,  0.01,  0.06)
179:     strbnd  (-12.899,  -0.004,  -4.802)  (-12.901,  -0.005,  -4.803)  ( 0.02,  0.00,  0.01)
179:     torsion ( -0.029,  -0.010,   0.078)  ( -0.029,  -0.010,   0.078)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.021,   0.004,   0.055)  ( -0.016,   0.003,   0.042)  ( 0.01,  0.00,  0.07)
179:     vdw     (  2.572,   3.686,   0.693)  (  2.572,   3.686,   0.693)  ( 0.00,  0.00,  0.00)
179:     electro (  0.391,  -0.425,   0.188)  (  0.391,  -0.425,   0.188)  ( 0.00,  0.00,  0.00)
179: 31       ( -1.650,  -0.829,   5.649)  ( -1.630,  -0.826,   5.618)  ( 1.18,  0.22,  0.55)
179:     bond    (  2.316,  -1.013,   0.462)  (  2.320,  -1.009,   0.466)  ( 0.17,  0.39,  0.18)
179:     angle   ( -1.033,  -3.283,   3.719)  ( -1.030,  -3.281,   3.721)  ( 0.20,  0.06,  0.05)
179:     strbnd  ( -1.912,   0.920,  -0.790)  ( -1.913,   0.919,  -0.791)  ( 0.04,  0.06,  0.08)
179:     torsion ( -0.089,   0.197,   0.525)  ( -0.089,   0.197,   0.525)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.059,   0.012,   0.150)  ( -0.045,   0.010,   0.114)  ( 0.08,  0.00,  0.53)
179:     vdw     ( -0.575,   2.524,   1.662)  ( -0.575,   2.524,   1.662)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.297,  -0.187,  -0.080)  ( -0.297,  -0.187,  -0.080)  ( 0.00,  0.00,  0.00)
179: 32       ( -0.533,   9.885,  -5.279)  ( -0.528,   9.891,  -5.275)  ( 0.30,  0.05,  0.09)
179:     bond    ( -0.397,   0.967,   0.156)  ( -0.393,   0.971,   0.160)  ( 0.16,  0.37,  0.06)
179:     angle   (  1.310,   8.321,  -3.491)  (  1.312,   8.323,  -3.489)  ( 0.14,  0.02,  0.06)
179:     strbnd  (  0.932,  -1.664,  -0.673)  (  0.932,  -1.665,  -0.674)  ( 0.03,  0.04,  0.07)
179:     torsion ( -1.283,   1.507,   0.186)  ( -1.282,   1.508,   0.186)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.096,   0.754,  -1.457)  ( -1.096,   0.754,  -1.457)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       ( -0.762,  -6.186,  -6.819)  ( -0.756,  -6.181,  -6.814)  ( 0.42,  0.08,  0.08)
179:     bond    ( -0.257,   0.740,  -0.064)  ( -0.253,   0.744,  -0.060)  ( 0.11,  0.30,  0.03)
179:     angle   ( -0.057,  -7.999,  -0.743)  ( -0.055,  -7.998,  -0.742)  ( 0.01,  0.02,  0.13)
179:     strbnd  ( -0.135,   0.372,   0.957)  ( -0.135,   0.371,   0.957)  ( 0.01,  0.03,  0.07)
179:     torsion (  0.594,   0.454,  -0.563)  (  0.594,   0.454,  -0.563)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.907,   0.247,  -6.406)  ( -0.907,   0.247,  -6.406)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       (  3.845, -11.220,   1.372)  (  3.846, -11.218,   1.373)  ( 0.03,  0.02,  0.05)
179:     bond    (  5.169, -14.116,   0.695)  (  5.169, -14.113,   0.695)  ( 0.01,  0.02,  0.01)
179:     angle   (  3.342,   1.196,  -0.586)  (  3.343,   1.196,  -0.585)  ( 0.02,  0.01,  0.03)
179:     strbnd  ( -1.346,  -0.265,  -0.102)  ( -1.346,  -0.265,  -0.102)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.449,   0.094,  -1.417)  (  0.449,   0.094,  -1.417)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.769,   1.870,   2.782)  ( -3.769,   1.870,   2.782)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       (  3.186,   4.348, -12.560)  (  3.187,   4.349, -12.557)  ( 0.03,  0.02,  0.02)
179:     bond    (  3.564,   5.536, -13.771)  (  3.564,   5.537, -13.769)  ( 0.01,  0.01,  0.02)
179:     angle   (  4.272,   0.896,   1.466)  (  4.273,   0.896,   1.466)  ( 0.01,  0.04,  0.01)
179:     strbnd  ( -1.404,  -0.280,   0.081)  ( -1.404,  -0.280,   0.081)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.176,  -0.765,  -0.353)  ( -0.176,  -0.765,  -0.353)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.070,  -1.039,   0.017)  ( -3.070,  -1.039,   0.017)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       ( 12.939,  -0.809,   0.266)  ( 12.942,  -0.808,   0.266)  ( 0.02,  0.05,  0.02)
179:     bond    ( 14.948,  -0.872,  -2.186)  ( 14.951,  -0.871,  -2.186)  ( 0.02,  0.01,  0.01)
179:     angle   ( -0.194,  -0.295,  -1.209)  ( -0.194,  -0.294,  -1.209)  ( 0.00,  0.01,  0.05)
179:     strbnd  ( -0.620,   0.104,   0.833)  ( -0.620,   0.104,   0.833)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.055,   0.235,   0.284)  (  0.055,   0.235,   0.284)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.250,   0.018,   2.544)  ( -1.250,   0.018,   2.544)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       ( -3.970,  10.635,   0.243)  ( -3.969,  10.638,   0.244)  ( 0.02,  0.03,  0.02)
179:     bond    ( -3.964,  14.301,  -1.740)  ( -3.964,  14.304,  -1.740)  ( 0.01,  0.02,  0.01)
179:     angle   (  0.591,  -0.040,  -1.679)  (  0.592,  -0.040,  -1.678)  ( 0.03,  0.00,  0.03)
179:     strbnd  (  0.204,  -0.463,   0.799)  (  0.204,  -0.463,   0.799)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.285,   0.262,  -0.775)  (  1.285,   0.262,  -0.775)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.086,  -3.424,   3.639)  ( -2.086,  -3.424,   3.639)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 38       ( -0.865,  -4.190,  12.257)  ( -0.865,  -4.189,  12.259)  ( 0.07,  0.02,  0.02)
179:     bond    ( -3.389,  -5.369,  13.737)  ( -3.388,  -5.369,  13.739)  ( 0.01,  0.01,  0.02)
179:     angle   ( -1.029,  -0.520,  -0.457)  ( -1.029,  -0.520,  -0.457)  ( 0.05,  0.02,  0.00)
179:     strbnd  (  0.813,   0.452,  -0.424)  (  0.813,   0.452,  -0.424)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.168,   0.305,   0.160)  (  0.168,   0.305,   0.160)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.572,   0.942,  -0.759)  (  2.572,   0.942,  -0.759)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 39       ( -2.366,  11.043,  -1.302)  ( -2.365,  11.045,  -1.301)  ( 0.04,  0.02,  0.05)
179:     bond    ( -5.175,  13.998,  -0.756)  ( -5.174,  14.001,  -0.756)  ( 0.01,  0.02,  0.01)
179:     angle   ( -1.747,  -0.629,   0.301)  ( -1.746,  -0.629,   0.301)  ( 0.03,  0.00,  0.01)
179:     strbnd  (  0.846,  -0.285,   0.215)  (  0.846,  -0.285,   0.215)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.933,  -0.284,   1.129)  ( -0.933,  -0.284,   1.129)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.643,  -1.758,  -2.190)  (  4.643,  -1.758,  -2.190)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 40       (-14.084,   0.166,   1.101)  (-14.081,   0.167,   1.102)  ( 0.02,  0.01,  0.07)
179:     bond    (-15.161,   0.766,   2.378)  (-15.158,   0.766,   2.378)  ( 0.02,  0.01,  0.01)
179:     angle   (  0.632,  -0.293,   4.123)  (  0.632,  -0.293,   4.124)  ( 0.00,  0.01,  0.01)
179:     strbnd  (  0.268,   0.146,  -1.361)  (  0.268,   0.146,  -1.361)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.102,  -0.786,  -0.394)  ( -0.102,  -0.786,  -0.394)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.279,   0.334,  -3.644)  (  0.280,   0.334,  -3.644)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 41       (  4.171, -11.140,   1.325)  (  4.172, -11.137,   1.325)  ( 0.02,  0.02,  0.06)
179:     bond    (  4.150, -14.362,   1.795)  (  4.150, -14.360,   1.795)  ( 0.01,  0.02,  0.01)
179:     angle   ( -1.040,   0.213,   4.111)  ( -1.039,   0.213,   4.111)  ( 0.04,  0.00,  0.01)
179:     strbnd  (  0.104,   0.125,  -1.337)  (  0.104,   0.125,  -1.337)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.377,  -0.373,   0.198)  ( -1.377,  -0.373,   0.198)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.335,   3.257,  -3.441)  (  2.335,   3.257,  -3.441)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 42       ( -4.567,  10.654,  -2.215)  ( -4.567,  10.656,  -2.215)  ( 0.02,  0.03,  0.03)
179:     bond    ( -3.731,  13.029,  -0.572)  ( -3.730,  13.032,  -0.572)  ( 0.01,  0.02,  0.00)
179:     angle   (  1.346,   0.459,   1.669)  (  1.346,   0.459,   1.669)  ( 0.03,  0.00,  0.03)
179:     strbnd  ( -0.246,  -0.135,  -0.322)  ( -0.246,  -0.135,  -0.322)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.006,  -0.001,   0.005)  ( -0.006,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.931,  -2.698,  -2.995)  ( -1.931,  -2.698,  -2.995)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 43       ( 11.621,  -1.350,  -2.700)  ( 11.624,  -1.349,  -2.700)  ( 0.03,  0.04,  0.02)
179:     bond    ( 13.434,  -0.728,  -1.655)  ( 13.437,  -0.728,  -1.655)  ( 0.02,  0.01,  0.01)
179:     angle   (  0.239,  -0.414,   2.123)  (  0.239,  -0.413,   2.123)  ( 0.00,  0.02,  0.02)
179:     strbnd  ( -0.632,  -0.208,  -0.263)  ( -0.633,  -0.208,  -0.263)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.014,   0.348,  -0.265)  ( -0.014,   0.348,  -0.265)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.406,  -0.348,  -2.640)  ( -1.406,  -0.348,  -2.640)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 44       ( -3.360,  -5.091,  10.354)  ( -3.359,  -5.090,  10.356)  ( 0.02,  0.02,  0.03)
179:     bond    ( -2.735,  -4.743,  12.407)  ( -2.734,  -4.742,  12.410)  ( 0.01,  0.01,  0.02)
179:     angle   (  2.115,   0.037,   0.480)  (  2.115,   0.037,   0.480)  ( 0.02,  0.00,  0.00)
179:     strbnd  ( -0.131,  -0.084,  -0.698)  ( -0.131,  -0.084,  -0.698)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.336,   0.257,   0.024)  ( -0.336,   0.257,   0.024)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.272,  -0.558,  -1.860)  ( -2.272,  -0.558,  -1.860)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 45       (  7.917,   7.582,   1.982)  (  7.919,   7.587,   1.972)  ( 0.03,  0.06,  0.48)
179:     bond    (  9.306,   9.280,   2.085)  (  9.308,   9.282,   2.085)  ( 0.02,  0.02,  0.01)
179:     angle   ( -0.825,   0.781,   0.202)  ( -0.825,   0.782,   0.202)  ( 0.03,  0.02,  0.00)
179:     strbnd  ( -0.536,  -0.577,  -0.147)  ( -0.536,  -0.577,  -0.147)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.003,   0.038,  -0.155)  ( -0.003,   0.038,  -0.155)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,  -0.014,   0.060)  (  0.001,  -0.012,   0.050)  ( 0.00,  0.00,  0.06)
179:     vdw     (  0.608,  -1.936,  -0.168)  (  0.608,  -1.936,  -0.168)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.634,   0.010,   0.105)  ( -0.634,   0.010,   0.105)  ( 0.00,  0.00,  0.00)
179: 46       ( -0.949,   8.842,   2.170)  ( -0.948,   8.848,   2.157)  ( 0.07,  0.07,  0.57)
179:     bond    ( -2.236,  11.174,   2.917)  ( -2.236,  11.177,   2.918)  ( 0.01,  0.03,  0.01)
179:     angle   (  7.037,   1.340,   0.260)  (  7.038,   1.340,   0.260)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  0.866,  -2.736,  -0.746)  (  0.866,  -2.736,  -0.746)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.005,  -0.155,   0.595)  (  0.005,  -0.155,   0.596)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.002,  -0.022,   0.087)  (  0.001,  -0.019,   0.074)  ( 0.00,  0.01,  0.11)
179:     vdw     ( -6.676,  -0.740,  -0.917)  ( -6.676,  -0.740,  -0.917)  ( 0.00,  0.00,  0.00)
179:     electro (  0.054,  -0.019,  -0.027)  (  0.054,  -0.019,  -0.027)  ( 0.00,  0.00,  0.00)
179: 47       (  3.127,  -7.668,  -2.910)  (  3.129,  -7.675,  -2.873)  ( 0.04,  0.09,  1.26)
179:     bond    (  3.394, -11.784,  -3.276)  (  3.394, -11.781,  -3.275)  ( 0.01,  0.03,  0.01)
179:     angle   (  2.930,   0.813,   0.113)  (  2.931,   0.813,   0.113)  ( 0.02,  0.00,  0.00)
179:     strbnd  ( -0.210,   2.122,   0.663)  ( -0.210,   2.122,   0.663)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.017,   0.295,  -1.081)  ( -0.017,   0.295,  -1.080)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.001,   0.065,  -0.234)  ( -0.001,   0.055,  -0.198)  ( 0.00,  0.06,  0.85)
179:     vdw     ( -3.105,   0.175,   0.934)  ( -3.105,   0.175,   0.934)  ( 0.01,  0.00,  0.00)
179:     electro (  0.137,   0.646,  -0.030)  (  0.137,   0.646,  -0.030)  ( 0.00,  0.00,  0.00)
179: 48       (-12.816,  -1.854,   2.520)  (-12.814,  -1.854,   2.521)  ( 0.02,  0.04,  0.03)
179:     bond    (-14.576,  -0.381,   3.434)  (-14.573,  -0.381,   3.434)  ( 0.02,  0.00,  0.01)
179:     angle   (  0.009,  -1.112,  -0.086)  (  0.009,  -1.111,  -0.085)  ( 0.00,  0.06,  0.00)
179:     strbnd  (  1.318,  -0.737,  -0.196)  (  1.318,  -0.737,  -0.196)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.019,   0.024,   0.082)  (  0.019,   0.024,   0.082)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.413,   0.351,  -0.714)  (  0.413,   0.351,  -0.714)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 49       (  5.085,   1.582,   9.404)  (  5.086,   1.583,   9.406)  ( 0.02,  0.07,  0.02)
179:     bond    (  5.282,   5.246,   8.963)  (  5.283,   5.247,   8.965)  ( 0.01,  0.01,  0.02)
179:     angle   ( -6.276,   0.410,   3.458)  ( -6.276,   0.410,   3.458)  ( 0.01,  0.02,  0.01)
179:     strbnd  (  0.301,  -0.757,   0.046)  (  0.301,  -0.757,   0.046)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.066,   0.065,   0.001)  ( -0.066,   0.065,   0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.844,  -3.382,  -3.063)  (  5.844,  -3.382,  -3.063)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 50       ( -4.133,  12.029,  -0.342)  ( -4.132,  12.031,  -0.341)  ( 0.02,  0.02,  0.02)
179:     bond    ( -5.002,  12.797,   0.970)  ( -5.002,  12.800,   0.970)  ( 0.01,  0.02,  0.01)
179:     angle   (  0.821,   0.446,  -1.651)  (  0.821,   0.446,  -1.650)  ( 0.03,  0.00,  0.03)
179:     strbnd  (  0.347,  -0.722,  -0.122)  (  0.347,  -0.722,  -0.122)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.174,  -0.064,  -0.056)  ( -0.174,  -0.064,  -0.056)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.125,  -0.429,   0.516)  ( -0.125,  -0.429,   0.516)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 51       ( 12.057,   2.405,  -2.800)  ( 12.060,   2.406,  -2.799)  ( 0.02,  0.02,  0.03)
179:     bond    ( 11.866,   0.949,  -3.585)  ( 11.869,   0.949,  -3.584)  ( 0.02,  0.01,  0.01)
179:     angle   ( -1.377,   2.670,  -3.852)  ( -1.377,   2.670,  -3.852)  ( 0.00,  0.02,  0.01)
179:     strbnd  ( -0.478,  -0.001,   0.072)  ( -0.478,  -0.001,   0.072)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.190,   2.069,   1.178)  (  0.190,   2.069,   1.178)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.856,  -3.282,   3.388)  (  1.856,  -3.282,   3.388)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 52       ( -7.404,  -4.012,  -9.315)  ( -7.403,  -4.011,  -9.313)  ( 0.02,  0.03,  0.02)
179:     bond    ( -6.876,  -6.421, -10.083)  ( -6.875,  -6.420, -10.081)  ( 0.01,  0.01,  0.02)
179:     angle   (  0.750,   1.477,  -1.453)  (  0.750,   1.478,  -1.453)  ( 0.03,  0.03,  0.02)
179:     strbnd  (  0.385,   0.337,   0.420)  (  0.385,   0.337,   0.420)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.909,   1.279,   0.487)  ( -1.909,   1.279,   0.487)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.246,  -0.685,   1.314)  (  0.246,  -0.685,   1.314)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 53       ( 13.213,  -8.643,   4.216)  ( 13.227,  -8.641,   4.183)  ( 0.11,  0.02,  0.79)
179:     bond    (  1.222, -10.271,   1.446)  (  1.222, -10.266,   1.446)  ( 0.00,  0.05,  0.00)
179:     angle   (  5.790,   0.964,   1.949)  (  5.790,   0.964,   1.949)  ( 0.01,  0.00,  0.01)
179:     strbnd  (  0.388,  -1.593,   0.291)  (  0.388,  -1.593,   0.291)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.654,  -0.156,  -1.664)  (  0.654,  -0.156,  -1.664)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.122,   0.029,   0.309)  ( -0.108,   0.026,   0.275)  ( 0.16,  0.01,  1.04)
179:     vdw     (  4.608,   1.041,   2.666)  (  4.609,   1.041,   2.666)  ( 0.00,  0.00,  0.00)
179:     electro (  0.672,   1.344,  -0.779)  (  0.672,   1.344,  -0.779)  ( 0.00,  0.00,  0.00)
179: 54       ( -7.250, -11.027,  -1.781)  ( -7.249, -11.024,  -1.781)  ( 0.01,  0.03,  0.03)
179:     bond    ( -4.260, -12.234,  -0.605)  ( -4.260, -12.231,  -0.605)  ( 0.01,  0.02,  0.00)
179:     angle   ( -3.795,   1.395,  -1.482)  ( -3.795,   1.395,  -1.482)  ( 0.01,  0.01,  0.03)
179:     strbnd  ( -1.388,  -0.259,  -0.495)  ( -1.388,  -0.259,  -0.495)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.002,  -0.000,  -0.006)  (  0.002,  -0.000,  -0.006)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.191,   0.071,   0.806)  (  2.191,   0.071,   0.806)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 55       (-10.238,   6.128,   6.355)  (-10.237,   6.129,   6.357)  ( 0.01,  0.02,  0.02)
179:     bond    ( -7.660,   6.780,   8.104)  ( -7.659,   6.781,   8.105)  ( 0.01,  0.01,  0.01)
179:     angle   ( -3.786,  -2.269,  -1.680)  ( -3.786,  -2.268,  -1.680)  ( 0.01,  0.01,  0.02)
179:     strbnd  ( -1.833,   0.486,   0.087)  ( -1.833,   0.486,   0.087)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.040,   1.129,  -0.155)  (  3.040,   1.129,  -0.155)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 56       ( -3.327,   4.630, -12.310)  ( -3.326,   4.631, -12.307)  ( 0.02,  0.02,  0.02)
179:     bond    ( -0.179,   5.185, -12.000)  ( -0.178,   5.185, -11.998)  ( 0.00,  0.01,  0.02)
179:     angle   ( -3.994,  -2.155,  -0.872)  ( -3.993,  -2.155,  -0.872)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -1.307,   0.375,  -1.326)  ( -1.307,   0.375,  -1.326)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.002,   0.012,   0.005)  ( -0.002,   0.012,   0.005)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.154,   1.213,   1.884)  (  2.154,   1.213,   1.884)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 57       ( -0.307,  -9.122,  -8.188)  ( -0.306,  -9.120,  -8.187)  ( 0.02,  0.02,  0.02)
179:     bond    (  0.825, -11.920,  -8.291)  (  0.825, -11.918,  -8.290)  ( 0.01,  0.02,  0.01)
179:     angle   (  0.266,   0.885,  -1.246)  (  0.266,   0.885,  -1.246)  ( 0.01,  0.02,  0.03)
179:     strbnd  (  0.564,   0.787,   0.734)  (  0.564,   0.787,   0.734)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.170,  -0.005,   0.024)  (  0.170,  -0.005,   0.024)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.131,   1.130,   0.592)  ( -2.131,   1.130,   0.592)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 58       (  9.212,   6.945,  -1.363)  (  9.214,   6.946,  -1.362)  ( 0.03,  0.02,  0.05)
179:     bond    ( 12.173,   6.773,  -1.368)  ( 12.175,   6.774,  -1.368)  ( 0.02,  0.01,  0.01)
179:     angle   (  0.058,  -0.350,  -1.218)  (  0.058,  -0.349,  -1.217)  ( 0.00,  0.01,  0.04)
179:     strbnd  ( -0.521,  -1.011,   0.065)  ( -0.521,  -1.011,   0.065)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.181,  -0.338,  -0.064)  (  0.181,  -0.338,  -0.064)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.678,   1.870,   1.221)  ( -2.678,   1.870,   1.222)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 59       (-10.799,  -6.712,  -0.430)  (-10.797,  -6.711,  -0.429)  ( 0.02,  0.02,  0.03)
179:     bond    (-12.830,  -7.728,   1.306)  (-12.828,  -7.727,   1.306)  ( 0.02,  0.01,  0.01)
179:     angle   (  0.385,  -0.545,   0.558)  (  0.385,  -0.545,   0.558)  ( 0.01,  0.02,  0.03)
179:     strbnd  (  0.887,   0.269,   0.033)  (  0.887,   0.269,   0.033)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.569,  -0.988,  -0.256)  (  0.569,  -0.988,  -0.256)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.191,   2.279,  -2.071)  (  0.191,   2.279,  -2.071)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 60       (  9.776,  -8.215,   3.975)  (  9.777,  -8.214,   3.976)  ( 0.02,  0.02,  0.02)
179:     bond    ( 11.330,  -9.354,   4.398)  ( 11.332,  -9.353,   4.398)  ( 0.01,  0.01,  0.01)
179:     angle   ( -0.016,   0.054,   0.154)  ( -0.015,   0.054,   0.155)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -0.988,   0.483,  -0.237)  ( -0.988,   0.483,  -0.237)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.315,  -0.335,   0.099)  ( -0.315,  -0.335,   0.099)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.236,   0.937,  -0.438)  ( -0.236,   0.937,  -0.438)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 61       ( -1.361,  -1.860,  12.613)  ( -1.360,  -1.859,  12.616)  ( 0.04,  0.04,  0.02)
179:     bond    ( -1.242,  -3.974,  13.096)  ( -1.242,  -3.974,  13.099)  ( 0.01,  0.01,  0.02)
179:     angle   ( -0.493,   2.159,   0.609)  ( -0.492,   2.160,   0.609)  ( 0.02,  0.02,  0.00)
179:     strbnd  (  0.058,   0.509,  -0.577)  (  0.058,   0.509,  -0.577)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.242,  -0.008,   0.020)  (  0.242,  -0.008,   0.020)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.075,  -0.546,  -0.535)  (  0.075,  -0.546,  -0.535)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 62       (  9.949,   7.205,  -0.655)  (  9.951,   7.206,  -0.654)  ( 0.02,  0.02,  0.04)
179:     bond    ( 11.359,   7.334,  -1.037)  ( 11.361,   7.335,  -1.037)  ( 0.02,  0.01,  0.01)
179:     angle   ( -0.599,   1.148,   1.564)  ( -0.599,   1.148,   1.564)  ( 0.01,  0.03,  0.03)
179:     strbnd  ( -0.498,  -0.036,   0.239)  ( -0.498,  -0.036,   0.239)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.089,  -0.116,   0.153)  (  0.089,  -0.116,   0.153)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.402,  -1.125,  -1.573)  ( -0.402,  -1.125,  -1.573)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 63       ( -9.227,   7.918,  -3.842)  ( -9.225,   7.919,  -3.841)  ( 0.02,  0.02,  0.02)
179:     bond    (-10.234,   7.920,  -2.677)  (-10.232,   7.921,  -2.677)  ( 0.02,  0.01,  0.01)
179:     angle   (  0.410,   1.448,   2.720)  (  0.410,   1.449,   2.720)  ( 0.01,  0.02,  0.02)
179:     strbnd  (  0.495,  -0.112,   0.334)  (  0.495,  -0.112,   0.334)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.316,  -0.287,   0.358)  ( -0.316,  -0.287,   0.358)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.419,  -1.051,  -4.577)  (  0.419,  -1.051,  -4.577)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 36 # gradients 
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-31.880, -44.982,  35.045)  (-31.882, -44.749,  34.526)  ( 0.01,  0.52,  1.48)
181:     bond    (-40.420,  41.995,  21.806)  (-40.392,  42.018,  21.810)  ( 0.07,  0.06,  0.02)
181:     angle   (-15.456,  -7.499,  -1.323)  (-15.444,  -7.487,  -1.321)  ( 0.08,  0.16,  0.14)
181:     torsion (  4.465, -13.505,  34.153)  (  4.466, -13.502,  34.172)  ( 0.00,  0.02,  0.06)
181:     oop     (  0.262,  -1.152,   3.243)  (  0.219,  -0.958,   2.700)  ( 1.13, 16.82, 16.74)
181:     vdw     ( 19.269, -64.822, -22.834)  ( 19.270, -64.821, -22.833)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (-12.291, -27.965, -12.989)  (-12.245, -27.951, -12.903)  ( 0.37,  0.05,  0.66)
181:     bond    ( 44.261,  36.517,   8.020)  ( 44.289,  36.540,   8.023)  ( 0.06,  0.06,  0.04)
181:     angle   (-13.442,  -1.258,   0.913)  (-13.431,  -1.246,   0.915)  ( 0.08,  0.94,  0.13)
181:     torsion ( -0.065,   2.436,  -2.077)  ( -0.065,   2.438,  -2.058)  ( 0.00,  0.09,  0.91)
181:     oop     ( -0.038,   0.156,  -0.397)  ( -0.032,   0.132,  -0.334)  ( 0.02,  0.39,  2.46)
181:     vdw     (-43.007, -65.816, -19.449)  (-43.007, -65.815, -19.449)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (-25.860,  -1.136, 338.779)  (-25.614,   0.247, 337.431)  ( 0.95, 121.78,  0.40)
181:     bond    ( 65.767, 140.323, 186.598)  ( 65.806, 140.339, 186.620)  ( 0.06,  0.01,  0.01)
181:     angle   (-41.279,  19.132,  42.502)  (-41.263,  19.142,  42.512)  ( 0.04,  0.05,  0.02)
181:     torsion (-46.293, -174.861, 111.475)  (-46.292, -174.854, 111.480)  ( 0.00,  0.00,  0.00)
181:     oop     ( -1.261,  -6.768,   7.409)  ( -1.070,  -5.418,   6.024)  (15.15, 19.95, 18.69)
181:     vdw     ( -2.796,  21.037,  -9.205)  ( -2.795,  21.038,  -9.205)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (  2.007, -141.218, -337.027)  (  1.906, -139.418, -337.650)  ( 5.02,  1.27,  0.18)
181:     bond    (-148.647, -41.584, -55.210)  (-148.617, -41.572, -55.173)  ( 0.02,  0.03,  0.07)
181:     angle   (150.718, -65.909, -63.785)  (150.744, -65.902, -63.775)  ( 0.02,  0.01,  0.02)
181:     torsion (-23.473,  13.213, -231.721)  (-23.472,  13.218, -231.720)  ( 0.00,  0.04,  0.00)
181:     oop     (  1.005, -10.683,   4.518)  (  0.847,  -8.909,   3.846)  (15.73, 16.60, 14.87)
181:     vdw     ( 22.404, -36.254,   9.172)  ( 22.405, -36.253,   9.172)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-40.105,  25.157, -120.469)  (-40.036,  24.105, -119.861)  ( 0.17,  4.18,  0.50)
181:     bond    ( 30.421, -42.975, -81.162)  ( 30.425, -42.968, -81.138)  ( 0.01,  0.02,  0.03)
181:     angle   (-97.973, -21.203, -25.506)  (-97.964, -21.203, -25.506)  ( 0.01,  0.00,  0.00)
181:     torsion ( -6.259, 116.531, -64.058)  ( -6.259, 116.532, -64.058)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.265,   5.425,  -2.973)  ( -0.209,   4.364,  -2.389)  ( 1.47, 19.56, 19.62)
181:     vdw     ( 33.971, -32.620,  53.230)  ( 33.972, -32.619,  53.231)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       ( 91.167,   5.416,  71.329)  ( 91.166,   4.769,  71.373)  ( 0.00, 11.95,  0.06)
181:     bond    (226.913, -56.230, -30.230)  (226.943, -56.204, -30.227)  ( 0.01,  0.05,  0.01)
181:     angle   (-194.316,  65.945, -70.440)  (-194.300,  65.958, -70.436)  ( 0.01,  0.02,  0.01)
181:     torsion ( 32.606, -18.848, 156.550)  ( 32.607, -18.846, 156.563)  ( 0.00,  0.01,  0.01)
181:     oop     (  0.229,   4.708,  -0.230)  (  0.181,   4.020,  -0.205)  ( 1.09, 14.62,  0.56)
181:     vdw     ( 25.735,   9.840,  15.679)  ( 25.736,   9.841,  15.679)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (225.628, -206.652,  69.044)  (225.683, -206.423,  69.714)  ( 0.02,  0.11,  0.97)
181:     bond    ( 93.426, -53.532,   4.505)  ( 93.459, -53.503,   4.510)  ( 0.04,  0.05,  0.10)
181:     angle   (119.389, -90.859, 170.310)  (119.405, -90.843, 170.313)  ( 0.01,  0.02,  0.00)
181:     torsion ( 13.029, -48.793, -96.910)  ( 13.029, -48.791, -96.893)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.069,  -0.913,  -3.501)  ( -0.065,  -0.731,  -2.856)  ( 0.03, 16.60, 18.45)
181:     vdw     ( -0.146, -12.555,  -5.360)  ( -0.146, -12.555,  -5.360)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-93.468, -119.866,  38.940)  (-93.411, -119.855,  38.827)  ( 0.06,  0.01,  0.29)
181:     bond    (-186.226, -17.199,  -4.867)  (-186.184, -17.162,  -4.865)  ( 0.02,  0.21,  0.05)
181:     angle   (100.853, -104.886,  -7.299)  (100.869, -104.868,  -7.296)  ( 0.02,  0.02,  0.04)
181:     torsion ( -3.809,   9.448,  48.069)  ( -3.809,   9.448,  48.091)  ( 0.00,  0.01,  0.04)
181:     oop     ( -0.012,   0.289,   1.060)  ( -0.013,   0.245,   0.920)  ( 0.00,  1.28, 13.28)
181:     vdw     ( -4.274,  -7.518,   1.976)  ( -4.274,  -7.518,   1.977)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (  3.335, 288.444, -76.170)  (  3.362, 288.525, -75.893)  ( 0.82,  0.03,  0.36)
181:     bond    (  4.828, 149.615, -23.114)  (  4.856, 149.648, -23.113)  ( 0.59,  0.02,  0.01)
181:     angle   ( 58.584,  79.414, -45.322)  ( 58.600,  79.429, -45.321)  ( 0.03,  0.02,  0.00)
181:     torsion ( -0.800,  11.926, -13.399)  ( -0.800,  11.927, -13.378)  ( 0.02,  0.01,  0.16)
181:     oop     (  0.110,  -0.159,  -1.678)  (  0.091,  -0.129,  -1.424)  ( 0.21,  0.48, 15.12)
181:     vdw     (-59.388,  47.647,   7.343)  (-59.386,  47.650,   7.343)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       ( 97.961, 147.551, 113.911)  ( 98.001, 147.592, 113.202)  ( 0.04,  0.03,  0.62)
181:     bond    (-154.829, 111.469,  -0.872)  (-154.804, 111.501,  -0.871)  ( 0.02,  0.03,  0.09)
181:     angle   (248.150,  36.634,  82.756)  (248.166,  36.648,  82.756)  ( 0.01,  0.04,  0.00)
181:     torsion ( -1.838,  -9.032,  27.518)  ( -1.838,  -9.032,  27.541)  ( 0.02,  0.00,  0.08)
181:     oop     ( -0.039,   0.000,   3.201)  ( -0.040,  -0.006,   2.469)  ( 0.00,  0.00, 22.88)
181:     vdw     (  6.518,   8.480,   1.307)  (  6.518,   8.480,   1.307)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       (-105.638, -92.389,  26.667)  (-105.524, -92.343,  27.540)  ( 0.11,  0.05,  3.28)
181:     bond    ( 53.724, -43.269, -13.811)  ( 53.752, -43.241, -13.809)  ( 0.05,  0.06,  0.01)
181:     angle   (-150.033, -101.179,  -4.308)  (-150.019, -101.165,  -4.309)  ( 0.01,  0.01,  0.01)
181:     torsion (-12.547,  -1.115,  45.037)  (-12.546,  -1.115,  45.061)  ( 0.00,  0.01,  0.05)
181:     oop     ( -0.413,   0.024,  -4.236)  ( -0.342,   0.027,  -3.386)  ( 2.93,  0.01, 20.05)
181:     vdw     (  3.631,  53.150,   3.984)  (  3.631,  53.151,   3.984)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       (-73.437,   0.837,  32.603)  (-73.425,   0.887,  32.365)  ( 0.02,  4.21,  0.73)
181:     bond    ( 50.547, -70.937, -15.049)  ( 50.574, -70.910, -15.048)  ( 0.05,  0.04,  0.01)
181:     angle   (-70.177,  42.637,   8.768)  (-70.165,  42.649,   8.768)  ( 0.02,  0.03,  0.00)
181:     torsion (  3.371,  -2.144,  22.650)  (  3.371,  -2.143,  22.671)  ( 0.02,  0.02,  0.09)
181:     oop     (  0.179,  -0.069,   1.564)  (  0.150,  -0.060,   1.303)  ( 0.52,  0.07, 16.70)
181:     vdw     (-57.357,  31.349,  14.670)  (-57.356,  31.350,  14.670)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       (-38.012,   1.098,  26.556)  (-37.969,   1.136,  26.591)  ( 0.11,  3.43,  0.13)
181:     bond    ( 38.128,  64.277,   2.987)  ( 38.153,  64.305,   2.988)  ( 0.07,  0.04,  0.04)
181:     angle   (  4.265, -26.112,  -4.627)  (  4.279, -26.101,  -4.627)  ( 0.32,  0.04,  0.00)
181:     torsion (  3.666,  -2.511,  22.904)  (  3.666,  -2.510,  22.925)  ( 0.01,  0.01,  0.09)
181:     oop     ( -0.014,   0.010,  -0.082)  ( -0.012,   0.008,  -0.069)  ( 0.00,  0.00,  0.11)
181:     vdw     (-84.058, -34.566,   5.374)  (-84.056, -34.565,   5.374)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       ( -6.612, -14.388,   4.623)  ( -6.583, -14.337,   4.539)  ( 0.44,  0.35,  1.82)
181:     bond    (-23.301,  24.678,   5.043)  (-23.273,  24.703,   5.044)  ( 0.12,  0.10,  0.02)
181:     angle   ( 23.724,  18.525,  -0.135)  ( 23.734,  18.539,  -0.135)  ( 0.04,  0.08,  0.00)
181:     torsion (  0.087,  -0.016,   3.427)  (  0.087,  -0.016,   3.448)  ( 0.00,  0.00,  0.62)
181:     oop     (  0.058,  -0.061,   0.636)  (  0.049,  -0.051,   0.530)  ( 0.06,  0.06,  6.75)
181:     vdw     ( -7.180, -57.513,  -4.349)  ( -7.180, -57.512,  -4.349)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       ( 11.714,  20.273,   5.442)  ( 11.764,  20.303,   5.582)  ( 0.43,  0.14,  2.59)
181:     bond    (  3.716,  51.056,   3.270)  (  3.743,  51.083,   3.271)  ( 0.71,  0.05,  0.02)
181:     angle   (-53.611,  15.132,   7.002)  (-53.599,  15.144,   7.002)  ( 0.02,  0.08,  0.00)
181:     torsion (  1.337,  -0.581,   6.526)  (  1.337,  -0.581,   6.547)  ( 0.01,  0.01,  0.32)
181:     oop     ( -0.057,   0.060,  -0.698)  ( -0.047,   0.050,  -0.579)  ( 0.06,  0.06,  8.29)
181:     vdw     ( 60.329, -45.394, -10.659)  ( 60.330, -45.393, -10.659)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       ( 85.817,   0.348,   2.069)  ( 85.847,   0.385,   2.035)  ( 0.04,  1.29,  1.64)
181:     bond    (-102.276,  22.499,  12.095)  (-102.251,  22.527,  12.096)  ( 0.02,  0.13,  0.01)
181:     angle   (114.983,   0.338, -13.795)  (114.997,   0.349, -13.795)  ( 0.01,  0.36,  0.00)
181:     torsion (  3.315,   2.200,  13.926)  (  3.315,   2.200,  13.947)  ( 0.01,  0.01,  0.15)
181:     oop     (  0.081,   0.015,   0.475)  (  0.070,   0.011,   0.419)  ( 0.09,  0.01,  2.68)
181:     vdw     ( 69.714, -24.704, -10.632)  ( 69.716, -24.702, -10.632)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (-66.238,  22.367,  95.317)  (-66.197,  22.317,  95.067)  ( 0.06,  0.22,  0.26)
181:     bond    ( 55.099, -110.431, 101.265)  ( 55.118, -110.408, 101.284)  ( 0.03,  0.02,  0.02)
181:     angle   (-100.710,  88.879, -129.473)  (-100.696,  88.891, -129.464)  ( 0.01,  0.01,  0.01)
181:     torsion (-18.856,  33.146, 127.144)  (-18.854,  33.148, 127.149)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.022,   0.319,   1.038)  ( -0.016,   0.233,   0.756)  ( 0.01,  2.77, 27.17)
181:     vdw     ( -1.750,  10.454,  -4.658)  ( -1.749,  10.454,  -4.658)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       ( 10.945, -26.557,  21.043)  ( 10.974, -26.528,  21.072)  ( 0.26,  0.11,  0.14)
181:     bond    ( 78.061, -32.255, -59.087)  ( 78.080, -32.237, -59.068)  ( 0.02,  0.05,  0.03)
181:     angle   (-71.166, -17.158,  58.672)  (-71.158, -17.148,  58.681)  ( 0.01,  0.05,  0.02)
181:     torsion ( 16.636,   5.460,  15.588)  ( 16.636,   5.461,  15.588)  ( 0.00,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-12.585,  17.395,   5.870)  (-12.584,  17.396,   5.870)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       ( 33.427, -21.864,   6.423)  ( 33.457, -21.835,   6.452)  ( 0.09,  0.13,  0.45)
181:     bond    (-69.515, -53.766,  16.940)  (-69.496, -53.748,  16.959)  ( 0.03,  0.03,  0.11)
181:     angle   (104.511,   2.138,  -2.504)  (104.521,   2.147,  -2.495)  ( 0.01,  0.41,  0.34)
181:     torsion (  7.290,  -4.506,  14.180)  (  7.291,  -4.505,  14.182)  ( 0.01,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.860,  34.269, -22.193)  ( -8.858,  34.270, -22.193)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       (-59.522,  73.111, -61.491)  (-59.480,  73.147, -61.474)  ( 0.07,  0.05,  0.03)
181:     bond    ( -1.423, -127.289,  25.653)  ( -1.396, -127.270,  25.672)  ( 1.85,  0.02,  0.07)
181:     angle   (-73.912, 231.350, -63.017)  (-73.899, 231.367, -63.008)  ( 0.02,  0.01,  0.01)
181:     torsion ( -1.153,  -2.884, -31.550)  ( -1.153,  -2.883, -31.544)  ( 0.07,  0.07,  0.02)
181:     oop     ( -0.002,   0.011,   0.067)  ( -0.002,   0.008,   0.050)  ( 0.00,  0.00,  0.11)
181:     vdw     ( 16.968, -28.077,   7.357)  ( 16.969, -28.076,   7.357)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       ( -9.675,   6.016, -13.876)  ( -9.641,   6.050, -13.844)  ( 0.35,  0.57,  0.23)
181:     bond    (-21.693, 101.511, -10.537)  (-21.673, 101.529, -10.518)  ( 0.09,  0.02,  0.17)
181:     angle   (-41.649, -155.895,   4.820)  (-41.638, -155.882,   4.830)  ( 0.03,  0.01,  0.22)
181:     torsion ( -2.346,  -4.745,  -0.756)  ( -2.345,  -4.743,  -0.754)  ( 0.03,  0.03,  0.21)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 56.013,  65.145,  -7.403)  ( 56.015,  65.146,  -7.403)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       (-66.360,  63.008, 151.800)  (-66.326,  63.047, 151.841)  ( 0.05,  0.06,  0.03)
181:     bond    ( 23.914, -31.082, 126.884)  ( 23.934, -31.059, 126.909)  ( 0.08,  0.07,  0.02)
181:     angle   (-80.332, 108.889,  -9.633)  (-80.318, 108.904,  -9.619)  ( 0.02,  0.01,  0.15)
181:     torsion ( -4.548,  -7.157,  32.760)  ( -4.547,  -7.156,  32.761)  ( 0.01,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.395,  -7.642,   1.790)  ( -5.394,  -7.642,   1.790)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       ( -3.335,  28.070,  31.883)  ( -3.302,  28.101,  31.915)  ( 1.00,  0.11,  0.10)
181:     bond    ( -2.543, 116.577,  10.472)  ( -2.523, 116.596,  10.490)  ( 0.81,  0.02,  0.17)
181:     angle   (-14.795, -77.489, -16.820)  (-14.784, -77.477, -16.808)  ( 0.08,  0.02,  0.07)
181:     torsion (  3.122, -17.800,  28.898)  (  3.123, -17.799,  28.899)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.881,   6.781,   9.333)  ( 10.882,   6.781,   9.333)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       (-24.969, -88.911, 251.020)  (-24.932, -88.876, 251.061)  ( 0.15,  0.04,  0.02)
181:     bond    ( 27.243, -89.704, 157.951)  ( 27.263, -89.683, 157.978)  ( 0.08,  0.02,  0.02)
181:     angle   (-61.752,   2.506,  67.387)  (-61.736,   2.520,  67.401)  ( 0.03,  0.56,  0.02)
181:     torsion ( 16.304,   4.570,  25.812)  ( 16.305,   4.570,  25.813)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -6.765,  -6.283,  -0.131)  ( -6.764,  -6.283,  -0.131)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       (121.830, 139.624,   6.344)  (121.601, 140.012,   6.557)  ( 0.19,  0.28,  3.36)
181:     bond    ( 53.237, 119.656,  38.714)  ( 53.256, 119.676,  38.733)  ( 0.04,  0.02,  0.05)
181:     angle   ( 33.866,  64.258, -10.453)  ( 33.877,  64.269, -10.439)  ( 0.03,  0.02,  0.14)
181:     torsion ( 11.309, -24.297,  36.020)  ( 11.309, -24.296,  36.020)  ( 0.00,  0.00,  0.00)
181:     oop     (  2.504,  -3.437,  -1.712)  (  2.244,  -3.079,  -1.533)  (10.38, 10.39, 10.43)
181:     vdw     ( 20.914, -16.557, -56.225)  ( 20.915, -16.557, -56.224)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       (-634.732, -306.472, -606.488)  (-632.744, -308.968, -607.724)  ( 0.31,  0.81,  0.20)
181:     bond    (-277.869,  75.610, -564.058)  (-277.851,  75.624, -564.017)  ( 0.01,  0.02,  0.01)
181:     angle   (-406.214, -378.621,   3.969)  (-406.199, -378.612,   3.979)  ( 0.00,  0.00,  0.23)
181:     torsion (  7.598,  -8.679,  14.394)  (  7.598,  -8.679,  14.394)  ( 0.00,  0.01,  0.00)
181:     oop     ( -9.905,  13.111,   6.630)  ( -7.950,  10.593,   5.341)  (19.74, 19.21, 19.44)
181:     vdw     ( 51.658,  -7.894, -67.422)  ( 51.659,  -7.894, -67.421)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (255.888, -20.863, 326.222)  (255.033, -19.748, 326.821)  ( 0.33,  5.34,  0.18)
181:     bond    (-25.278, -142.548, 236.213)  (-25.277, -142.539, 236.238)  ( 0.01,  0.01,  0.01)
181:     angle   (245.224, 135.470, 107.978)  (245.229, 135.472, 107.978)  ( 0.00,  0.00,  0.00)
181:     torsion ( 16.660, -22.922, -12.048)  ( 16.659, -22.923, -12.048)  ( 0.00,  0.00,  0.00)
181:     oop     (  3.710,  -4.857,  -2.534)  (  2.848,  -3.754,  -1.960)  (23.23, 22.71, 22.63)
181:     vdw     ( 15.572,  13.995,  -3.387)  ( 15.573,  13.995,  -3.387)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       (714.427, 258.670, -21.571)  (713.613, 259.733, -21.011)  ( 0.11,  0.41,  2.60)
181:     bond    (224.614,   7.051, 333.105)  (224.621,   7.049, 333.121)  ( 0.00,  0.02,  0.01)
181:     angle   (185.180, 209.834, -129.309)  (185.184, 209.837, -129.308)  ( 0.00,  0.00,  0.00)
181:     torsion (-17.793,  24.359,  11.482)  (-17.793,  24.359,  11.482)  ( 0.00,  0.00,  0.00)
181:     oop     (  3.689,  -4.821,  -2.386)  (  2.858,  -3.759,  -1.847)  (22.53, 22.02, 22.57)
181:     vdw     (318.736,  22.247, -234.463)  (318.744,  22.246, -234.459)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       ( 71.242, -142.602,  -9.270)  ( 71.247, -142.570,  -9.245)  ( 0.01,  0.02,  0.27)
181:     bond    ( -6.359, -151.413, -79.773)  ( -6.359, -151.384, -79.756)  ( 0.00,  0.02,  0.02)
181:     angle   ( 74.980, -19.554,  66.012)  ( 74.984, -19.551,  66.020)  ( 0.01,  0.01,  0.01)
181:     torsion ( -8.427,   9.675,  -6.479)  ( -8.427,   9.676,  -6.479)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 11.049,  18.689,  10.970)  ( 11.050,  18.690,  10.970)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       (-57.580,  58.619, -138.104)  (-57.548,  58.623, -138.077)  ( 0.06,  0.01,  0.02)
181:     bond    (-63.307,   3.061, -175.086)  (-63.282,   3.062, -175.065)  ( 0.04,  0.04,  0.01)
181:     angle   ( 11.175,   1.052,   6.951)  ( 11.181,   1.055,   6.956)  ( 0.05,  0.32,  0.08)
181:     torsion ( -3.889,  38.685,   2.208)  ( -3.889,  38.685,   2.208)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.559,  15.821,  27.823)  ( -1.558,  15.821,  27.823)  ( 0.05,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       ( 12.880,  -1.499,  -9.262)  ( 12.896,  -1.500,  -9.241)  ( 0.13,  0.08,  0.23)
181:     bond    ( 16.396,  -0.223,  -1.751)  ( 16.411,  -0.223,  -1.751)  ( 0.09,  0.00,  0.01)
181:     angle   ( -0.183,  -3.658,  -1.246)  ( -0.183,  -3.654,  -1.246)  ( 0.00,  0.10,  0.03)
181:     torsion ( -0.658,   2.290,  -6.462)  ( -0.658,   2.290,  -6.457)  ( 0.00,  0.03,  0.07)
181:     oop     ( -0.010,   0.033,  -0.096)  ( -0.008,   0.028,  -0.080)  ( 0.00,  0.02,  0.16)
181:     vdw     ( -2.666,   0.060,   0.293)  ( -2.666,   0.060,   0.293)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       (  1.682, -17.045,   4.237)  (  1.691, -17.045,   4.278)  ( 0.55,  0.00,  0.97)
181:     bond    (  7.488, -13.781,  -5.274)  (  7.491, -13.770,  -5.272)  ( 0.04,  0.08,  0.03)
181:     angle   ( -4.769,  -2.422,  -0.447)  ( -4.766,  -2.421,  -0.447)  ( 0.07,  0.03,  0.00)
181:     torsion (  0.762,  -3.146,   9.292)  (  0.762,  -3.145,   9.297)  ( 0.00,  0.02,  0.05)
181:     oop     ( -0.016,   0.071,  -0.208)  ( -0.013,   0.059,  -0.173)  ( 0.00,  0.08,  0.73)
181:     vdw     ( -1.782,   2.233,   0.873)  ( -1.782,   2.233,   0.873)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       (-13.474, -16.279,   2.644)  (-13.472, -16.245,   2.585)  ( 0.02,  0.21,  2.24)
181:     bond    ( -8.186, -13.103,  -3.777)  ( -8.182, -13.093,  -3.776)  ( 0.05,  0.08,  0.02)
181:     angle   ( 16.163,  -8.868,  -4.283)  ( 16.166,  -8.867,  -4.283)  ( 0.02,  0.01,  0.01)
181:     torsion (  1.541,  -5.826,  16.856)  (  1.541,  -5.826,  16.860)  ( 0.00,  0.01,  0.03)
181:     oop     (  0.033,  -0.137,   0.403)  (  0.028,  -0.115,   0.337)  ( 0.02,  0.30,  2.62)
181:     vdw     (-23.026,  11.655,  -6.553)  (-23.025,  11.655,  -6.553)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 38       (  1.702,  16.175, -14.981)  (  1.724,  16.112, -14.751)  ( 1.32,  0.39,  1.54)
181:     bond    ( -5.820,  11.039,   4.124)  ( -5.817,  11.050,   4.125)  ( 0.05,  0.10,  0.04)
181:     angle   ( 12.767,   6.308,   1.110)  ( 12.770,   6.308,   1.110)  ( 0.03,  0.01,  0.00)
181:     torsion ( -1.134,   5.864, -17.312)  ( -1.134,   5.864, -17.307)  ( 0.00,  0.01,  0.03)
181:     oop     ( -0.098,   0.449,  -1.342)  ( -0.082,   0.374,  -1.117)  ( 0.16,  3.39, 16.73)
181:     vdw     ( -4.012,  -7.485,  -1.562)  ( -4.012,  -7.485,  -1.562)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 39       (  7.581,  16.776, -20.433)  (  7.594,  16.772, -20.382)  ( 0.16,  0.02,  0.25)
181:     bond    (  8.737,  13.297,   3.406)  (  8.741,  13.307,   3.407)  ( 0.05,  0.08,  0.02)
181:     angle   (  2.916,  -1.685,  -0.910)  (  2.919,  -1.685,  -0.910)  ( 0.10,  0.06,  0.02)
181:     torsion ( -2.476,   7.286, -22.114)  ( -2.476,   7.286, -22.110)  ( 0.00,  0.01,  0.02)
181:     oop     ( -0.031,   0.090,  -0.274)  ( -0.026,   0.076,  -0.229)  ( 0.02,  0.13,  1.23)
181:     vdw     ( -1.565,  -2.212,  -0.540)  ( -1.565,  -2.212,  -0.540)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 40       ( 32.749,  16.958, -149.806)  ( 32.672,  16.278, -149.079)  ( 0.23,  4.01,  0.49)
181:     bond    ( 33.459, -55.246, -49.387)  ( 33.463, -55.235, -49.378)  ( 0.01,  0.02,  0.02)
181:     angle   (-26.229,  -1.697, -15.875)  (-26.224,  -1.697, -15.874)  ( 0.02,  0.03,  0.01)
181:     torsion ( 34.711,  62.839, -46.773)  ( 34.711,  62.841, -46.772)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.596,   4.195,  -4.289)  (  0.509,   3.503,  -3.573)  ( 5.14, 16.51, 16.70)
181:     vdw     ( -9.787,   6.866, -33.483)  ( -9.786,   6.867, -33.482)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 41       (-65.197, -69.425, -57.284)  (-65.175, -69.429, -57.385)  ( 0.03,  0.01,  0.18)
181:     bond    ( 10.154,  -5.855,   1.667)  ( 10.165,  -5.852,   1.667)  ( 0.11,  0.06,  0.01)
181:     angle   (-38.237, -64.749,   5.881)  (-38.236, -64.745,   5.881)  ( 0.00,  0.01,  0.00)
181:     torsion (  7.173, -12.413, -87.325)  (  7.173, -12.413, -87.319)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.035,   0.067,   0.450)  ( -0.027,   0.051,   0.343)  ( 0.03,  0.10,  4.83)
181:     vdw     (-44.252,  13.526,  22.043)  (-44.251,  13.530,  22.043)  ( 0.00,  0.03,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 42       ( 12.007,   0.809, -50.538)  ( 12.023,   0.815, -50.506)  ( 0.13,  0.46,  0.06)
181:     bond    (  0.960,  -0.653,  -0.220)  (  0.970,  -0.649,  -0.219)  ( 0.96,  0.29,  0.01)
181:     angle   ( 19.290,  28.705,   0.377)  ( 19.291,  28.708,   0.377)  ( 0.01,  0.01,  0.00)
181:     torsion (-10.675,   8.352, -71.968)  (-10.675,   8.352, -71.964)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.024,   0.019,  -0.163)  ( -0.020,   0.016,  -0.137)  ( 0.01,  0.01,  0.43)
181:     vdw     (  2.457, -35.613,  21.436)  (  2.457, -35.612,  21.436)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 43       ( 12.317,   5.787,  17.733)  ( 12.331,   5.792,  17.749)  ( 0.12,  0.08,  0.09)
181:     bond    ( 14.478,   6.220,  -0.840)  ( 14.490,   6.223,  -0.840)  ( 0.09,  0.04,  0.01)
181:     angle   ( -1.288,   3.054,   0.437)  ( -1.288,   3.058,   0.437)  ( 0.05,  0.11,  0.00)
181:     torsion (  1.897,  -1.940,  18.353)  (  1.897,  -1.940,  18.358)  ( 0.00,  0.00,  0.03)
181:     oop     ( -0.007,   0.007,  -0.068)  ( -0.006,   0.006,  -0.057)  ( 0.00,  0.00,  0.08)
181:     vdw     ( -2.763,  -1.555,  -0.150)  ( -2.763,  -1.555,  -0.150)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 44       ( -4.598,  11.285,  10.406)  ( -4.591,  11.297,  10.440)  ( 0.16,  0.10,  0.33)
181:     bond    (  1.748,  14.035,   1.261)  (  1.748,  14.050,   1.262)  ( 0.02,  0.10,  0.01)
181:     angle   ( -6.788,   0.776,   0.761)  ( -6.784,   0.776,   0.761)  ( 0.06,  0.00,  0.00)
181:     torsion (  0.817,  -0.896,   8.840)  (  0.817,  -0.896,   8.845)  ( 0.00,  0.01,  0.06)
181:     oop     ( -0.016,   0.017,  -0.169)  ( -0.014,   0.014,  -0.140)  ( 0.00,  0.01,  0.49)
181:     vdw     ( -0.359,  -2.647,  -0.287)  ( -0.358,  -2.647,  -0.287)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 45       (-18.905,   0.809, -12.324)  (-18.899,   0.821, -12.374)  ( 0.03,  1.03,  0.41)
181:     bond    (-14.221,  10.344,   2.191)  (-14.211,  10.350,   2.191)  ( 0.07,  0.05,  0.01)
181:     angle   ( -5.224,  -7.145,  -0.135)  ( -5.222,  -7.142,  -0.135)  ( 0.03,  0.04,  0.00)
181:     torsion ( -1.335,   1.208, -14.366)  ( -1.335,   1.208, -14.361)  ( 0.00,  0.00,  0.04)
181:     oop     (  0.031,  -0.028,   0.331)  (  0.026,  -0.023,   0.275)  ( 0.02,  0.01,  1.85)
181:     vdw     (  1.844,  -3.571,  -0.344)  (  1.844,  -3.571,  -0.344)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 46       (-28.919, -53.589, -18.437)  (-28.911, -53.576, -18.487)  ( 0.02,  0.02,  0.27)
181:     bond    (-13.365,  -4.730,   1.249)  (-13.352,  -4.729,   1.249)  ( 0.10,  0.04,  0.01)
181:     angle   (-15.396,  44.841,   5.200)  (-15.395,  44.844,   5.200)  ( 0.00,  0.01,  0.00)
181:     torsion ( -0.655,   0.154,  -6.424)  ( -0.655,   0.154,  -6.419)  ( 0.00,  0.00,  0.08)
181:     oop     (  0.042,  -0.025,   0.355)  (  0.036,  -0.022,   0.301)  ( 0.03,  0.01,  1.93)
181:     vdw     (  0.455, -93.828, -18.818)  (  0.455, -93.825, -18.818)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 47       (-26.566,  25.212, -28.839)  (-26.560,  25.217, -28.827)  ( 0.02,  0.02,  0.04)
181:     bond    (-11.055,  -3.483, -22.909)  (-11.053,  -3.483, -22.898)  ( 0.02,  0.00,  0.05)
181:     angle   ( -7.141,   8.375,   2.171)  ( -7.139,   8.379,   2.171)  ( 0.04,  0.04,  0.03)
181:     torsion ( -7.520,  25.795,  -0.294)  ( -7.519,  25.796,  -0.294)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.850,  -5.475,  -7.806)  ( -0.850,  -5.475,  -7.806)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 48       (-24.351, -25.990,   1.795)  (-24.340, -25.984,   1.798)  ( 0.05,  0.02,  0.15)
181:     bond    (-45.915, -22.615,  -5.946)  (-45.904, -22.612,  -5.946)  ( 0.02,  0.01,  0.00)
181:     angle   ( 15.706, -30.909,  -3.723)  ( 15.707, -30.907,  -3.721)  ( 0.00,  0.01,  0.06)
181:     torsion (  6.875, -19.736,  21.983)  (  6.875, -19.736,  21.983)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.017,  47.271, -10.519)  ( -1.016,  47.272, -10.519)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 49       ( 36.796,  11.520,  38.836)  ( 36.800,  11.522,  38.849)  ( 0.01,  0.02,  0.03)
181:     bond    ( 11.190,  -1.507,  41.064)  ( 11.191,  -1.507,  41.077)  ( 0.01,  0.01,  0.03)
181:     angle   ( 17.459, -15.585,  -5.329)  ( 17.462, -15.583,  -5.329)  ( 0.01,  0.01,  0.00)
181:     torsion ( 12.306,  23.863,  -2.477)  ( 12.306,  23.864,  -2.477)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.159,   4.748,   5.578)  ( -4.159,   4.748,   5.579)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 50       (-29.076,  33.154, -18.847)  (-29.072,  33.167, -18.843)  ( 0.01,  0.04,  0.02)
181:     bond    ( -5.456,  33.426,  -8.494)  ( -5.455,  33.439,  -8.494)  ( 0.00,  0.04,  0.01)
181:     angle   ( 32.312,   2.037, -12.737)  ( 32.315,   2.037, -12.735)  ( 0.01,  0.01,  0.02)
181:     torsion (-18.145,  -7.077, -16.210)  (-18.144,  -7.077, -16.209)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-37.788,   4.768,  18.595)  (-37.787,   4.768,  18.595)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 51       (-10.073,  11.672, -43.302)  (-10.064,  11.676, -43.294)  ( 0.08,  0.04,  0.02)
181:     bond    ( 31.678, -13.145, -36.411)  ( 31.683, -13.145, -36.404)  ( 0.02,  0.01,  0.02)
181:     angle   ( -1.895, -34.657,  10.864)  ( -1.893, -34.655,  10.865)  ( 0.07,  0.01,  0.01)
181:     torsion (  7.134,  -5.604,   8.233)  (  7.135,  -5.604,   8.233)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-46.990,  65.079, -25.988)  (-46.989,  65.080, -25.988)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 52       (-13.218,  31.397, -25.916)  (-13.213,  31.408, -25.912)  ( 0.04,  0.04,  0.01)
181:     bond    (-13.699,  29.311, -10.293)  (-13.697,  29.322, -10.292)  ( 0.02,  0.04,  0.01)
181:     angle   (-26.614,  -9.753,   7.628)  (-26.611,  -9.752,   7.630)  ( 0.01,  0.01,  0.02)
181:     torsion (  0.561,  -1.856,  -6.034)  (  0.561,  -1.856,  -6.034)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 26.533,  13.695, -17.217)  ( 26.534,  13.695, -17.217)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 53       (  4.736,  13.131,  39.313)  (  4.742,  13.134,  39.324)  ( 0.12,  0.03,  0.03)
181:     bond    ( 21.570,   8.503,  35.884)  ( 21.574,   8.504,  35.894)  ( 0.02,  0.00,  0.03)
181:     angle   ( -3.708, -26.999,   8.623)  ( -3.707, -26.997,   8.624)  ( 0.04,  0.01,  0.01)
181:     torsion ( -2.608,   2.873,   0.887)  ( -2.608,   2.873,   0.887)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.518,  28.753,  -6.080)  (-10.518,  28.754,  -6.080)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 54       ( 72.754,   0.873, -14.533)  ( 72.760,   0.880, -14.521)  ( 0.01,  0.58,  0.08)
181:     bond    (  1.977,  20.116, -45.686)  (  1.977,  20.119, -45.674)  ( 0.01,  0.01,  0.03)
181:     angle   ( 13.749,  30.884,  14.200)  ( 13.753,  30.886,  14.200)  ( 0.03,  0.01,  0.00)
181:     torsion (  2.619,   9.092,   4.119)  (  2.620,   9.093,   4.119)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 54.409, -59.219,  12.834)  ( 54.410, -59.218,  12.834)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 55       ( 43.347,  21.559,  39.370)  ( 43.352,  21.568,  39.378)  ( 0.01,  0.04,  0.02)
181:     bond    ( -2.040,  32.043,  31.725)  ( -2.040,  32.050,  31.732)  ( 0.01,  0.02,  0.02)
181:     angle   ( 35.192,  14.594, -12.480)  ( 35.196,  14.595, -12.479)  ( 0.01,  0.01,  0.01)
181:     torsion ( -0.882,  -8.652,   8.681)  ( -0.882,  -8.651,   8.681)  ( 0.02,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 11.077, -16.427,  11.443)  ( 11.078, -16.426,  11.443)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 56       ( 20.739, -16.581,  38.050)  ( 20.744, -16.575,  38.062)  ( 0.02,  0.04,  0.03)
181:     bond    ( -1.456, -14.668,  26.526)  ( -1.456, -14.665,  26.536)  ( 0.01,  0.02,  0.04)
181:     angle   ( -7.505,  -1.343,  -1.153)  ( -7.502,  -1.341,  -1.153)  ( 0.04,  0.13,  0.05)
181:     torsion ( 12.012,  -6.112,  -2.718)  ( 12.012,  -6.111,  -2.718)  ( 0.00,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 17.689,   5.542,  15.396)  ( 17.690,   5.543,  15.396)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 57       ( -9.513, -10.340, -51.789)  ( -9.509, -10.332, -51.780)  ( 0.05,  0.08,  0.02)
181:     bond    (  1.529, -22.811, -24.383)  (  1.529, -22.804, -24.376)  ( 0.01,  0.03,  0.03)
181:     angle   (  2.795,   3.734,  -3.320)  (  2.799,   3.735,  -3.319)  ( 0.12,  0.03,  0.03)
181:     torsion (-11.027,  11.386, -11.344)  (-11.027,  11.386, -11.344)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.810,  -2.650, -12.741)  ( -2.809,  -2.649, -12.741)  ( 0.04,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 58       (  7.764,  -8.888, -82.637)  (  7.767,  -8.880, -82.625)  ( 0.04,  0.09,  0.01)
181:     bond    (  0.583,  21.754, -28.028)  (  0.582,  21.759, -28.020)  ( 0.01,  0.02,  0.03)
181:     angle   ( -6.302,  -6.960,  -5.535)  ( -6.299,  -6.957,  -5.534)  ( 0.05,  0.03,  0.03)
181:     torsion ( 11.584,  -9.359,  -7.027)  ( 11.585,  -9.359,  -7.027)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.899, -14.323, -42.046)  (  1.899, -14.323, -42.045)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 59       ( 15.771, -54.382,  11.456)  ( 15.776, -54.374,  11.464)  ( 0.03,  0.01,  0.07)
181:     bond    ( -2.380, -21.430,  23.359)  ( -2.380, -21.424,  23.366)  ( 0.00,  0.03,  0.03)
181:     angle   ( -0.520,   6.883,   6.258)  ( -0.517,   6.884,   6.259)  ( 0.17,  0.02,  0.02)
181:     torsion ( 20.490, -19.643, -15.922)  ( 20.490, -19.642, -15.922)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.819, -20.193,  -2.239)  ( -1.818, -20.192,  -2.239)  ( 0.05,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 60       (-20.601,  -1.270, -45.454)  (-20.596,  -1.265, -45.443)  ( 0.02,  0.41,  0.02)
181:     bond    ( -2.300, -15.456, -26.859)  ( -2.300, -15.452, -26.849)  ( 0.00,  0.02,  0.04)
181:     angle   ( 20.424,  -0.699,  -1.349)  ( 20.427,  -0.698,  -1.348)  ( 0.02,  0.12,  0.04)
181:     torsion (-15.240,  28.309, -14.988)  (-15.239,  28.309, -14.987)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-23.486, -13.424,  -2.259)  (-23.484, -13.424,  -2.259)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 61       (-36.188,  29.042, -85.024)  (-36.183,  29.055, -85.019)  ( 0.01,  0.04,  0.01)
181:     bond    ( -2.350,  35.403, -10.280)  ( -2.350,  35.416, -10.279)  ( 0.00,  0.04,  0.01)
181:     angle   ( -5.201,  -7.746, -25.504)  ( -5.198,  -7.746, -25.500)  ( 0.06,  0.00,  0.01)
181:     torsion (-15.969, -16.076, -51.740)  (-15.969, -16.077, -51.740)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-12.668,  17.462,   2.500)  (-12.667,  17.462,   2.500)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 62       (-15.019, -62.910, -10.944)  (-15.015, -62.898, -10.940)  ( 0.03,  0.02,  0.04)
181:     bond    (  9.749, -31.825,  15.219)  (  9.750, -31.815,  15.221)  ( 0.01,  0.03,  0.01)
181:     angle   ( -8.627,   5.965,  17.990)  ( -8.625,   5.965,  17.993)  ( 0.03,  0.01,  0.01)
181:     torsion (-15.181, -21.195, -34.574)  (-15.181, -21.194, -34.575)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.960, -15.855,  -9.579)  ( -0.960, -15.854,  -9.579)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 63       (-28.471,  30.602, -47.591)  (-28.466,  30.605, -47.578)  ( 0.02,  0.01,  0.03)
181:     bond    (-13.150,  -6.799, -35.271)  (-13.148,  -6.799, -35.260)  ( 0.01,  0.00,  0.03)
181:     angle   (-17.889,  11.898,   4.374)  (-17.886,  11.901,   4.375)  ( 0.01,  0.02,  0.01)
181:     torsion ( -4.815,  38.873,  -5.700)  ( -4.815,  38.873,  -5.700)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.383, -13.370, -10.993)  (  7.384, -13.369, -10.993)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 64       ( 12.189,  96.663, -26.883)  ( 12.188,  96.685, -26.877)  ( 0.00,  0.02,  0.02)
181:     bond    (  8.251,  84.539, -22.501)  (  8.251,  84.561, -22.500)  ( 0.00,  0.03,  0.00)
181:     angle   (  2.144, -11.923, -44.028)  (  2.144, -11.923, -44.025)  ( 0.00,  0.00,  0.01)
181:     torsion (  0.474,  -0.037,   0.033)  (  0.474,  -0.037,   0.033)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.319,  24.085,  39.613)  (  1.319,  24.085,  39.614)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 65       (-284.611,  11.023, 333.937)  (-284.581,  11.023, 333.948)  ( 0.01,  0.00,  0.00)
181:     bond    (  9.512,   1.540,  -0.214)  (  9.534,   1.541,  -0.214)  ( 0.24,  0.04,  0.00)
181:     angle   ( -0.345,   0.715, -10.236)  ( -0.345,   0.715, -10.232)  ( 0.00,  0.00,  0.04)
181:     torsion ( -0.025,   0.154,   0.012)  ( -0.025,   0.154,   0.012)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-293.753,   8.613, 344.376)  (-293.745,   8.613, 344.383)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 14 # gradients 
181: ok 15 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (301.772, 181.352,  45.300)  (301.694, 180.986,  45.998)  ( 0.03,  0.20,  1.54)
181:     bond    ( -1.833,  -0.557,  -0.639)  ( -1.799,  -0.537,  -0.631)  ( 1.87,  1.12,  0.49)
181:     angle   (290.509, 137.927, 119.299)  (290.523, 137.938, 119.304)  ( 0.00,  0.01,  0.00)
181:     torsion ( 12.278,  42.204, -69.671)  ( 12.279,  42.210, -69.655)  ( 0.00,  0.01,  0.02)
181:     oop     (  0.666,   2.233,  -3.691)  (  0.540,   1.829,  -3.022)  ( 8.41, 18.09, 18.14)
181:     vdw     (  0.152,  -0.454,   0.002)  (  0.152,  -0.454,   0.002)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-247.311, -31.248,  77.114)  (-247.151, -30.869,  76.570)  ( 0.06,  1.21,  0.70)
181:     bond    (  2.768,   2.470,   2.169)  (  2.795,   2.489,   2.176)  ( 0.97,  0.79,  0.33)
181:     angle   (-228.121,  23.105, -12.124)  (-228.109,  23.115, -12.121)  ( 0.01,  0.04,  0.03)
181:     torsion (-18.738, -51.579,  86.865)  (-18.737, -51.574,  86.881)  ( 0.00,  0.01,  0.02)
181:     oop     ( -0.643,  -1.871,   3.129)  ( -0.523,  -1.527,   2.559)  ( 7.71, 18.39, 18.22)
181:     vdw     ( -2.578,  -3.373,  -2.925)  ( -2.577,  -3.373,  -2.925)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       ( 53.994, 107.586, -72.680)  ( 53.960, 107.403, -72.295)  ( 0.06,  0.17,  0.53)
181:     bond    (  4.664,  -1.988,  -0.584)  (  4.689,  -1.967,  -0.575)  ( 0.53,  1.05,  0.52)
181:     angle   ( 30.408,  40.045,  38.844)  ( 30.422,  40.056,  38.849)  ( 0.05,  0.03,  0.01)
181:     torsion ( 23.917,  67.645, -110.408)  ( 23.918,  67.650, -110.396)  ( 0.00,  0.01,  0.01)
181:     oop     (  0.405,   1.150,  -1.877)  (  0.331,   0.931,  -1.519)  ( 3.03, 19.03, 19.05)
181:     vdw     ( -5.400,   0.733,   1.346)  ( -5.400,   0.733,   1.346)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (-219.542, -42.542, -106.540)  (-219.533, -42.595, -106.018)  ( 0.00,  0.13,  0.49)
181:     bond    (  9.694,   0.197,   1.892)  (  9.728,   0.218,   1.902)  ( 0.34,  0.41,  0.51)
181:     angle   (-225.909, -61.230, -28.678)  (-225.892, -61.214, -28.674)  ( 0.01,  0.03,  0.01)
181:     torsion (  5.825,  17.750, -74.597)  (  5.826,  17.757, -74.582)  ( 0.01,  0.04,  0.02)
181:     oop     (  0.187,   0.512,  -1.976)  (  0.145,   0.414,  -1.483)  ( 0.77,  4.98, 24.96)
181:     vdw     ( -9.340,   0.229,  -3.180)  ( -9.339,   0.229,  -3.180)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-103.988, -378.716, -28.757)  (-103.811, -378.276, -29.357)  ( 0.17,  0.12,  2.09)
181:     bond    (  5.906,  -1.531,   0.403)  (  5.943,  -1.502,   0.415)  ( 0.63,  1.85,  0.49)
181:     angle   (-74.604, -284.643, -178.344)  (-74.592, -284.628, -178.339)  ( 0.02,  0.01,  0.00)
181:     torsion (-28.510, -93.641, 147.850)  (-28.509, -93.635, 147.866)  ( 0.00,  0.01,  0.01)
181:     oop     ( -0.683,  -2.271,   3.669)  ( -0.556,  -1.881,   3.036)  ( 8.64, 17.19, 17.27)
181:     vdw     ( -6.097,   3.370,  -2.335)  ( -6.097,   3.371,  -2.335)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (234.949,  78.410, 194.466)  (235.045,  78.340, 193.137)  ( 0.04,  0.09,  0.68)
181:     bond    (-10.131,  -0.808,   0.668)  (-10.097,  -0.779,   0.668)  ( 0.34,  2.32,  0.03)
181:     angle   (234.241,  52.030,  46.614)  (234.258,  52.048,  46.615)  ( 0.01,  0.04,  0.00)
181:     torsion (  0.764,  25.463, 141.630)  (  0.765,  25.465, 141.650)  ( 0.02,  0.01,  0.01)
181:     oop     ( -0.150,   0.547,   6.594)  ( -0.106,   0.427,   5.244)  ( 0.65,  6.52, 20.47)
181:     vdw     ( 10.225,   1.178,  -1.039)  ( 10.225,   1.178,  -1.039)  ( 0.00,  0.02,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (103.309, 319.286, -232.860)  (103.306, 319.605, -231.042)  ( 0.00,  0.10,  0.78)
181:     bond    ( -5.496,   0.840,  -0.583)  ( -5.457,   0.878,  -0.582)  ( 0.70,  3.22,  0.04)
181:     angle   ( 99.415, 352.868, -36.595)  ( 99.427, 352.888, -36.595)  ( 0.01,  0.01,  0.00)
181:     torsion (  2.400, -30.742, -183.519)  (  2.401, -30.741, -183.498)  ( 0.01,  0.00,  0.01)
181:     oop     (  0.033,  -1.277,  -9.904)  ( -0.021,  -1.017,  -8.109)  ( 0.18, 20.38, 18.12)
181:     vdw     (  6.957,  -2.403,  -2.258)  (  6.957,  -2.403,  -2.258)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (-313.516, -162.733, 107.280)  (-313.485, -162.746, 106.724)  ( 0.01,  0.01,  0.52)
181:     bond    (  1.436,   0.669,  -0.084)  (  1.470,   0.696,  -0.084)  ( 2.43,  1.81,  0.00)
181:     angle   (-316.967, -170.821,  23.120)  (-316.952, -170.805,  23.121)  ( 0.00,  0.01,  0.00)
181:     torsion (  2.083,   6.673,  80.649)  (  2.083,   6.673,  80.671)  ( 0.00,  0.00,  0.03)
181:     oop     (  0.128,   0.337,   3.437)  (  0.110,   0.281,   2.859)  ( 0.23,  1.88, 16.84)
181:     vdw     ( -0.195,   0.410,   0.157)  ( -0.195,   0.410,   0.157)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (239.221, -18.397,  66.490)  (239.245, -18.405,  66.061)  ( 0.01,  0.05,  0.65)
181:     bond    ( -2.872,  -3.159,   0.473)  ( -2.844,  -3.133,   0.474)  ( 0.96,  0.82,  0.01)
181:     angle   (236.450, -26.016,   1.239)  (236.462, -26.003,   1.239)  ( 0.01,  0.05,  0.03)
181:     torsion (  2.401,   6.602,  63.163)  (  2.401,   6.602,  63.184)  ( 0.00,  0.00,  0.03)
181:     oop     (  0.090,   0.271,   2.597)  (  0.073,   0.223,   2.146)  ( 0.15,  1.31, 17.36)
181:     vdw     (  3.153,   3.905,  -0.983)  (  3.153,   3.905,  -0.983)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (-58.372, -59.689, -117.312)  (-58.318, -59.555, -116.461)  ( 0.09,  0.22,  0.72)
181:     bond    ( -4.647,   1.930,  -0.560)  ( -4.622,   1.958,  -0.559)  ( 0.55,  1.48,  0.03)
181:     angle   (-52.538, -44.247,  17.989)  (-52.523, -44.233,  17.990)  ( 0.03,  0.03,  0.01)
181:     torsion ( -6.022, -15.499, -132.273)  ( -6.022, -15.498, -132.259)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.077,  -0.470,  -4.290)  ( -0.064,  -0.379,  -3.455)  ( 0.10,  4.29, 19.46)
181:     vdw     (  4.912,  -1.402,   1.822)  (  4.913,  -1.402,   1.822)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (-151.248, -155.360,  -2.039)  (-151.224, -155.355,  -2.266)  ( 0.02,  0.00, 11.15)
181:     bond    (  0.883,   8.752,  -1.624)  (  0.901,   8.774,  -1.606)  ( 1.55,  0.24,  1.12)
181:     angle   (-164.678, -149.716,  -0.681)  (-164.668, -149.706,  -0.675)  ( 0.01,  0.01,  0.40)
181:     torsion ( 10.920,  -5.505,  -3.117)  ( 10.918,  -5.505,  -3.116)  ( 0.01,  0.01,  0.03)
181:     oop     (  0.013,   0.092,   0.954)  (  0.011,   0.067,   0.702)  ( 0.00,  0.23, 24.07)
181:     vdw     (  1.614,  -8.984,   2.429)  (  1.614,  -8.984,   2.429)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       ( 13.751, -24.647, -39.803)  ( 13.766, -24.624, -39.582)  ( 0.11,  0.09,  0.56)
181:     bond    ( -0.858,  -0.484,   0.045)  ( -0.847,  -0.480,   0.045)  ( 0.97,  0.18,  0.00)
181:     angle   ( 11.796, -20.447,   3.862)  ( 11.797, -20.444,   3.862)  ( 0.01,  0.02,  0.01)
181:     torsion ( -0.709,  -2.781, -43.150)  ( -0.709,  -2.781, -43.144)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.009,  -0.053,  -0.741)  ( -0.007,  -0.037,  -0.525)  ( 0.00,  0.09, 15.98)
181:     vdw     (  3.531,  -0.882,   0.180)  (  3.531,  -0.882,   0.180)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (-34.984, -37.445,  -8.191)  (-34.968, -37.411,  -7.953)  ( 0.05,  0.09,  2.90)
181:     bond    ( -2.120,   1.944,  -0.158)  ( -2.112,   1.950,  -0.158)  ( 0.38,  0.35,  0.00)
181:     angle   (-35.398, -37.804,   6.546)  (-35.397, -37.802,   6.545)  ( 0.00,  0.01,  0.00)
181:     torsion ( -0.309,  -1.427, -13.490)  ( -0.309,  -1.427, -13.484)  ( 0.00,  0.01,  0.04)
181:     oop     ( -0.021,  -0.100,  -0.952)  ( -0.015,  -0.075,  -0.719)  ( 0.01,  0.25, 22.11)
181:     vdw     (  2.865,  -0.058,  -0.137)  (  2.865,  -0.058,  -0.137)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       (166.639, 130.450,  95.534)  (166.694, 130.564,  95.423)  ( 0.03,  0.09,  0.12)
181:     bond    ( -0.427,  -7.502,  -4.745)  ( -0.410,  -7.481,  -4.726)  ( 0.73,  0.28,  0.40)
181:     angle   (171.435, 135.443,  86.513)  (171.445, 135.451,  86.520)  ( 0.01,  0.01,  0.01)
181:     torsion ( -1.753,  -4.467,   7.534)  ( -1.753,  -4.466,   7.537)  ( 0.01,  0.02,  0.03)
181:     oop     ( -0.107,  -0.320,   0.527)  ( -0.079,  -0.235,   0.388)  ( 0.30,  2.71,  7.32)
181:     vdw     ( -2.509,   7.296,   5.704)  ( -2.508,   7.296,   5.704)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       (-13.714,  13.703,  11.933)  (-13.644,  13.889,  11.645)  ( 0.51,  1.35,  2.42)
181:     bond    (  0.886,   0.415,   0.424)  (  0.896,   0.417,   0.427)  ( 0.92,  0.09,  0.10)
181:     angle   (-10.001,  17.493,   3.901)  ( -9.999,  17.496,   3.901)  ( 0.01,  0.01,  0.01)
181:     torsion ( -1.208,  -4.254,   6.691)  ( -1.207,  -4.253,   6.695)  ( 0.01,  0.04,  0.07)
181:     oop     ( -0.196,  -0.624,   1.022)  ( -0.139,  -0.445,   0.726)  ( 1.13, 11.17, 28.95)
181:     vdw     ( -3.195,   0.674,  -0.104)  ( -3.195,   0.674,  -0.104)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       ( 32.568,  31.600,  21.423)  ( 32.536,  31.483,  21.634)  ( 0.10,  0.37,  0.98)
181:     bond    (  2.020,  -1.650,  -0.589)  (  2.029,  -1.644,  -0.588)  ( 0.43,  0.34,  0.04)
181:     angle   ( 32.320,  30.184,  27.103)  ( 32.321,  30.186,  27.104)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.868,   2.390,  -3.694)  (  0.868,   2.391,  -3.690)  ( 0.01,  0.06,  0.11)
181:     oop     (  0.170,   0.510,  -0.839)  (  0.128,   0.384,  -0.634)  ( 0.72,  6.42, 17.23)
181:     vdw     ( -2.810,   0.165,  -0.558)  ( -2.810,   0.166,  -0.558)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       ( 83.517,  16.992, -11.075)  ( 83.468,  16.852, -10.802)  ( 0.06,  0.82,  2.46)
181:     bond    ( -0.553,   4.541,   2.614)  ( -0.553,   4.557,   2.619)  ( 0.01,  0.36,  0.21)
181:     angle   ( 82.083,  -0.222,  17.717)  ( 82.087,  -0.222,  17.717)  ( 0.01,  0.00,  0.00)
181:     torsion (  5.269,  15.175, -25.296)  (  5.270,  15.177, -25.292)  ( 0.00,  0.01,  0.02)
181:     oop     (  0.230,   0.713,  -1.192)  (  0.176,   0.555,  -0.929)  ( 1.25, 11.24, 22.05)
181:     vdw     ( -3.512,  -3.215,  -4.917)  ( -3.512,  -3.215,  -4.917)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (-90.967,  16.173, 118.304)  (-90.929,  16.057, 117.521)  ( 0.04,  0.72,  0.66)
181:     bond    (  0.210,  -4.745,   0.834)  (  0.210,  -4.724,   0.834)  ( 0.00,  0.45,  0.06)
181:     angle   (-93.772,  -4.843,  -3.809)  (-93.768,  -4.843,  -3.809)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.467,  21.186, 120.314)  ( -1.467,  21.186, 120.320)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.035,   0.621,   3.525)  ( -0.002,   0.483,   2.736)  ( 0.12,  8.56, 22.38)
181:     vdw     (  4.097,   3.955,  -2.560)  (  4.097,   3.955,  -2.560)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       (-87.215, -43.200, -51.128)  (-87.208, -43.194, -51.123)  ( 0.01,  0.01,  0.01)
181:     bond    ( -0.306,   0.292,   0.237)  ( -0.301,   0.298,   0.240)  ( 0.16,  0.15,  0.08)
181:     angle   (-88.178, -61.843, -33.686)  (-88.176, -61.842, -33.684)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.338,  15.260, -20.588)  ( -1.338,  15.260, -20.588)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.607,   3.090,   2.908)  (  2.607,   3.090,   2.908)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       (-27.197, -58.402,  -2.711)  (-27.190, -58.398,  -2.703)  ( 0.02,  0.01,  0.29)
181:     bond    ( -1.957,   0.921,  -2.164)  ( -1.952,   0.923,  -2.157)  ( 0.29,  0.12,  0.32)
181:     angle   ( -7.421, -59.431, -18.712)  ( -7.420, -59.428, -18.711)  ( 0.01,  0.00,  0.00)
181:     torsion (-18.345,  -1.997,  15.745)  (-18.345,  -1.997,  15.745)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.527,   2.104,   2.420)  (  0.527,   2.104,   2.420)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       ( 11.122, -50.089, -42.997)  ( 11.128, -50.082, -42.990)  ( 0.05,  0.01,  0.02)
181:     bond    ( -1.164,  -1.398,   1.214)  ( -1.160,  -1.393,   1.218)  ( 0.34,  0.40,  0.36)
181:     angle   ( -6.372, -37.992, -49.495)  ( -6.370, -37.991, -49.493)  ( 0.02,  0.00,  0.00)
181:     torsion ( 19.921, -12.925,   4.198)  ( 19.921, -12.925,   4.198)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.263,   2.227,   1.086)  ( -1.263,   2.227,   1.086)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       ( -0.246,  86.674,  -3.924)  ( -0.234,  86.677,  -3.920)  ( 0.28,  0.00,  0.10)
181:     bond    (  2.839,   0.011,  -1.453)  (  2.850,   0.011,  -1.450)  ( 0.39,  0.00,  0.20)
181:     angle   ( -1.405,  90.865,  -2.095)  ( -1.405,  90.868,  -2.094)  ( 0.03,  0.00,  0.07)
181:     torsion ( -1.193,   0.324,  -2.342)  ( -1.193,   0.324,  -2.343)  ( 0.01,  0.00,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.486,  -4.526,   1.966)  ( -0.486,  -4.526,   1.966)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       ( 29.339,  28.487, -18.032)  ( 29.341,  28.492, -18.020)  ( 0.01,  0.02,  0.07)
181:     bond    (  0.383,   0.838,   1.790)  (  0.383,   0.841,   1.801)  ( 0.02,  0.20,  0.61)
181:     angle   ( 32.234,  27.224, -19.575)  ( 32.235,  27.226, -19.574)  ( 0.01,  0.01,  0.00)
181:     torsion ( -2.678,   1.270,  -0.022)  ( -2.679,   1.269,  -0.022)  ( 0.02,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.599,  -0.845,  -0.224)  ( -0.599,  -0.845,  -0.224)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       ( 77.507,  51.153,  -0.184)  ( 77.512,  51.160,  -0.179)  ( 0.01,  0.01,  0.09)
181:     bond    (  0.256,  -0.376,   0.294)  (  0.259,  -0.370,   0.298)  ( 0.08,  0.24,  0.12)
181:     angle   ( 84.291,  51.889,  -9.001)  ( 84.293,  51.890,  -9.000)  ( 0.00,  0.00,  0.01)
181:     torsion ( -4.380,   2.836,   7.322)  ( -4.381,   2.836,   7.322)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.659,  -3.197,   1.201)  ( -2.659,  -3.197,   1.201)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 16 # gradients 
181: ok 17 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (298.150,  97.504, -27.328)  (298.201,  97.544, -27.307)  ( 0.02,  0.04,  0.08)
181:     bond    (270.148,  57.230, -74.029)  (270.176,  57.253, -74.018)  ( 0.01,  0.04,  0.01)
181:     angle   ( -0.641,   0.285,  -0.163)  ( -0.629,   0.299,  -0.154)  ( 0.77,  0.40,  0.14)
181:     torsion ( -0.291,   0.285,   0.476)  ( -0.286,   0.290,   0.487)  ( 0.15,  0.15,  0.51)
181:     oop     ( -0.005,   0.008,   0.016)  (  0.000,   0.003,   0.007)  ( 0.00,  0.00,  0.01)
181:     vdw     ( 28.939,  39.697,  46.371)  ( 28.940,  39.698,  46.372)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       ( -0.049, 281.242, -143.091)  ( -0.000, 281.292, -143.058)  ( 0.24,  0.02,  0.02)
181:     bond    ( -0.026, 223.722, -177.596)  (  0.000, 223.752, -177.591)  ( 0.07,  0.01,  0.00)
181:     angle   ( -0.016,   0.102,  -0.415)  ( -0.000,   0.115,  -0.410)  ( 0.03,  0.14,  0.23)
181:     torsion ( -0.005,  -0.107,  -0.352)  (  0.000,  -0.104,  -0.338)  ( 0.00,  0.03,  0.48)
181:     oop     ( -0.000,  -0.006,  -0.013)  (  0.000,  -0.004,  -0.005)  ( 0.00,  0.00,  0.01)
181:     vdw     ( -0.002,  57.531,  35.285)  ( -0.000,  57.532,  35.285)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       ( -0.049, -281.337, -143.091)  ( -0.000, -281.292, -143.058)  ( 0.24,  0.02,  0.02)
181:     bond    ( -0.026, -223.783, -177.596)  (  0.000, -223.752, -177.591)  ( 0.07,  0.01,  0.00)
181:     angle   ( -0.016,  -0.129,  -0.415)  ( -0.000,  -0.115,  -0.410)  ( 0.03,  0.17,  0.23)
181:     torsion ( -0.005,   0.101,  -0.352)  ( -0.000,   0.104,  -0.338)  ( 0.00,  0.03,  0.48)
181:     oop     ( -0.000,   0.006,  -0.013)  (  0.000,   0.004,  -0.005)  ( 0.00,  0.00,  0.01)
181:     vdw     ( -0.002, -57.533,  35.285)  ( -0.000, -57.532,  35.285)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (298.150, -97.594, -27.328)  (298.201, -97.544, -27.307)  ( 0.02,  0.05,  0.08)
181:     bond    (270.148, -57.277, -74.029)  (270.176, -57.253, -74.018)  ( 0.01,  0.04,  0.01)
181:     angle   ( -0.641,  -0.313,  -0.163)  ( -0.629,  -0.299,  -0.154)  ( 0.77,  0.44,  0.14)
181:     torsion ( -0.291,  -0.295,   0.476)  ( -0.286,  -0.290,   0.487)  ( 0.15,  0.16,  0.51)
181:     oop     ( -0.005,  -0.008,   0.016)  (  0.000,  -0.003,   0.007)  ( 0.00,  0.00,  0.01)
181:     vdw     ( 28.939, -39.700,  46.371)  ( 28.940, -39.698,  46.372)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-156.771, 186.884, -202.167)  (-156.738, 186.928, -202.126)  ( 0.02,  0.02,  0.02)
181:     bond    (-92.784, 168.051, -212.764)  (-92.764, 168.078, -212.748)  ( 0.02,  0.02,  0.01)
181:     angle   ( -0.061,   0.692,   0.134)  ( -0.050,   0.706,   0.143)  ( 0.07,  0.99,  0.12)
181:     torsion (  0.267,   0.221,  -0.320)  (  0.273,   0.226,  -0.310)  ( 0.16,  0.11,  0.32)
181:     oop     (  0.007,   0.003,  -0.009)  (  0.003,  -0.001,  -0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     (-64.201,  17.918,  10.792)  (-64.200,  17.919,  10.792)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (-156.771, -186.980, -202.167)  (-156.738, -186.928, -202.126)  ( 0.02,  0.03,  0.02)
181:     bond    (-92.784, -168.105, -212.764)  (-92.764, -168.078, -212.748)  ( 0.02,  0.02,  0.01)
181:     angle   ( -0.061,  -0.721,   0.134)  ( -0.050,  -0.706,   0.143)  ( 0.07,  1.04,  0.12)
181:     torsion (  0.267,  -0.231,  -0.320)  (  0.273,  -0.226,  -0.310)  ( 0.16,  0.12,  0.32)
181:     oop     (  0.007,  -0.003,  -0.009)  (  0.003,   0.001,  -0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     (-64.201, -17.920,  10.792)  (-64.200, -17.919,  10.792)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (-298.242,  97.504, -27.328)  (-298.201,  97.544, -27.307)  ( 0.01,  0.04,  0.08)
181:     bond    (-270.205,  57.230, -74.029)  (-270.176,  57.253, -74.018)  ( 0.01,  0.04,  0.01)
181:     angle   (  0.617,   0.285,  -0.163)  (  0.629,   0.299,  -0.154)  ( 0.74,  0.40,  0.14)
181:     torsion (  0.281,   0.285,   0.476)  (  0.286,   0.290,   0.487)  ( 0.14,  0.15,  0.51)
181:     oop     (  0.005,   0.008,   0.016)  ( -0.000,   0.003,   0.007)  ( 0.00,  0.00,  0.01)
181:     vdw     (-28.940,  39.697,  46.371)  (-28.940,  39.698,  46.372)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (-298.242, -97.594, -27.328)  (-298.201, -97.544, -27.307)  ( 0.01,  0.05,  0.08)
181:     bond    (-270.205, -57.277, -74.029)  (-270.176, -57.253, -74.018)  ( 0.01,  0.04,  0.01)
181:     angle   (  0.617,  -0.313,  -0.163)  (  0.629,  -0.299,  -0.154)  ( 0.74,  0.44,  0.14)
181:     torsion (  0.281,  -0.295,   0.476)  (  0.286,  -0.290,   0.487)  ( 0.14,  0.16,  0.51)
181:     oop     (  0.005,  -0.008,   0.016)  ( -0.000,  -0.003,   0.007)  ( 0.00,  0.00,  0.01)
181:     vdw     (-28.940, -39.700,  46.371)  (-28.940, -39.698,  46.372)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (186.884, 202.096, 156.695)  (186.928, 202.126, 156.738)  ( 0.02,  0.02,  0.03)
181:     bond    (168.051, 212.732,  92.745)  (168.078, 212.748,  92.764)  ( 0.02,  0.01,  0.02)
181:     angle   (  0.692,  -0.152,   0.038)  (  0.706,  -0.143,   0.050)  ( 0.99,  0.14,  0.04)
181:     torsion (  0.221,   0.300,  -0.279)  (  0.226,   0.310,  -0.273)  ( 0.11,  0.30,  0.17)
181:     oop     (  0.003,   0.008,  -0.008)  ( -0.001,   0.003,  -0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 17.918, -10.793,  64.199)  ( 17.919, -10.792,  64.200)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       ( 27.266, 298.150,  97.504)  ( 27.307, 298.201,  97.544)  ( 0.15,  0.02,  0.04)
181:     bond    ( 74.008, 270.148,  57.230)  ( 74.018, 270.176,  57.253)  ( 0.01,  0.01,  0.04)
181:     angle   (  0.145,  -0.641,   0.285)  (  0.154,  -0.629,   0.299)  ( 0.13,  0.77,  0.40)
181:     torsion ( -0.498,  -0.291,   0.285)  ( -0.487,  -0.286,   0.290)  ( 0.53,  0.15,  0.15)
181:     oop     ( -0.016,  -0.005,   0.008)  ( -0.007,   0.000,   0.003)  ( 0.02,  0.00,  0.00)
181:     vdw     (-46.373,  28.939,  39.697)  (-46.372,  28.940,  39.698)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       ( 27.266, -298.242,  97.504)  ( 27.307, -298.201,  97.544)  ( 0.15,  0.01,  0.04)
181:     bond    ( 74.008, -270.205,  57.230)  ( 74.018, -270.176,  57.253)  ( 0.01,  0.01,  0.04)
181:     angle   (  0.145,   0.617,   0.285)  (  0.154,   0.629,   0.299)  ( 0.13,  0.74,  0.40)
181:     torsion ( -0.498,   0.281,   0.285)  ( -0.487,   0.286,   0.290)  ( 0.53,  0.14,  0.15)
181:     oop     ( -0.016,   0.005,   0.008)  ( -0.007,  -0.000,   0.003)  ( 0.02,  0.00,  0.00)
181:     vdw     (-46.373, -28.940,  39.697)  (-46.372, -28.940,  39.698)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (186.884, -202.167, 156.695)  (186.928, -202.126, 156.738)  ( 0.02,  0.02,  0.03)
181:     bond    (168.051, -212.764,  92.745)  (168.078, -212.748,  92.764)  ( 0.02,  0.01,  0.02)
181:     angle   (  0.692,   0.134,   0.038)  (  0.706,   0.143,   0.050)  ( 0.99,  0.12,  0.04)
181:     torsion (  0.221,  -0.320,  -0.279)  (  0.226,  -0.310,  -0.273)  ( 0.11,  0.32,  0.17)
181:     oop     (  0.003,  -0.009,  -0.008)  ( -0.001,  -0.003,  -0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 17.918,  10.792,  64.199)  ( 17.919,  10.792,  64.200)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (202.096, -156.771, -186.980)  (202.126, -156.738, -186.928)  ( 0.02,  0.02,  0.03)
181:     bond    (212.732, -92.784, -168.105)  (212.748, -92.764, -168.078)  ( 0.01,  0.02,  0.02)
181:     angle   ( -0.152,  -0.061,  -0.721)  ( -0.143,  -0.050,  -0.706)  ( 0.14,  0.07,  1.04)
181:     torsion (  0.300,   0.267,  -0.231)  (  0.310,   0.273,  -0.226)  ( 0.30,  0.16,  0.12)
181:     oop     (  0.008,   0.007,  -0.003)  (  0.003,   0.003,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.793, -64.201, -17.920)  (-10.792, -64.200, -17.919)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       (-97.594,  27.266, -298.242)  (-97.544,  27.307, -298.201)  ( 0.05,  0.15,  0.01)
181:     bond    (-57.277,  74.008, -270.205)  (-57.253,  74.018, -270.176)  ( 0.04,  0.01,  0.01)
181:     angle   ( -0.313,   0.145,   0.617)  ( -0.299,   0.154,   0.629)  ( 0.44,  0.13,  0.74)
181:     torsion ( -0.295,  -0.498,   0.281)  ( -0.290,  -0.487,   0.286)  ( 0.16,  0.53,  0.14)
181:     oop     ( -0.008,  -0.016,   0.005)  ( -0.003,  -0.007,  -0.000)  ( 0.00,  0.02,  0.00)
181:     vdw     (-39.700, -46.373, -28.940)  (-39.698, -46.372, -28.940)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       (202.096, -156.771, 186.884)  (202.126, -156.738, 186.928)  ( 0.02,  0.02,  0.02)
181:     bond    (212.732, -92.784, 168.051)  (212.748, -92.764, 168.078)  ( 0.01,  0.02,  0.02)
181:     angle   ( -0.152,  -0.061,   0.692)  ( -0.143,  -0.050,   0.706)  ( 0.14,  0.07,  0.99)
181:     torsion (  0.300,   0.267,   0.221)  (  0.310,   0.273,   0.226)  ( 0.30,  0.16,  0.11)
181:     oop     (  0.008,   0.007,   0.003)  (  0.003,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.793, -64.201,  17.918)  (-10.792, -64.200,  17.919)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       (-281.337, 143.041,  -0.049)  (-281.292, 143.058,   0.000)  ( 0.02,  0.01,  0.24)
181:     bond    (-223.783, 177.585,  -0.026)  (-223.752, 177.591,   0.000)  ( 0.01,  0.00,  0.07)
181:     angle   ( -0.129,   0.404,  -0.016)  ( -0.115,   0.410,   0.000)  ( 0.17,  0.23,  0.03)
181:     torsion (  0.101,   0.325,  -0.005)  (  0.104,   0.338,  -0.000)  ( 0.03,  0.44,  0.00)
181:     oop     (  0.006,   0.012,  -0.000)  (  0.004,   0.005,   0.000)  ( 0.00,  0.01,  0.00)
181:     vdw     (-57.533, -35.285,  -0.002)  (-57.532, -35.285,  -0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       (156.695, -186.980, -202.167)  (156.738, -186.928, -202.126)  ( 0.03,  0.03,  0.02)
181:     bond    ( 92.745, -168.105, -212.764)  ( 92.764, -168.078, -212.748)  ( 0.02,  0.02,  0.01)
181:     angle   (  0.038,  -0.721,   0.134)  (  0.050,  -0.706,   0.143)  ( 0.04,  1.04,  0.12)
181:     torsion ( -0.279,  -0.231,  -0.320)  ( -0.273,  -0.226,  -0.310)  ( 0.17,  0.12,  0.32)
181:     oop     ( -0.008,  -0.003,  -0.009)  ( -0.003,   0.001,  -0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 64.199, -17.920,  10.792)  ( 64.200, -17.919,  10.792)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (-186.980, 202.096, 156.695)  (-186.928, 202.126, 156.738)  ( 0.03,  0.02,  0.03)
181:     bond    (-168.105, 212.732,  92.745)  (-168.078, 212.748,  92.764)  ( 0.02,  0.01,  0.02)
181:     angle   ( -0.721,  -0.152,   0.038)  ( -0.706,  -0.143,   0.050)  ( 1.04,  0.14,  0.04)
181:     torsion ( -0.231,   0.300,  -0.279)  ( -0.226,   0.310,  -0.273)  ( 0.12,  0.30,  0.17)
181:     oop     ( -0.003,   0.008,  -0.008)  (  0.001,   0.003,  -0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     (-17.920, -10.793,  64.199)  (-17.919, -10.792,  64.200)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       (-97.594,  27.266, 298.150)  (-97.544,  27.307, 298.201)  ( 0.05,  0.15,  0.02)
181:     bond    (-57.277,  74.008, 270.148)  (-57.253,  74.018, 270.176)  ( 0.04,  0.01,  0.01)
181:     angle   ( -0.313,   0.145,  -0.641)  ( -0.299,   0.154,  -0.629)  ( 0.44,  0.13,  0.77)
181:     torsion ( -0.295,  -0.498,  -0.291)  ( -0.290,  -0.487,  -0.286)  ( 0.16,  0.53,  0.15)
181:     oop     ( -0.008,  -0.016,  -0.005)  ( -0.003,  -0.007,   0.000)  ( 0.00,  0.02,  0.00)
181:     vdw     (-39.700, -46.373,  28.939)  (-39.698, -46.372,  28.940)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       ( 97.504,  27.266, -298.242)  ( 97.544,  27.307, -298.201)  ( 0.04,  0.15,  0.01)
181:     bond    ( 57.230,  74.008, -270.205)  ( 57.253,  74.018, -270.176)  ( 0.04,  0.01,  0.01)
181:     angle   (  0.285,   0.145,   0.617)  (  0.299,   0.154,   0.629)  ( 0.40,  0.13,  0.74)
181:     torsion (  0.285,  -0.498,   0.281)  (  0.290,  -0.487,   0.286)  ( 0.15,  0.53,  0.14)
181:     oop     (  0.008,  -0.016,   0.005)  (  0.003,  -0.007,  -0.000)  ( 0.00,  0.02,  0.00)
181:     vdw     ( 39.697, -46.373, -28.940)  ( 39.698, -46.372, -28.940)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (156.695, 186.884, -202.167)  (156.738, 186.928, -202.126)  ( 0.03,  0.02,  0.02)
181:     bond    ( 92.745, 168.051, -212.764)  ( 92.764, 168.078, -212.748)  ( 0.02,  0.02,  0.01)
181:     angle   (  0.038,   0.692,   0.134)  (  0.050,   0.706,   0.143)  ( 0.04,  0.99,  0.12)
181:     torsion ( -0.279,   0.221,  -0.320)  ( -0.273,   0.226,  -0.310)  ( 0.17,  0.11,  0.32)
181:     oop     ( -0.008,   0.003,  -0.009)  ( -0.003,  -0.001,  -0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 64.199,  17.918,  10.792)  ( 64.200,  17.919,  10.792)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (143.041,  -0.049, 281.242)  (143.058,   0.000, 281.292)  ( 0.01,  0.24,  0.02)
181:     bond    (177.585,  -0.026, 223.722)  (177.591,   0.000, 223.752)  ( 0.00,  0.07,  0.01)
181:     angle   (  0.404,  -0.016,   0.102)  (  0.410,  -0.000,   0.115)  ( 0.23,  0.03,  0.14)
181:     torsion (  0.325,  -0.005,  -0.107)  (  0.338,   0.000,  -0.104)  ( 0.44,  0.00,  0.03)
181:     oop     (  0.012,  -0.000,  -0.006)  (  0.005,   0.000,  -0.004)  ( 0.01,  0.00,  0.00)
181:     vdw     (-35.285,  -0.002,  57.531)  (-35.285,   0.000,  57.532)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       (202.096, 156.695, -186.980)  (202.126, 156.738, -186.928)  ( 0.02,  0.03,  0.03)
181:     bond    (212.732,  92.745, -168.105)  (212.748,  92.764, -168.078)  ( 0.01,  0.02,  0.02)
181:     angle   ( -0.152,   0.038,  -0.721)  ( -0.143,   0.050,  -0.706)  ( 0.14,  0.04,  1.04)
181:     torsion (  0.300,  -0.279,  -0.231)  (  0.310,  -0.273,  -0.226)  ( 0.30,  0.17,  0.12)
181:     oop     (  0.008,  -0.008,  -0.003)  (  0.003,  -0.003,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.793,  64.199, -17.920)  (-10.792,  64.200, -17.919)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       (-27.328, -298.242,  97.504)  (-27.307, -298.201,  97.544)  ( 0.08,  0.01,  0.04)
181:     bond    (-74.029, -270.205,  57.230)  (-74.018, -270.176,  57.253)  ( 0.01,  0.01,  0.04)
181:     angle   ( -0.163,   0.617,   0.285)  ( -0.154,   0.629,   0.299)  ( 0.14,  0.74,  0.40)
181:     torsion (  0.476,   0.281,   0.285)  (  0.487,   0.286,   0.290)  ( 0.51,  0.14,  0.15)
181:     oop     (  0.016,   0.005,   0.008)  (  0.007,  -0.000,   0.003)  ( 0.01,  0.00,  0.00)
181:     vdw     ( 46.371, -28.940,  39.697)  ( 46.372, -28.940,  39.698)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       (-97.594, -27.328, -298.242)  (-97.544, -27.307, -298.201)  ( 0.05,  0.08,  0.01)
181:     bond    (-57.277, -74.029, -270.205)  (-57.253, -74.018, -270.176)  ( 0.04,  0.01,  0.01)
181:     angle   ( -0.313,  -0.163,   0.617)  ( -0.299,  -0.154,   0.629)  ( 0.44,  0.14,  0.74)
181:     torsion ( -0.295,   0.476,   0.281)  ( -0.290,   0.487,   0.286)  ( 0.16,  0.51,  0.14)
181:     oop     ( -0.008,   0.016,   0.005)  ( -0.003,   0.007,  -0.000)  ( 0.00,  0.01,  0.00)
181:     vdw     (-39.700,  46.371, -28.940)  (-39.698,  46.372, -28.940)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       (-186.980, -202.167, 156.695)  (-186.928, -202.126, 156.738)  ( 0.03,  0.02,  0.03)
181:     bond    (-168.105, -212.764,  92.745)  (-168.078, -212.748,  92.764)  ( 0.02,  0.01,  0.02)
181:     angle   ( -0.721,   0.134,   0.038)  ( -0.706,   0.143,   0.050)  ( 1.04,  0.12,  0.04)
181:     torsion ( -0.231,  -0.320,  -0.279)  ( -0.226,  -0.310,  -0.273)  ( 0.12,  0.32,  0.17)
181:     oop     ( -0.003,  -0.009,  -0.008)  (  0.001,  -0.003,  -0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     (-17.920,  10.792,  64.199)  (-17.919,  10.792,  64.200)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       (202.096, 156.695, 186.884)  (202.126, 156.738, 186.928)  ( 0.02,  0.03,  0.02)
181:     bond    (212.732,  92.745, 168.051)  (212.748,  92.764, 168.078)  ( 0.01,  0.02,  0.02)
181:     angle   ( -0.152,   0.038,   0.692)  ( -0.143,   0.050,   0.706)  ( 0.14,  0.04,  0.99)
181:     torsion (  0.300,  -0.279,   0.221)  (  0.310,  -0.273,   0.226)  ( 0.30,  0.17,  0.11)
181:     oop     (  0.008,  -0.008,   0.003)  (  0.003,  -0.003,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.793,  64.199,  17.918)  (-10.792,  64.200,  17.919)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       (-281.337, -143.091,  -0.049)  (-281.292, -143.058,   0.000)  ( 0.02,  0.02,  0.24)
181:     bond    (-223.783, -177.596,  -0.026)  (-223.752, -177.591,   0.000)  ( 0.01,  0.00,  0.07)
181:     angle   ( -0.129,  -0.415,  -0.016)  ( -0.115,  -0.410,   0.000)  ( 0.17,  0.23,  0.03)
181:     torsion (  0.101,  -0.352,  -0.005)  (  0.104,  -0.338,  -0.000)  ( 0.03,  0.48,  0.00)
181:     oop     (  0.006,  -0.013,  -0.000)  (  0.004,  -0.005,   0.000)  ( 0.00,  0.01,  0.00)
181:     vdw     (-57.533,  35.285,  -0.002)  (-57.532,  35.285,  -0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( 97.504, -27.328, -298.242)  ( 97.544, -27.307, -298.201)  ( 0.04,  0.08,  0.01)
181:     bond    ( 57.230, -74.029, -270.205)  ( 57.253, -74.018, -270.176)  ( 0.04,  0.01,  0.01)
181:     angle   (  0.285,  -0.163,   0.617)  (  0.299,  -0.154,   0.629)  ( 0.40,  0.14,  0.74)
181:     torsion (  0.285,   0.476,   0.281)  (  0.290,   0.487,   0.286)  ( 0.15,  0.51,  0.14)
181:     oop     (  0.008,   0.016,   0.005)  (  0.003,   0.007,  -0.000)  ( 0.00,  0.01,  0.00)
181:     vdw     ( 39.697,  46.371, -28.940)  ( 39.698,  46.372, -28.940)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       (281.242, 143.041,  -0.049)  (281.292, 143.058,   0.000)  ( 0.02,  0.01,  0.24)
181:     bond    (223.722, 177.585,  -0.026)  (223.752, 177.591,   0.000)  ( 0.01,  0.00,  0.07)
181:     angle   (  0.102,   0.404,  -0.016)  (  0.115,   0.410,   0.000)  ( 0.14,  0.23,  0.03)
181:     torsion ( -0.107,   0.325,  -0.005)  ( -0.104,   0.338,   0.000)  ( 0.03,  0.44,  0.00)
181:     oop     ( -0.006,   0.012,  -0.000)  ( -0.004,   0.005,   0.000)  ( 0.00,  0.01,  0.00)
181:     vdw     ( 57.531, -35.285,  -0.002)  ( 57.532, -35.285,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (143.041,  -0.049, -281.337)  (143.058,   0.000, -281.292)  ( 0.01,  0.24,  0.02)
181:     bond    (177.585,  -0.026, -223.783)  (177.591,   0.000, -223.752)  ( 0.00,  0.07,  0.01)
181:     angle   (  0.404,  -0.016,  -0.129)  (  0.410,   0.000,  -0.115)  ( 0.23,  0.03,  0.17)
181:     torsion (  0.325,  -0.005,   0.101)  (  0.338,   0.000,   0.104)  ( 0.44,  0.00,  0.03)
181:     oop     (  0.012,  -0.000,   0.006)  (  0.005,  -0.000,   0.004)  ( 0.01,  0.00,  0.00)
181:     vdw     (-35.285,  -0.002, -57.533)  (-35.285,  -0.000, -57.532)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       (-27.328, 298.150,  97.504)  (-27.307, 298.201,  97.544)  ( 0.08,  0.02,  0.04)
181:     bond    (-74.029, 270.148,  57.230)  (-74.018, 270.176,  57.253)  ( 0.01,  0.01,  0.04)
181:     angle   ( -0.163,  -0.641,   0.285)  ( -0.154,  -0.629,   0.299)  ( 0.14,  0.77,  0.40)
181:     torsion (  0.476,  -0.291,   0.285)  (  0.487,  -0.286,   0.290)  ( 0.51,  0.15,  0.15)
181:     oop     (  0.016,  -0.005,   0.008)  (  0.007,   0.000,   0.003)  ( 0.01,  0.00,  0.00)
181:     vdw     ( 46.371,  28.939,  39.697)  ( 46.372,  28.940,  39.698)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       (-97.594, -27.328, 298.150)  (-97.544, -27.307, 298.201)  ( 0.05,  0.08,  0.02)
181:     bond    (-57.277, -74.029, 270.148)  (-57.253, -74.018, 270.176)  ( 0.04,  0.01,  0.01)
181:     angle   ( -0.313,  -0.163,  -0.641)  ( -0.299,  -0.154,  -0.629)  ( 0.44,  0.14,  0.77)
181:     torsion ( -0.295,   0.476,  -0.291)  ( -0.290,   0.487,  -0.286)  ( 0.16,  0.51,  0.15)
181:     oop     ( -0.008,   0.016,  -0.005)  ( -0.003,   0.007,   0.000)  ( 0.00,  0.01,  0.00)
181:     vdw     (-39.700,  46.371,  28.939)  (-39.698,  46.372,  28.940)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       (281.242, -143.091,  -0.049)  (281.292, -143.058,   0.000)  ( 0.02,  0.02,  0.24)
181:     bond    (223.722, -177.596,  -0.026)  (223.752, -177.591,   0.000)  ( 0.01,  0.00,  0.07)
181:     angle   (  0.102,  -0.415,  -0.016)  (  0.115,  -0.410,   0.000)  ( 0.14,  0.23,  0.03)
181:     torsion ( -0.107,  -0.352,  -0.005)  ( -0.104,  -0.338,   0.000)  ( 0.03,  0.48,  0.00)
181:     oop     ( -0.006,  -0.013,  -0.000)  ( -0.004,  -0.005,   0.000)  ( 0.00,  0.01,  0.00)
181:     vdw     ( 57.531,  35.285,  -0.002)  ( 57.532,  35.285,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       (-202.167, 156.695, -186.980)  (-202.126, 156.738, -186.928)  ( 0.02,  0.03,  0.03)
181:     bond    (-212.764,  92.745, -168.105)  (-212.748,  92.764, -168.078)  ( 0.01,  0.02,  0.02)
181:     angle   (  0.134,   0.038,  -0.721)  (  0.143,   0.050,  -0.706)  ( 0.12,  0.04,  1.04)
181:     torsion ( -0.320,  -0.279,  -0.231)  ( -0.310,  -0.273,  -0.226)  ( 0.32,  0.17,  0.12)
181:     oop     ( -0.009,  -0.008,  -0.003)  ( -0.003,  -0.003,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.792,  64.199, -17.920)  ( 10.792,  64.200, -17.919)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       (-202.167, 156.695, 186.884)  (-202.126, 156.738, 186.928)  ( 0.02,  0.03,  0.02)
181:     bond    (-212.764,  92.745, 168.051)  (-212.748,  92.764, 168.078)  ( 0.01,  0.02,  0.02)
181:     angle   (  0.134,   0.038,   0.692)  (  0.143,   0.050,   0.706)  ( 0.12,  0.04,  0.99)
181:     torsion ( -0.320,  -0.279,   0.221)  ( -0.310,  -0.273,   0.226)  ( 0.32,  0.17,  0.11)
181:     oop     ( -0.009,  -0.008,   0.003)  ( -0.003,  -0.003,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.792,  64.199,  17.918)  ( 10.792,  64.200,  17.919)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       (-143.091,  -0.049, 281.242)  (-143.058,  -0.000, 281.292)  ( 0.02,  0.24,  0.02)
181:     bond    (-177.596,  -0.026, 223.722)  (-177.591,   0.000, 223.752)  ( 0.00,  0.07,  0.01)
181:     angle   ( -0.415,  -0.016,   0.102)  ( -0.410,   0.000,   0.115)  ( 0.23,  0.03,  0.14)
181:     torsion ( -0.352,  -0.005,  -0.107)  ( -0.338,   0.000,  -0.104)  ( 0.48,  0.00,  0.03)
181:     oop     ( -0.013,  -0.000,  -0.006)  ( -0.005,   0.000,  -0.004)  ( 0.01,  0.00,  0.00)
181:     vdw     ( 35.285,  -0.002,  57.531)  ( 35.285,  -0.000,  57.532)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 38       (-202.167, -156.771, -186.980)  (-202.126, -156.738, -186.928)  ( 0.02,  0.02,  0.03)
181:     bond    (-212.764, -92.784, -168.105)  (-212.748, -92.764, -168.078)  ( 0.01,  0.02,  0.02)
181:     angle   (  0.134,  -0.061,  -0.721)  (  0.143,  -0.050,  -0.706)  ( 0.12,  0.07,  1.04)
181:     torsion ( -0.320,   0.267,  -0.231)  ( -0.310,   0.273,  -0.226)  ( 0.32,  0.16,  0.12)
181:     oop     ( -0.009,   0.007,  -0.003)  ( -0.003,   0.003,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.792, -64.201, -17.920)  ( 10.792, -64.200, -17.919)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 39       (-202.167, -156.771, 186.884)  (-202.126, -156.738, 186.928)  ( 0.02,  0.02,  0.02)
181:     bond    (-212.764, -92.784, 168.051)  (-212.748, -92.764, 168.078)  ( 0.01,  0.02,  0.02)
181:     angle   (  0.134,  -0.061,   0.692)  (  0.143,  -0.050,   0.706)  ( 0.12,  0.07,  0.99)
181:     torsion ( -0.320,   0.267,   0.221)  ( -0.310,   0.273,   0.226)  ( 0.32,  0.16,  0.11)
181:     oop     ( -0.009,   0.007,   0.003)  ( -0.003,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.792, -64.201,  17.918)  ( 10.792, -64.200,  17.919)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 40       ( 97.504, -27.328, 298.150)  ( 97.544, -27.307, 298.201)  ( 0.04,  0.08,  0.02)
181:     bond    ( 57.230, -74.029, 270.148)  ( 57.253, -74.018, 270.176)  ( 0.04,  0.01,  0.01)
181:     angle   (  0.285,  -0.163,  -0.641)  (  0.299,  -0.154,  -0.629)  ( 0.40,  0.14,  0.77)
181:     torsion (  0.285,   0.476,  -0.291)  (  0.290,   0.487,  -0.286)  ( 0.15,  0.51,  0.15)
181:     oop     (  0.008,   0.016,  -0.005)  (  0.003,   0.007,   0.000)  ( 0.00,  0.01,  0.00)
181:     vdw     ( 39.697,  46.371,  28.939)  ( 39.698,  46.372,  28.940)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 41       (-186.980, -202.167, -156.771)  (-186.928, -202.126, -156.738)  ( 0.03,  0.02,  0.02)
181:     bond    (-168.105, -212.764, -92.784)  (-168.078, -212.748, -92.764)  ( 0.02,  0.01,  0.02)
181:     angle   ( -0.721,   0.134,  -0.061)  ( -0.706,   0.143,  -0.050)  ( 1.04,  0.12,  0.07)
181:     torsion ( -0.231,  -0.320,   0.267)  ( -0.226,  -0.310,   0.273)  ( 0.12,  0.32,  0.16)
181:     oop     ( -0.003,  -0.009,   0.007)  (  0.001,  -0.003,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     (-17.920,  10.792, -64.201)  (-17.919,  10.792, -64.200)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 42       (-298.242,  97.504,  27.266)  (-298.201,  97.544,  27.307)  ( 0.01,  0.04,  0.15)
181:     bond    (-270.205,  57.230,  74.008)  (-270.176,  57.253,  74.018)  ( 0.01,  0.04,  0.01)
181:     angle   (  0.617,   0.285,   0.145)  (  0.629,   0.299,   0.154)  ( 0.74,  0.40,  0.13)
181:     torsion (  0.281,   0.285,  -0.498)  (  0.286,   0.290,  -0.487)  ( 0.14,  0.15,  0.53)
181:     oop     (  0.005,   0.008,  -0.016)  ( -0.000,   0.003,  -0.007)  ( 0.00,  0.00,  0.02)
181:     vdw     (-28.940,  39.697, -46.373)  (-28.940,  39.698, -46.372)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 43       (186.884, -202.167, -156.771)  (186.928, -202.126, -156.738)  ( 0.02,  0.02,  0.02)
181:     bond    (168.051, -212.764, -92.784)  (168.078, -212.748, -92.764)  ( 0.02,  0.01,  0.02)
181:     angle   (  0.692,   0.134,  -0.061)  (  0.706,   0.143,  -0.050)  ( 0.99,  0.12,  0.07)
181:     torsion (  0.221,  -0.320,   0.267)  (  0.226,  -0.310,   0.273)  ( 0.11,  0.32,  0.16)
181:     oop     (  0.003,  -0.009,   0.007)  ( -0.001,  -0.003,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 17.918,  10.792, -64.201)  ( 17.919,  10.792, -64.200)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 44       ( 27.266, 298.150, -97.594)  ( 27.307, 298.201, -97.544)  ( 0.15,  0.02,  0.05)
181:     bond    ( 74.008, 270.148, -57.277)  ( 74.018, 270.176, -57.253)  ( 0.01,  0.01,  0.04)
181:     angle   (  0.145,  -0.641,  -0.313)  (  0.154,  -0.629,  -0.299)  ( 0.13,  0.77,  0.44)
181:     torsion ( -0.498,  -0.291,  -0.295)  ( -0.487,  -0.286,  -0.290)  ( 0.53,  0.15,  0.16)
181:     oop     ( -0.016,  -0.005,  -0.008)  ( -0.007,   0.000,  -0.003)  ( 0.02,  0.00,  0.00)
181:     vdw     (-46.373,  28.939, -39.700)  (-46.372,  28.940, -39.698)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 45       (-27.328, 298.150, -97.594)  (-27.307, 298.201, -97.544)  ( 0.08,  0.02,  0.05)
181:     bond    (-74.029, 270.148, -57.277)  (-74.018, 270.176, -57.253)  ( 0.01,  0.01,  0.04)
181:     angle   ( -0.163,  -0.641,  -0.313)  ( -0.154,  -0.629,  -0.299)  ( 0.14,  0.77,  0.44)
181:     torsion (  0.476,  -0.291,  -0.295)  (  0.487,  -0.286,  -0.290)  ( 0.51,  0.15,  0.16)
181:     oop     (  0.016,  -0.005,  -0.008)  (  0.007,   0.000,  -0.003)  ( 0.01,  0.00,  0.00)
181:     vdw     ( 46.371,  28.939, -39.700)  ( 46.372,  28.940, -39.698)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 46       ( 27.266, -298.242, -97.594)  ( 27.307, -298.201, -97.544)  ( 0.15,  0.01,  0.05)
181:     bond    ( 74.008, -270.205, -57.277)  ( 74.018, -270.176, -57.253)  ( 0.01,  0.01,  0.04)
181:     angle   (  0.145,   0.617,  -0.313)  (  0.154,   0.629,  -0.299)  ( 0.13,  0.74,  0.44)
181:     torsion ( -0.498,   0.281,  -0.295)  ( -0.487,   0.286,  -0.290)  ( 0.53,  0.14,  0.16)
181:     oop     ( -0.016,   0.005,  -0.008)  ( -0.007,  -0.000,  -0.003)  ( 0.02,  0.00,  0.00)
181:     vdw     (-46.373, -28.940, -39.700)  (-46.372, -28.940, -39.698)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 47       (-156.771, -186.980, 202.096)  (-156.738, -186.928, 202.126)  ( 0.02,  0.03,  0.02)
181:     bond    (-92.784, -168.105, 212.732)  (-92.764, -168.078, 212.748)  ( 0.02,  0.02,  0.01)
181:     angle   ( -0.061,  -0.721,  -0.152)  ( -0.050,  -0.706,  -0.143)  ( 0.07,  1.04,  0.14)
181:     torsion (  0.267,  -0.231,   0.300)  (  0.273,  -0.226,   0.310)  ( 0.16,  0.12,  0.30)
181:     oop     (  0.007,  -0.003,   0.008)  (  0.003,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     (-64.201, -17.920, -10.793)  (-64.200, -17.919, -10.792)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 48       (-143.091,  -0.049, -281.337)  (-143.058,  -0.000, -281.292)  ( 0.02,  0.24,  0.02)
181:     bond    (-177.596,  -0.026, -223.783)  (-177.591,   0.000, -223.752)  ( 0.00,  0.07,  0.01)
181:     angle   ( -0.415,  -0.016,  -0.129)  ( -0.410,   0.000,  -0.115)  ( 0.23,  0.03,  0.17)
181:     torsion ( -0.352,  -0.005,   0.101)  ( -0.338,  -0.000,   0.104)  ( 0.48,  0.00,  0.03)
181:     oop     ( -0.013,  -0.000,   0.006)  ( -0.005,  -0.000,   0.004)  ( 0.01,  0.00,  0.00)
181:     vdw     ( 35.285,  -0.002, -57.533)  ( 35.285,   0.000, -57.532)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 49       ( 97.504,  27.266, 298.150)  ( 97.544,  27.307, 298.201)  ( 0.04,  0.15,  0.02)
181:     bond    ( 57.230,  74.008, 270.148)  ( 57.253,  74.018, 270.176)  ( 0.04,  0.01,  0.01)
181:     angle   (  0.285,   0.145,  -0.641)  (  0.299,   0.154,  -0.629)  ( 0.40,  0.13,  0.77)
181:     torsion (  0.285,  -0.498,  -0.291)  (  0.290,  -0.487,  -0.286)  ( 0.15,  0.53,  0.15)
181:     oop     (  0.008,  -0.016,  -0.005)  (  0.003,  -0.007,   0.000)  ( 0.00,  0.02,  0.00)
181:     vdw     ( 39.697, -46.373,  28.939)  ( 39.698, -46.372,  28.940)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 50       (-186.980, 202.096, -156.771)  (-186.928, 202.126, -156.738)  ( 0.03,  0.02,  0.02)
181:     bond    (-168.105, 212.732, -92.784)  (-168.078, 212.748, -92.764)  ( 0.02,  0.01,  0.02)
181:     angle   ( -0.721,  -0.152,  -0.061)  ( -0.706,  -0.143,  -0.050)  ( 1.04,  0.14,  0.07)
181:     torsion ( -0.231,   0.300,   0.267)  ( -0.226,   0.310,   0.273)  ( 0.12,  0.30,  0.16)
181:     oop     ( -0.003,   0.008,   0.007)  (  0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     (-17.920, -10.793, -64.201)  (-17.919, -10.792, -64.200)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 51       (-27.328, -298.242, -97.594)  (-27.307, -298.201, -97.544)  ( 0.08,  0.01,  0.05)
181:     bond    (-74.029, -270.205, -57.277)  (-74.018, -270.176, -57.253)  ( 0.01,  0.01,  0.04)
181:     angle   ( -0.163,   0.617,  -0.313)  ( -0.154,   0.629,  -0.299)  ( 0.14,  0.74,  0.44)
181:     torsion (  0.476,   0.281,  -0.295)  (  0.487,   0.286,  -0.290)  ( 0.51,  0.14,  0.16)
181:     oop     (  0.016,   0.005,  -0.008)  (  0.007,  -0.000,  -0.003)  ( 0.01,  0.00,  0.00)
181:     vdw     ( 46.371, -28.940, -39.700)  ( 46.372, -28.940, -39.698)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 52       (156.695, -186.980, 202.096)  (156.738, -186.928, 202.126)  ( 0.03,  0.03,  0.02)
181:     bond    ( 92.745, -168.105, 212.732)  ( 92.764, -168.078, 212.748)  ( 0.02,  0.02,  0.01)
181:     angle   (  0.038,  -0.721,  -0.152)  (  0.050,  -0.706,  -0.143)  ( 0.04,  1.04,  0.14)
181:     torsion ( -0.279,  -0.231,   0.300)  ( -0.273,  -0.226,   0.310)  ( 0.17,  0.12,  0.30)
181:     oop     ( -0.008,  -0.003,   0.008)  ( -0.003,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 64.199, -17.920, -10.793)  ( 64.200, -17.919, -10.792)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 53       (298.150,  97.504,  27.266)  (298.201,  97.544,  27.307)  ( 0.02,  0.04,  0.15)
181:     bond    (270.148,  57.230,  74.008)  (270.176,  57.253,  74.018)  ( 0.01,  0.04,  0.01)
181:     angle   ( -0.641,   0.285,   0.145)  ( -0.629,   0.299,   0.154)  ( 0.77,  0.40,  0.13)
181:     torsion ( -0.291,   0.285,  -0.498)  ( -0.286,   0.290,  -0.487)  ( 0.15,  0.15,  0.53)
181:     oop     ( -0.005,   0.008,  -0.016)  (  0.000,   0.003,  -0.007)  ( 0.00,  0.00,  0.02)
181:     vdw     ( 28.939,  39.697, -46.373)  ( 28.940,  39.698, -46.372)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 54       ( -0.049, 281.242, 143.041)  (  0.000, 281.292, 143.058)  ( 0.24,  0.02,  0.01)
181:     bond    ( -0.026, 223.722, 177.585)  (  0.000, 223.752, 177.591)  ( 0.07,  0.01,  0.00)
181:     angle   ( -0.016,   0.102,   0.404)  (  0.000,   0.115,   0.410)  ( 0.03,  0.14,  0.23)
181:     torsion ( -0.005,  -0.107,   0.325)  (  0.000,  -0.104,   0.338)  ( 0.00,  0.03,  0.44)
181:     oop     ( -0.000,  -0.006,   0.012)  (  0.000,  -0.004,   0.005)  ( 0.00,  0.00,  0.01)
181:     vdw     ( -0.002,  57.531, -35.285)  (  0.000,  57.532, -35.285)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 55       (156.695, 186.884, 202.096)  (156.738, 186.928, 202.126)  ( 0.03,  0.02,  0.02)
181:     bond    ( 92.745, 168.051, 212.732)  ( 92.764, 168.078, 212.748)  ( 0.02,  0.02,  0.01)
181:     angle   (  0.038,   0.692,  -0.152)  (  0.050,   0.706,  -0.143)  ( 0.04,  0.99,  0.14)
181:     torsion ( -0.279,   0.221,   0.300)  ( -0.273,   0.226,   0.310)  ( 0.17,  0.11,  0.30)
181:     oop     ( -0.008,   0.003,   0.008)  ( -0.003,  -0.001,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 64.199,  17.918, -10.793)  ( 64.200,  17.919, -10.792)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 56       (-156.771, 186.884, 202.096)  (-156.738, 186.928, 202.126)  ( 0.02,  0.02,  0.02)
181:     bond    (-92.784, 168.051, 212.732)  (-92.764, 168.078, 212.748)  ( 0.02,  0.02,  0.01)
181:     angle   ( -0.061,   0.692,  -0.152)  ( -0.050,   0.706,  -0.143)  ( 0.07,  0.99,  0.14)
181:     torsion (  0.267,   0.221,   0.300)  (  0.273,   0.226,   0.310)  ( 0.16,  0.11,  0.30)
181:     oop     (  0.007,   0.003,   0.008)  (  0.003,  -0.001,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     (-64.201,  17.918, -10.793)  (-64.200,  17.919, -10.792)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 57       (186.884, 202.096, -156.771)  (186.928, 202.126, -156.738)  ( 0.02,  0.02,  0.02)
181:     bond    (168.051, 212.732, -92.784)  (168.078, 212.748, -92.764)  ( 0.02,  0.01,  0.02)
181:     angle   (  0.692,  -0.152,  -0.061)  (  0.706,  -0.143,  -0.050)  ( 0.99,  0.14,  0.07)
181:     torsion (  0.221,   0.300,   0.267)  (  0.226,   0.310,   0.273)  ( 0.11,  0.30,  0.16)
181:     oop     (  0.003,   0.008,   0.007)  ( -0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 17.918, -10.793, -64.201)  ( 17.919, -10.792, -64.200)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 58       (-298.242, -97.594,  27.266)  (-298.201, -97.544,  27.307)  ( 0.01,  0.05,  0.15)
181:     bond    (-270.205, -57.277,  74.008)  (-270.176, -57.253,  74.018)  ( 0.01,  0.04,  0.01)
181:     angle   (  0.617,  -0.313,   0.145)  (  0.629,  -0.299,   0.154)  ( 0.74,  0.44,  0.13)
181:     torsion (  0.281,  -0.295,  -0.498)  (  0.286,  -0.290,  -0.487)  ( 0.14,  0.16,  0.53)
181:     oop     (  0.005,  -0.008,  -0.016)  ( -0.000,  -0.003,  -0.007)  ( 0.00,  0.00,  0.02)
181:     vdw     (-28.940, -39.700, -46.373)  (-28.940, -39.698, -46.372)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 59       (298.150, -97.594,  27.266)  (298.201, -97.544,  27.307)  ( 0.02,  0.05,  0.15)
181:     bond    (270.148, -57.277,  74.008)  (270.176, -57.253,  74.018)  ( 0.01,  0.04,  0.01)
181:     angle   ( -0.641,  -0.313,   0.145)  ( -0.629,  -0.299,   0.154)  ( 0.77,  0.44,  0.13)
181:     torsion ( -0.291,  -0.295,  -0.498)  ( -0.286,  -0.290,  -0.487)  ( 0.15,  0.16,  0.53)
181:     oop     ( -0.005,  -0.008,  -0.016)  (  0.000,  -0.003,  -0.007)  ( 0.00,  0.00,  0.02)
181:     vdw     ( 28.939, -39.700, -46.373)  ( 28.940, -39.698, -46.372)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 60       ( -0.049, -281.337, 143.041)  ( -0.000, -281.292, 143.058)  ( 0.24,  0.02,  0.01)
181:     bond    ( -0.026, -223.783, 177.585)  (  0.000, -223.752, 177.591)  ( 0.07,  0.01,  0.00)
181:     angle   ( -0.016,  -0.129,   0.404)  (  0.000,  -0.115,   0.410)  ( 0.03,  0.17,  0.23)
181:     torsion ( -0.005,   0.101,   0.325)  ( -0.000,   0.104,   0.338)  ( 0.00,  0.03,  0.44)
181:     oop     ( -0.000,   0.006,   0.012)  ( -0.000,   0.004,   0.005)  ( 0.00,  0.00,  0.01)
181:     vdw     ( -0.002, -57.533, -35.285)  (  0.000, -57.532, -35.285)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 18 # gradients 
181: ok 19 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (187.442, -80.908,  -3.672)  (187.494, -80.846,  -3.733)  ( 0.03,  0.08,  1.66)
181:     bond    (  9.662,  34.813,  -0.219)  (  9.689,  34.853,  -0.218)  ( 0.28,  0.11,  0.01)
181:     angle   (232.233, -14.543,   3.991)  (232.257, -14.524,   3.990)  ( 0.01,  0.13,  0.02)
181:     torsion (  0.100,   0.118,  -8.823)  (  0.100,   0.118,  -8.791)  ( 0.00,  0.00,  0.36)
181:     oop     ( -0.001,  -0.003,   0.894)  ( -0.002,  -0.003,   0.802)  ( 0.00,  0.00,  8.27)
181:     vdw     (-54.552, -101.293,   0.486)  (-54.551, -101.291,   0.485)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-396.877, -26.391,  23.123)  (-396.817, -26.325,  23.254)  ( 0.01,  0.25,  0.57)
181:     bond    (-22.671, -12.760,  -0.575)  (-22.641, -12.714,  -0.575)  ( 0.13,  0.36,  0.02)
181:     angle   (-380.611,  45.357,   7.464)  (-380.585,  45.376,   7.462)  ( 0.01,  0.04,  0.02)
181:     torsion (  0.072,  -0.068,  18.770)  (  0.072,  -0.068,  18.797)  ( 0.00,  0.00,  0.14)
181:     oop     ( -0.004,   0.005,  -0.395)  ( -0.003,   0.004,  -0.290)  ( 0.00,  0.00,  4.18)
181:     vdw     (  6.338, -58.925,  -2.140)  (  6.339, -58.923,  -2.140)  ( 0.02,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (197.838, -192.492,  -5.916)  (197.900, -192.435,  -5.979)  ( 0.03,  0.03,  1.07)
181:     bond    ( 83.338, -37.167,  -0.934)  ( 83.375, -37.127,  -0.933)  ( 0.04,  0.11,  0.03)
181:     angle   ( 68.449, -156.536,  -1.508)  ( 68.474, -156.520,  -1.506)  ( 0.04,  0.01,  0.11)
181:     torsion (  0.111,   0.566,  -3.763)  (  0.111,   0.566,  -3.744)  ( 0.00,  0.00,  0.52)
181:     oop     (  0.003,   0.002,   0.314)  (  0.002,   0.002,   0.229)  ( 0.00,  0.00,  2.66)
181:     vdw     ( 45.937,   0.643,  -0.025)  ( 45.938,   0.643,  -0.025)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (131.699, 142.709,  -5.048)  (131.773, 142.790,  -4.744)  ( 0.06,  0.06,  6.03)
181:     bond    (-39.328, -45.304,   0.742)  (-39.285, -45.259,   0.742)  ( 0.11,  0.10,  0.03)
181:     angle   (108.956, 100.526,  -1.495)  (108.984, 100.556,  -1.495)  ( 0.03,  0.03,  0.00)
181:     torsion ( -0.239,   0.068,   2.388)  ( -0.239,   0.068,   2.407)  ( 0.00,  0.00,  0.80)
181:     oop     ( -0.011,  -0.015,  -1.688)  ( -0.009,  -0.013,  -1.402)  ( 0.00,  0.00, 16.93)
181:     vdw     ( 62.322,  87.435,  -4.995)  ( 62.324,  87.438,  -4.995)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       ( 79.288,  88.861,  -5.940)  ( 79.309,  88.889,  -6.055)  ( 0.03,  0.03,  1.93)
181:     bond    ( 34.251,  59.094,  -0.793)  ( 34.260,  59.119,  -0.793)  ( 0.02,  0.04,  0.02)
181:     angle   (-11.405,   6.603,   0.172)  (-11.396,   6.606,   0.172)  ( 0.08,  0.05,  0.00)
181:     torsion (  0.029,   0.039,   4.126)  (  0.029,   0.039,   4.129)  ( 0.00,  0.00,  0.09)
181:     oop     (  0.005,   0.007,   0.781)  (  0.005,   0.006,   0.663)  ( 0.00,  0.00,  9.23)
181:     vdw     ( 56.408,  23.118, -10.227)  ( 56.411,  23.119, -10.227)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (-182.051, 166.429,  -7.813)  (-181.992, 166.491,  -7.960)  ( 0.03,  0.04,  1.88)
181:     bond    (-39.410,  95.923,  -0.988)  (-39.370,  95.959,  -0.988)  ( 0.10,  0.04,  0.02)
181:     angle   (-109.318,  15.492,   3.850)  (-109.301,  15.517,   3.853)  ( 0.02,  0.16,  0.06)
181:     torsion ( -0.591,  -0.333, -11.745)  ( -0.591,  -0.333, -11.729)  ( 0.00,  0.00,  0.13)
181:     oop     (  0.000,   0.002,   1.006)  (  0.000,   0.002,   0.841)  ( 0.00,  0.00, 16.39)
181:     vdw     (-32.732,  55.345,   0.063)  (-32.732,  55.346,   0.063)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       ( 82.852, -217.208, -27.768)  ( 82.921, -217.147, -27.253)  ( 0.08,  0.03,  1.85)
181:     bond    (103.129, -71.073,   0.420)  (103.176, -71.040,   0.419)  ( 0.05,  0.05,  0.01)
181:     angle   ( 14.800, -138.621,  -2.387)  ( 14.823, -138.595,  -2.387)  ( 0.16,  0.02,  0.04)
181:     torsion (  0.228,  -0.269, -19.945)  (  0.228,  -0.269, -19.923)  ( 0.00,  0.00,  0.11)
181:     oop     (  0.013,   0.003,  -3.052)  (  0.011,   0.003,  -2.558)  ( 0.00,  0.00, 16.19)
181:     vdw     (-35.317,  -7.247,  -2.804)  (-35.316,  -7.246,  -2.804)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (-107.292, -13.736,  -1.515)  (-107.256, -13.723,  -1.763)  ( 0.03,  0.09, 16.41)
181:     bond    (-79.086,   1.050,  -0.525)  (-79.052,   1.050,  -0.525)  ( 0.04,  0.03,  0.02)
181:     angle   (  0.265,  19.773,  -0.294)  (  0.265,  19.784,  -0.294)  ( 0.00,  0.06,  0.01)
181:     torsion ( -0.008,   0.006,   1.224)  ( -0.008,   0.006,   1.228)  ( 0.00,  0.00,  0.33)
181:     oop     ( -0.009,  -0.002,   1.346)  ( -0.007,  -0.001,   1.094)  ( 0.00,  0.00, 18.72)
181:     vdw     (-28.454, -34.564,  -3.267)  (-28.453, -34.562,  -3.267)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-172.086,  17.247, -12.385)  (-172.027,  17.299, -12.279)  ( 0.03,  0.30,  0.86)
181:     bond    (-38.220, -32.802,  -1.579)  (-38.178, -32.765,  -1.579)  ( 0.11,  0.11,  0.04)
181:     angle   (-138.590,  57.157,   0.565)  (-138.571,  57.174,   0.567)  ( 0.01,  0.03,  0.11)
181:     torsion (  0.161,   0.048, -10.926)  (  0.161,   0.048, -10.901)  ( 0.00,  0.00,  0.23)
181:     oop     (  0.004,   0.008,  -0.407)  (  0.003,   0.007,  -0.328)  ( 0.00,  0.00,  3.21)
181:     vdw     (  4.559,  -7.165,  -0.038)  (  4.559,  -7.165,  -0.038)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (169.232,  18.020,   5.417)  (169.270,  18.061,   5.349)  ( 0.02,  0.22,  1.25)
181:     bond    (-55.806,   6.948,   0.149)  (-55.784,   6.982,   0.149)  ( 0.04,  0.49,  0.01)
181:     angle   (244.355,  31.756,  -3.708)  (244.371,  31.761,  -3.707)  ( 0.01,  0.02,  0.04)
181:     torsion (  0.150,  -0.110,   9.934)  (  0.150,  -0.110,   9.943)  ( 0.00,  0.00,  0.09)
181:     oop     (  0.003,  -0.006,   0.421)  (  0.002,  -0.005,   0.343)  ( 0.00,  0.00,  3.31)
181:     vdw     (-19.470, -20.567,  -1.378)  (-19.470, -20.567,  -1.379)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (-12.606,  65.636,  -0.581)  (-12.553,  65.688,  -0.517)  ( 0.42,  0.08,  3.76)
181:     bond    (  5.458,  28.969,   0.248)  (  5.496,  29.002,   0.248)  ( 0.70,  0.11,  0.01)
181:     angle   (-33.346,  33.342,   0.302)  (-33.332,  33.362,   0.303)  ( 0.04,  0.06,  0.03)
181:     torsion ( -0.008,   0.046,  -1.233)  ( -0.008,   0.046,  -1.216)  ( 0.00,  0.00,  1.42)
181:     oop     ( -0.001,   0.004,  -0.208)  ( -0.001,   0.003,  -0.162)  ( 0.00,  0.00,  0.95)
181:     vdw     ( 15.292,   3.276,   0.310)  ( 15.292,   3.276,   0.310)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (121.758,  22.361,  13.948)  (121.796,  22.396,  13.907)  ( 0.03,  0.16,  0.29)
181:     bond    (132.390,  45.819,   4.435)  (132.415,  45.839,   4.454)  ( 0.02,  0.04,  0.41)
181:     angle   ( -2.089,  -2.617,  -0.059)  ( -2.077,  -2.605,  -0.050)  ( 0.56,  0.48,  0.05)
181:     torsion ( -0.309,   0.397,   9.614)  ( -0.309,   0.399,   9.619)  ( 0.01,  0.06,  0.06)
181:     oop     ( -0.003,  -0.005,   0.279)  ( -0.002,  -0.004,   0.205)  ( 0.00,  0.00,  2.04)
181:     vdw     ( -8.231, -21.233,  -0.321)  ( -8.231, -21.233,  -0.321)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (-99.503, -29.622,   1.878)  (-99.465, -29.589,   1.866)  ( 0.04,  0.11,  0.61)
181:     bond    (-143.684,  -2.026,   1.231)  (-143.658,  -2.008,   1.249)  ( 0.02,  0.90,  1.49)
181:     angle   (  5.465,   2.016,  -2.523)  (  5.477,   2.029,  -2.514)  ( 0.21,  0.64,  0.34)
181:     torsion (  0.033,  -0.108,   2.900)  (  0.033,  -0.108,   2.903)  ( 0.00,  0.00,  0.10)
181:     oop     (  0.003,   0.000,   0.231)  (  0.002,   0.000,   0.189)  ( 0.00,  0.00,  0.95)
181:     vdw     ( 38.681, -29.504,   0.040)  ( 38.682, -29.503,   0.039)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       ( 37.582, -74.411,   1.587)  ( 37.616, -74.375,   1.573)  ( 0.09,  0.05,  0.86)
181:     bond    ( 71.123, -130.243,   0.491)  ( 71.143, -130.219,   0.509)  ( 0.03,  0.02,  0.90)
181:     angle   ( -1.091,   8.131,  -4.336)  ( -1.079,   8.143,  -4.327)  ( 1.15,  0.15,  0.20)
181:     torsion (  0.265,   0.210,   5.207)  (  0.264,   0.209,   5.209)  ( 0.02,  0.00,  0.03)
181:     oop     ( -0.001,   0.003,   0.268)  ( -0.001,   0.002,   0.226)  ( 0.00,  0.00,  1.12)
181:     vdw     (-32.714,  47.488,  -0.043)  (-32.712,  47.489,  -0.043)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       (  3.920,  23.932,   2.654)  (  3.926,  23.948,   2.615)  ( 0.15,  0.07,  1.49)
181:     bond    ( -0.122,  26.490,   0.583)  ( -0.122,  26.505,   0.584)  ( 0.00,  0.06,  0.01)
181:     angle   ( -1.585,   0.003,  -0.446)  ( -1.579,   0.003,  -0.446)  ( 0.35,  0.00,  0.01)
181:     torsion (  0.009,  -0.051,   2.319)  (  0.009,  -0.051,   2.323)  ( 0.00,  0.00,  0.18)
181:     oop     (  0.000,  -0.004,   0.190)  (  0.000,  -0.003,   0.147)  ( 0.00,  0.00,  0.83)
181:     vdw     (  5.617,  -2.505,   0.007)  (  5.617,  -2.505,   0.007)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       (-12.966, -57.351,   0.642)  (-12.962, -57.337,   0.645)  ( 0.03,  0.02,  0.16)
181:     bond    ( -0.882, -53.411,  -2.255)  ( -0.883, -53.397,  -2.256)  ( 0.02,  0.03,  0.01)
181:     angle   (  3.775,  -0.050,  -0.306)  (  3.779,  -0.050,  -0.304)  ( 0.10,  0.00,  0.06)
181:     torsion ( -0.013,  -0.150,   3.548)  ( -0.013,  -0.150,   3.549)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-15.846,  -3.741,  -0.345)  (-15.846,  -3.741,  -0.345)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       (-29.773,  13.507,  42.731)  (-29.768,  13.511,  42.741)  ( 0.02,  0.03,  0.02)
181:     bond    (-23.962,  15.581,  42.293)  (-23.959,  15.583,  42.302)  ( 0.01,  0.01,  0.02)
181:     angle   ( -0.566,  -0.453,  -0.154)  ( -0.563,  -0.450,  -0.153)  ( 0.15,  0.10,  0.01)
181:     torsion ( -0.955,   2.888,  -1.605)  ( -0.955,   2.888,  -1.605)  ( 0.01,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.291,  -4.509,   2.197)  ( -4.291,  -4.509,   2.197)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (-28.873,  10.784, -48.345)  (-28.867,  10.788, -48.335)  ( 0.02,  0.04,  0.02)
181:     bond    (-24.956,  20.128, -43.024)  (-24.953,  20.130, -43.016)  ( 0.01,  0.01,  0.02)
181:     angle   (  0.068,  -0.407,  -0.231)  (  0.070,  -0.404,  -0.230)  ( 0.02,  0.09,  0.02)
181:     torsion (  1.119,  -3.172,  -2.133)  (  1.119,  -3.171,  -2.133)  ( 0.00,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.103,  -5.766,  -2.956)  ( -5.103,  -5.766,  -2.956)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       ( 23.298,  35.268, -45.037)  ( 23.302,  35.270, -45.025)  ( 0.02,  0.01,  0.03)
181:     bond    ( 17.270,  13.747, -49.394)  ( 17.271,  13.748, -49.382)  ( 0.01,  0.00,  0.02)
181:     angle   (  0.687,  -0.016,   0.237)  (  0.690,  -0.014,   0.237)  ( 0.23,  0.00,  0.01)
181:     torsion ( -0.153,  23.491,   6.486)  ( -0.153,  23.491,   6.486)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.494,  -1.954,  -2.366)  (  5.494,  -1.954,  -2.366)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       ( 49.465, -47.655,  -7.150)  ( 49.470, -47.643,  -7.148)  ( 0.01,  0.03,  0.03)
181:     bond    ( 19.007, -49.046,  12.655)  ( 19.008, -49.035,  12.656)  ( 0.01,  0.02,  0.00)
181:     angle   ( -5.104,  -1.936,   0.159)  ( -5.101,  -1.936,   0.161)  ( 0.06,  0.03,  0.03)
181:     torsion ( -0.199,  -6.185, -23.664)  ( -0.199,  -6.185, -23.664)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 35.760,   9.512,   3.699)  ( 35.761,   9.512,   3.699)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       ( 39.119,  10.672,  60.557)  ( 39.124,  10.680,  60.564)  ( 0.01,  0.07,  0.01)
181:     bond    ( 18.322,  36.440,  36.440)  ( 18.324,  36.446,  36.446)  ( 0.01,  0.02,  0.02)
181:     angle   ( -1.098,   0.558,  -0.010)  ( -1.095,   0.559,  -0.009)  ( 0.30,  0.07,  0.00)
181:     torsion (  0.352, -17.349,  17.172)  (  0.352, -17.349,  17.172)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 21.543,  -8.977,   6.954)  ( 21.543,  -8.977,   6.954)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (-35.374,  34.391,  58.122)  (-35.364,  34.395,  58.128)  ( 0.03,  0.01,  0.01)
181:     bond    (-43.660,  -2.568,  33.124)  (-43.652,  -2.568,  33.129)  ( 0.02,  0.01,  0.01)
181:     angle   (  0.091,  -2.152,  -0.047)  (  0.092,  -2.149,  -0.046)  ( 0.01,  0.16,  0.01)
181:     torsion ( 11.893,   6.719,  16.191)  ( 11.893,   6.719,  16.191)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.697,  32.392,   8.854)  ( -3.697,  32.393,   8.854)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       (-10.234,  81.938,   8.082)  (-10.225,  81.948,   8.084)  ( 0.08,  0.01,  0.03)
181:     bond    ( 33.600,  40.238,  17.334)  ( 33.605,  40.245,  17.335)  ( 0.01,  0.02,  0.01)
181:     angle   (  5.938,  -5.064,   0.237)  (  5.940,  -5.063,   0.239)  ( 0.04,  0.03,  0.04)
181:     torsion (  6.440,   3.280, -20.101)  (  6.440,   3.280, -20.101)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-56.212,  43.484,  10.612)  (-56.211,  43.485,  10.612)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       (-36.608,   7.264, -47.950)  (-36.605,   7.267, -47.938)  ( 0.01,  0.05,  0.03)
181:     bond    (-16.227,  10.670, -49.969)  (-16.226,  10.670, -49.957)  ( 0.01,  0.00,  0.02)
181:     angle   ( -0.546,   1.436,   0.484)  ( -0.544,   1.439,   0.484)  ( 0.11,  0.22,  0.02)
181:     torsion (-18.485, -10.083,   3.851)  (-18.486, -10.083,   3.851)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.349,   5.242,  -2.315)  ( -1.349,   5.242,  -2.315)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 20 # gradients 
181: ok 21 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (-153.373, -69.971,  55.658)  (-153.332, -69.935,  55.694)  ( 0.03,  0.05,  0.07)
181:     bond    (-118.434, -27.963, 117.758)  (-118.409, -27.941, 117.778)  ( 0.02,  0.08,  0.02)
181:     angle   ( -7.105, -15.058, -47.730)  ( -7.090, -15.044, -47.715)  ( 0.21,  0.09,  0.03)
181:     torsion (-10.090,  -9.856, -13.607)  (-10.088,  -9.856, -13.605)  ( 0.01,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-17.745, -17.094,  -0.764)  (-17.744, -17.094,  -0.764)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       ( -6.942,  13.081,  20.181)  ( -6.908,  13.113,  20.212)  ( 0.49,  0.24,  0.15)
181:     bond    ( 93.283, -23.271, -11.981)  ( 93.302, -23.251, -11.964)  ( 0.02,  0.09,  0.15)
181:     angle   (-28.134,  11.848,  54.240)  (-28.122,  11.859,  54.251)  ( 0.04,  0.09,  0.02)
181:     torsion (-32.898,  14.666,   8.358)  (-32.896,  14.667,   8.361)  ( 0.00,  0.01,  0.03)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-39.193,   9.837, -30.436)  (-39.192,   9.837, -30.436)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       ( 22.168,   8.186, -22.647)  ( 22.201,   8.219, -22.615)  ( 0.15,  0.41,  0.14)
181:     bond    ( 34.130, -72.157, 129.290)  ( 34.151, -72.139, 129.309)  ( 0.06,  0.03,  0.01)
181:     angle   ( -1.163,  40.049, -91.327)  ( -1.152,  40.060, -91.316)  ( 0.98,  0.03,  0.01)
181:     torsion (  9.461,  19.306, -33.473)  (  9.462,  19.309, -33.471)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-20.260,  20.988, -27.137)  (-20.259,  20.989, -27.136)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       ( 19.565, -52.815,  20.846)  ( 19.599, -52.756,  21.009)  ( 0.17,  0.11,  0.78)
181:     bond    ( 48.823,  84.861, -70.006)  ( 48.843,  84.880, -69.987)  ( 0.04,  0.02,  0.03)
181:     angle   ( -5.522, -77.195,  86.084)  ( -5.510, -77.183,  86.093)  ( 0.22,  0.02,  0.01)
181:     torsion (-12.453, -18.900,  -6.728)  (-12.453, -18.900,  -6.726)  ( 0.00,  0.00,  0.03)
181:     oop     ( -0.003,  -0.171,  -0.864)  ( -0.003,  -0.144,  -0.731)  ( 0.00,  0.46, 11.49)
181:     vdw     (-11.280, -41.409,  12.360)  (-11.279, -41.408,  12.360)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-74.504,  88.704, -49.250)  (-74.460,  88.676, -49.561)  ( 0.06,  0.03,  0.63)
181:     bond    (-49.325,  74.332,  -9.055)  (-49.296,  74.356,  -9.054)  ( 0.06,  0.03,  0.02)
181:     angle   (-37.756,  68.135, -81.092)  (-37.744,  68.149, -81.087)  ( 0.03,  0.02,  0.01)
181:     torsion (  9.057,  -4.154,  31.762)  (  9.058,  -4.154,  31.771)  ( 0.00,  0.02,  0.03)
181:     oop     ( -0.002,   0.412,   2.075)  ( -0.002,   0.345,   1.748)  ( 0.00,  2.74, 15.78)
181:     vdw     (  3.522, -50.020,   7.060)  (  3.523, -50.020,   7.060)  ( 0.04,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       ( 33.890, -79.244,  24.868)  ( 33.942, -79.224,  24.727)  ( 0.15,  0.03,  0.56)
181:     bond    ( -0.246,  24.304,  -2.518)  ( -0.216,  24.326,  -2.517)  ( 0.72,  0.09,  0.05)
181:     angle   ( 17.675, -45.694,  20.609)  ( 17.684, -45.680,  20.610)  ( 0.05,  0.03,  0.01)
181:     torsion ( -2.010,  -7.625, -12.160)  ( -2.010,  -7.624, -12.145)  ( 0.01,  0.01,  0.13)
181:     oop     ( -0.087,   0.129,   1.010)  ( -0.074,   0.111,   0.851)  ( 0.12,  0.23, 15.68)
181:     vdw     ( 18.558, -50.358,  17.928)  ( 18.559, -50.356,  17.928)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       ( -6.479,  29.201, -24.347)  ( -6.453,  29.250, -24.212)  ( 0.41,  0.17,  0.56)
181:     bond    (-86.066,  82.942,   2.549)  (-86.047,  82.962,   2.567)  ( 0.02,  0.02,  0.71)
181:     angle   ( 65.451, -10.781, -20.767)  ( 65.463, -10.769, -20.759)  ( 0.02,  0.11,  0.04)
181:     torsion (  4.651, -11.128, -21.212)  (  4.652, -11.128, -21.208)  ( 0.02,  0.01,  0.02)
181:     oop     (  0.039,  -0.090,  -0.588)  (  0.033,  -0.075,  -0.483)  ( 0.03,  0.14,  6.18)
181:     vdw     (  9.445, -31.740,  15.670)  (  9.446, -31.740,  15.671)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (-50.352, -14.112,  19.394)  (-50.316, -14.075,  19.428)  ( 0.07,  0.26,  0.18)
181:     bond    ( -4.083, -21.222, -134.545)  ( -4.063, -21.202, -134.526)  ( 0.49,  0.09,  0.01)
181:     angle   (-64.949,  37.155, 145.170)  (-64.935,  37.168, 145.182)  ( 0.02,  0.04,  0.01)
181:     torsion (-11.505,  -5.383,   9.994)  (-11.504,  -5.381,   9.996)  ( 0.01,  0.04,  0.03)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 30.185, -24.662,  -1.225)  ( 30.186, -24.661,  -1.224)  ( 0.00,  0.00,  0.02)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       ( 19.680,  49.353,  29.199)  ( 19.719,  49.388,  29.233)  ( 0.20,  0.07,  0.12)
181:     bond    (-47.975,  73.579,  64.884)  (-47.954,  73.599,  64.903)  ( 0.05,  0.03,  0.03)
181:     angle   ( 40.405,  20.098, -37.865)  ( 40.420,  20.112, -37.852)  ( 0.04,  0.07,  0.03)
181:     torsion ( -6.307, -21.411, -22.443)  ( -6.305, -21.409, -22.440)  ( 0.03,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 33.556, -22.914,  24.622)  ( 33.557, -22.913,  24.623)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       ( 15.692,   0.042, -50.217)  ( 15.721,   0.074, -50.188)  ( 0.19,  0.14,  0.06)
181:     bond    ( 17.964, 117.602, -67.197)  ( 17.982, 117.622, -67.178)  ( 0.10,  0.02,  0.03)
181:     angle   (-40.242, -75.341,  51.453)  (-40.231, -75.329,  51.464)  ( 0.03,  0.02,  0.02)
181:     torsion (  5.566, -24.566, -27.007)  (  5.566, -24.565, -27.008)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 32.404, -17.654,  -7.466)  ( 32.405, -17.653,  -7.466)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (-21.940,   1.245, -20.594)  (-21.909,   1.274, -20.565)  ( 0.15,  2.34,  0.14)
181:     bond    (-151.842, -12.958, -56.391)  (-151.822, -12.939, -56.372)  ( 0.01,  0.14,  0.03)
181:     angle   (120.348,  37.858,  32.910)  (120.361,  37.868,  32.920)  ( 0.01,  0.03,  0.03)
181:     torsion ( -1.948,   4.264,   6.229)  ( -1.949,   4.263,   6.228)  ( 0.03,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 11.501, -27.918,  -3.341)  ( 11.501, -27.917,  -3.341)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-34.430,  10.516,  70.214)  (-34.397,  10.554,  70.245)  ( 0.10,  0.36,  0.04)
181:     bond    (-90.912, 117.802, 125.753)  (-90.893, 117.824, 125.773)  ( 0.02,  0.02,  0.02)
181:     angle   ( 31.272, -134.270, -78.723)  ( 31.285, -134.256, -78.712)  ( 0.04,  0.01,  0.01)
181:     torsion ( 10.256,  30.515,   9.567)  ( 10.257,  30.516,   9.568)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 14.953,  -3.531,  13.616)  ( 14.954,  -3.530,  13.617)  ( 0.00,  0.02,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (  1.059,  33.761, -43.609)  (  1.093,  33.795, -43.577)  ( 3.21,  0.10,  0.07)
181:     bond    (132.862, -184.020, -37.633)  (132.882, -184.000, -37.613)  ( 0.02,  0.01,  0.05)
181:     angle   (-133.412, 190.940,  17.812)  (-133.399, 190.953,  17.823)  ( 0.01,  0.01,  0.06)
181:     torsion ( -3.930,  23.835, -14.652)  ( -3.929,  23.837, -14.651)  ( 0.02,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.539,   3.005,  -9.136)  (  5.539,   3.005,  -9.136)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       ( -9.168,  -5.874,  -3.147)  ( -9.136,  -5.841,  -3.117)  ( 0.35,  0.56,  0.96)
181:     bond    (-159.132, 160.549, -91.198)  (-159.112, 160.569, -91.179)  ( 0.01,  0.01,  0.02)
181:     angle   (137.891, -183.388,  64.718)  (137.902, -183.377,  64.727)  ( 0.01,  0.01,  0.01)
181:     torsion (  6.365,   0.090,  14.498)  (  6.366,   0.091,  14.500)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.708,  16.876,   8.835)  (  5.708,  16.877,   8.835)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       (-22.747,  -7.527,  -2.453)  (-22.715,  -7.494,  -2.424)  ( 0.14,  0.44,  1.22)
181:     bond    ( 76.533, -190.531,  43.415)  ( 76.553, -190.512,  43.434)  ( 0.03,  0.01,  0.04)
181:     angle   (-103.016, 195.873, -65.251)  (-103.005, 195.885, -65.243)  ( 0.01,  0.01,  0.01)
181:     torsion ( -9.947,   8.312,  -0.300)  ( -9.946,   8.313,  -0.297)  ( 0.01,  0.01,  0.06)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 13.682, -21.181,  19.682)  ( 13.683, -21.180,  19.683)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       ( -8.745,   0.117,  51.246)  ( -8.712,   0.149,  51.276)  ( 0.37,  0.37,  0.06)
181:     bond    (-75.225, 151.138, -61.792)  (-75.205, 151.157, -61.773)  ( 0.03,  0.01,  0.03)
181:     angle   ( 62.075, -144.854,  68.861)  ( 62.087, -144.843,  68.870)  ( 0.02,  0.01,  0.01)
181:     torsion (  7.495,  -5.083,  45.088)  (  7.495,  -5.082,  45.090)  ( 0.00,  0.02,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.090,  -1.084,  -0.911)  ( -3.090,  -1.084,  -0.911)  ( 0.01,  0.04,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       ( 25.523,   1.799,  -0.167)  ( 25.556,   1.834,  -0.136)  ( 0.13,  1.97,  0.52)
181:     bond    (-18.136, -82.738, 108.231)  (-18.117, -82.716, 108.249)  ( 0.11,  0.03,  0.02)
181:     angle   ( 17.917,  69.072, -92.513)  ( 17.930,  69.084, -92.502)  ( 0.07,  0.02,  0.01)
181:     torsion ( 17.104,  12.259, -16.637)  ( 17.105,  12.260, -16.635)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  8.639,   3.206,   0.752)  (  8.639,   3.206,   0.752)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       ( -1.860, -10.840,  31.164)  ( -1.831, -10.812,  31.192)  ( 1.59,  0.26,  0.09)
181:     bond    ( 59.323, -67.341, -22.835)  ( 59.341, -67.322, -22.816)  ( 0.03,  0.03,  0.08)
181:     angle   (-73.315,  25.387,  34.174)  (-73.305,  25.396,  34.183)  ( 0.01,  0.03,  0.03)
181:     torsion ( 17.309,   4.534,  25.099)  ( 17.310,   4.534,  25.101)  ( 0.00,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.178,  26.580,  -5.275)  ( -5.177,  26.580,  -5.275)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       (-12.415, -17.062, -31.821)  (-12.385, -17.032, -31.792)  ( 0.24,  0.17,  0.09)
181:     bond    (-106.875,  -6.292, -41.131)  (-106.856,  -6.274, -41.113)  ( 0.02,  0.29,  0.04)
181:     angle   ( 56.550,  -8.060,  40.383)  ( 56.559,  -8.051,  40.392)  ( 0.02,  0.12,  0.02)
181:     torsion ( 10.529,  -5.637, -24.337)  ( 10.530,  -5.635, -24.336)  ( 0.00,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 27.381,   2.927,  -6.735)  ( 27.381,   2.928,  -6.735)  ( 0.00,  0.02,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       (-21.251,   7.931,  21.259)  (-21.222,   7.962,  21.288)  ( 0.14,  0.38,  0.14)
181:     bond    ( 23.687, -49.666, 112.171)  ( 23.705, -49.648, 112.191)  ( 0.08,  0.04,  0.02)
181:     angle   (  5.209,  34.652, -63.076)  (  5.219,  34.662, -63.067)  ( 0.18,  0.03,  0.01)
181:     torsion (-21.776,  -6.463,   0.221)  (-21.775,  -6.461,   0.222)  ( 0.01,  0.02,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-28.372,  29.408, -28.058)  (-28.371,  29.410, -28.058)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       ( 24.080, -69.418, -20.760)  ( 24.120, -69.382, -20.722)  ( 0.16,  0.05,  0.18)
181:     bond    (135.254, -12.790, -16.925)  (135.277, -12.771, -16.904)  ( 0.02,  0.15,  0.12)
181:     angle   (-108.854, -51.139, -21.709)  (-108.838, -51.125, -21.694)  ( 0.01,  0.03,  0.07)
181:     torsion (-15.523, -14.689,  20.072)  (-15.522, -14.687,  20.073)  ( 0.01,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 13.203,   9.200,  -2.198)  ( 13.203,   9.201,  -2.198)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (  5.068,  -3.362,  12.702)  (  5.098,  -3.332,  12.731)  ( 0.59,  0.88,  0.24)
181:     bond    ( 36.092, -60.119, -133.482)  ( 36.109, -60.101, -133.463)  ( 0.05,  0.03,  0.01)
181:     angle   (-21.003,  23.373,  98.749)  (-20.993,  23.382,  98.758)  ( 0.05,  0.04,  0.01)
181:     torsion (  4.464, -11.648,   6.174)  (  4.466, -11.646,   6.175)  ( 0.03,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-14.485,  45.031,  41.261)  (-14.484,  45.032,  41.261)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       ( -1.075,  35.661, -27.232)  ( -1.043,  35.694, -27.200)  ( 3.02,  0.09,  0.12)
181:     bond    (-59.491, -98.316, 109.543)  (-59.471, -98.297, 109.562)  ( 0.03,  0.02,  0.02)
181:     angle   ( 78.747,  50.708, -103.048)  ( 78.758,  50.719, -103.037)  ( 0.01,  0.02,  0.01)
181:     torsion ( -2.005,  47.425,  -9.989)  ( -2.004,  47.427,  -9.987)  ( 0.04,  0.00,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-18.327,  35.843, -23.738)  (-18.326,  35.844, -23.737)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       (-21.460,  28.710,  24.501)  (-21.427,  28.742,  24.531)  ( 0.16,  0.11,  0.13)
181:     bond    (149.796, -96.925, -10.303)  (149.815, -96.904, -10.285)  ( 0.01,  0.02,  0.18)
181:     angle   (-115.617,  81.993,  71.317)  (-115.605,  82.004,  71.327)  ( 0.01,  0.01,  0.01)
181:     torsion (-28.846,  17.622,   6.086)  (-28.845,  17.623,   6.089)  ( 0.00,  0.01,  0.04)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-26.793,  26.019, -42.600)  (-26.792,  26.020, -42.599)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       (  4.159, -42.273, -21.119)  (  4.195, -42.234, -21.085)  ( 0.87,  0.09,  0.16)
181:     bond    (-129.458,  -4.452, 152.042)  (-129.438,  -4.431, 152.061)  ( 0.02,  0.47,  0.01)
181:     angle   (127.747, -66.671, -101.924)  (127.761, -66.657, -101.913)  ( 0.01,  0.02,  0.01)
181:     torsion ( 15.740, -13.912, -52.855)  ( 15.741, -13.910, -52.852)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -9.870,  42.763, -18.381)  ( -9.869,  42.764, -18.381)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       ( 54.252,   2.864,  38.220)  ( 54.289,   2.927,  38.404)  ( 0.07,  2.20,  0.48)
181:     bond    (116.744,   8.696, -58.261)  (116.765,   8.717, -58.240)  ( 0.02,  0.24,  0.04)
181:     angle   (-44.442, -21.743,  72.828)  (-44.426, -21.729,  72.841)  ( 0.04,  0.07,  0.02)
181:     torsion ( -9.082,  -1.376,  27.007)  ( -9.081,  -1.373,  27.010)  ( 0.01,  0.19,  0.01)
181:     oop     (  0.010,  -0.147,  -0.875)  (  0.007,  -0.123,  -0.729)  ( 0.00,  0.36, 12.86)
181:     vdw     ( -8.978,  17.434,  -2.478)  ( -8.977,  17.435,  -2.478)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       ( -4.690,  -0.608, -12.611)  ( -4.661,  -0.578, -12.582)  ( 0.63,  1.82,  0.24)
181:     bond    ( 38.557, -66.637, -124.644)  ( 38.575, -66.619, -124.625)  ( 0.05,  0.03,  0.02)
181:     angle   (-16.684,  68.990,  73.148)  (-16.674,  69.000,  73.157)  ( 0.06,  0.01,  0.01)
181:     torsion (-18.479, -14.465,   0.974)  (-18.478, -14.463,   0.974)  ( 0.01,  0.01,  0.04)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.085,  11.503,  37.911)  ( -8.084,  11.504,  37.911)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       (141.957,  62.584,  24.275)  (141.982,  62.594,  24.302)  ( 0.02,  0.02,  0.11)
181:     bond    (187.677,  96.952,   6.946)  (187.700,  96.958,   6.963)  ( 0.01,  0.01,  0.25)
181:     angle   (-29.664,   0.677,  50.012)  (-29.662,   0.680,  50.021)  ( 0.01,  0.21,  0.02)
181:     torsion ( -0.245, -22.328, -25.408)  ( -0.245, -22.328, -25.407)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-15.811, -12.717,  -7.275)  (-15.810, -12.717,  -7.275)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( 44.583,  -7.909, -27.026)  ( 44.587,  -7.903, -27.014)  ( 0.01,  0.08,  0.04)
181:     bond    (  3.150,  -7.872, -16.573)  (  3.150,  -7.869, -16.562)  ( 0.01,  0.03,  0.07)
181:     angle   ( -2.086,  -9.527,   4.128)  ( -2.083,  -9.524,   4.129)  ( 0.15,  0.03,  0.02)
181:     torsion ( 36.936,   6.164,   4.096)  ( 36.937,   6.164,   4.096)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  6.582,   3.325, -18.678)  (  6.583,   3.326, -18.677)  ( 0.01,  0.02,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       (-15.966,  20.151,  24.480)  (-15.961,  20.156,  24.493)  ( 0.03,  0.03,  0.05)
181:     bond    ( -7.259,  10.575,  35.044)  ( -7.259,  10.576,  35.056)  ( 0.00,  0.01,  0.03)
181:     angle   ( -6.563,   7.386,  -3.588)  ( -6.559,   7.389,  -3.587)  ( 0.05,  0.04,  0.01)
181:     torsion (-23.887,  13.197,  -8.927)  (-23.886,  13.198,  -8.927)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 21.742, -11.007,   1.952)  ( 21.743, -11.006,   1.952)  ( 0.01,  0.01,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       ( 28.424,   7.133, -42.440)  ( 28.429,   7.138, -42.428)  ( 0.02,  0.08,  0.03)
181:     bond    (  3.220,  -5.723, -17.457)  (  3.220,  -5.722, -17.445)  ( 0.01,  0.02,  0.07)
181:     angle   ( -2.774,  10.732,  -4.033)  ( -2.771,  10.735,  -4.032)  ( 0.12,  0.03,  0.01)
181:     torsion ( 22.776,  30.753,  -5.883)  ( 22.777,  30.754,  -5.883)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.202, -28.629, -15.067)  (  5.203, -28.628, -15.067)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       ( 94.571,  22.195, -55.139)  ( 94.577,  22.200, -55.127)  ( 0.01,  0.02,  0.02)
181:     bond    (  6.823, -15.057, -30.941)  (  6.824, -15.054, -30.931)  ( 0.01,  0.02,  0.03)
181:     angle   ( 14.968,  11.099,  -2.101)  ( 14.971,  11.102,  -2.101)  ( 0.02,  0.03,  0.03)
181:     torsion ( 41.437,  24.281,  -2.676)  ( 41.437,  24.281,  -2.676)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 31.343,   1.871, -19.420)  ( 31.344,   1.872, -19.420)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       (-25.643,   6.133, -28.436)  (-25.635,   6.137, -28.427)  ( 0.03,  0.06,  0.03)
181:     bond    (-20.780,   4.981, -23.834)  (-20.774,   4.982, -23.826)  ( 0.03,  0.00,  0.03)
181:     angle   ( 17.263,  -7.511, -16.624)  ( 17.264,  -7.508, -16.622)  ( 0.01,  0.04,  0.01)
181:     torsion (-14.457,   3.681,  13.374)  (-14.456,   3.681,  13.374)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -7.669,   4.981,  -1.353)  ( -7.669,   4.982,  -1.352)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       ( 21.404,   9.267,  51.371)  ( 21.409,   9.272,  51.382)  ( 0.03,  0.06,  0.02)
181:     bond    (-15.107,  13.559,  27.613)  (-15.105,  13.561,  27.622)  ( 0.02,  0.02,  0.03)
181:     angle   ( 27.787,  -5.154,  17.724)  ( 27.789,  -5.151,  17.725)  ( 0.01,  0.05,  0.01)
181:     torsion ( 30.926,  -5.029,  19.380)  ( 30.927,  -5.029,  19.381)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-22.202,   5.891, -13.347)  (-22.202,   5.891, -13.346)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       ( 16.406, -38.434, -25.285)  ( 16.411, -38.430, -25.273)  ( 0.03,  0.01,  0.05)
181:     bond    (  9.915,  -9.714, -27.660)  (  9.916,  -9.713, -27.649)  ( 0.01,  0.01,  0.04)
181:     angle   ( 12.153,  -6.961,   6.804)  ( 12.156,  -6.959,   6.804)  ( 0.02,  0.03,  0.01)
181:     torsion (  0.506, -26.055,   9.335)  (  0.506, -26.055,   9.335)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -6.167,   4.296, -13.763)  ( -6.166,   4.297, -13.763)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       ( -0.427,  41.149, -10.757)  ( -0.423,  41.163, -10.754)  ( 0.18,  0.03,  0.03)
181:     bond    ( -6.965,  35.011,  -3.353)  ( -6.964,  35.024,  -3.353)  ( 0.01,  0.04,  0.00)
181:     angle   ( 10.464,   3.532,  15.148)  ( 10.467,   3.532,  15.151)  ( 0.03,  0.01,  0.02)
181:     torsion (  7.604,   0.364, -11.995)  (  7.604,   0.364, -11.994)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-11.531,   2.243, -10.558)  (-11.530,   2.243, -10.558)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       ( -8.832,  62.541,  30.027)  ( -8.828,  62.544,  30.039)  ( 0.05,  0.00,  0.04)
181:     bond    (-10.934,   3.951,  30.250)  (-10.933,   3.951,  30.262)  ( 0.01,  0.00,  0.04)
181:     angle   ( -6.824,  19.150,  -4.966)  ( -6.821,  19.152,  -4.965)  ( 0.04,  0.01,  0.01)
181:     torsion ( -0.136,  45.168,  -5.947)  ( -0.136,  45.168,  -5.947)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  9.062,  -5.728,  10.689)  (  9.063,  -5.727,  10.689)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 38       (  3.940, -39.525,  28.389)  (  3.944, -39.511,  28.392)  ( 0.12,  0.03,  0.01)
181:     bond    (  5.472, -27.716,  -2.162)  (  5.472, -27.702,  -2.162)  ( 0.01,  0.05,  0.00)
181:     angle   ( 28.211,   6.634, -13.586)  ( 28.215,   6.634, -13.584)  ( 0.01,  0.00,  0.02)
181:     torsion (-11.974,  -5.473,  39.824)  (-11.973,  -5.473,  39.824)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-17.770, -12.970,   4.314)  (-17.769, -12.970,   4.314)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 39       (-11.360,   9.849, -23.675)  (-11.361,   9.882, -23.568)  ( 0.01,  0.33,  0.45)
181:     bond    ( -1.097,  20.505,  -3.627)  ( -1.097,  20.519,  -3.627)  ( 0.01,  0.07,  0.01)
181:     angle   (-28.664,  -1.892,  -2.033)  (-28.661,  -1.892,  -2.033)  ( 0.01,  0.00,  0.00)
181:     torsion (  2.012,  -3.156, -18.466)  (  2.012,  -3.156, -18.462)  ( 0.00,  0.00,  0.02)
181:     oop     (  0.044,  -0.132,  -0.759)  (  0.038,  -0.114,  -0.657)  ( 0.02,  0.23,  7.78)
181:     vdw     ( 16.346,  -5.476,   1.211)  ( 16.347,  -5.476,   1.211)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 40       ( 36.308,   6.034,  29.955)  ( 36.314,   6.038,  29.964)  ( 0.02,  0.07,  0.03)
181:     bond    ( 18.767, -10.397,  28.481)  ( 18.771, -10.396,  28.490)  ( 0.02,  0.01,  0.03)
181:     angle   ( -1.700,   6.406,   3.457)  ( -1.698,   6.409,   3.458)  ( 0.11,  0.05,  0.02)
181:     torsion ( 16.501,  18.716,  -4.044)  ( 16.502,  18.716,  -4.043)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.739,  -8.691,   2.060)  (  2.739,  -8.691,   2.060)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 41       ( -3.055, -21.255, -46.663)  ( -3.049, -21.250, -46.653)  ( 0.18,  0.02,  0.02)
181:     bond    ( 18.481, -11.472, -29.819)  ( 18.484, -11.471, -29.810)  ( 0.02,  0.01,  0.03)
181:     angle   (  2.922,  21.454,  -6.444)  (  2.924,  21.456,  -6.443)  ( 0.07,  0.01,  0.01)
181:     torsion (-22.485, -13.659,  -8.686)  (-22.484, -13.659,  -8.686)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.973, -17.577,  -1.714)  ( -1.973, -17.577,  -1.714)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 42       (-17.819,  36.412,  43.503)  (-17.816,  36.415,  43.517)  ( 0.02,  0.01,  0.03)
181:     bond    ( -7.195,  -1.910,  37.298)  ( -7.195,  -1.910,  37.312)  ( 0.00,  0.01,  0.04)
181:     angle   (-15.370,  18.468,  -2.018)  (-15.367,  18.471,  -2.018)  ( 0.02,  0.01,  0.00)
181:     torsion ( -1.188,  41.884,   1.915)  ( -1.188,  41.884,   1.915)  ( 0.03,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.934, -22.031,   6.308)  (  5.934, -22.030,   6.308)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 43       (  4.327, -52.811,   8.132)  (  4.332, -52.800,   8.135)  ( 0.11,  0.02,  0.03)
181:     bond    ( 15.124, -34.548, -10.635)  ( 15.126, -34.538, -10.634)  ( 0.01,  0.03,  0.01)
181:     angle   (  2.229,   8.850, -25.573)  (  2.232,   8.850, -25.570)  ( 0.11,  0.01,  0.01)
181:     torsion (-14.616, -17.750,  36.861)  (-14.616, -17.750,  36.861)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.589,  -9.362,   7.479)  (  1.590,  -9.362,   7.479)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 44       (-18.443,  12.453,  56.330)  (-18.440,  12.458,  56.341)  ( 0.02,  0.04,  0.02)
181:     bond    ( 14.507,  17.400,  38.285)  ( 14.508,  17.402,  38.296)  ( 0.01,  0.01,  0.03)
181:     angle   (-18.110,  22.092,  -3.181)  (-18.108,  22.095,  -3.180)  ( 0.01,  0.01,  0.02)
181:     torsion (-21.422, -19.062,  16.778)  (-21.422, -19.062,  16.778)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  6.582,  -7.977,   4.447)  (  6.582,  -7.977,   4.447)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 45       ( 50.114,  12.768, -16.909)  ( 50.124,  12.772, -16.904)  ( 0.02,  0.03,  0.03)
181:     bond    ( 28.379, -12.263, -17.863)  ( 28.388, -12.261, -17.859)  ( 0.03,  0.01,  0.02)
181:     angle   ( -7.540,  -4.218,  -9.092)  ( -7.539,  -4.216,  -9.090)  ( 0.01,  0.06,  0.02)
181:     torsion ( 15.446,  29.140,   4.546)  ( 15.446,  29.140,   4.545)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 13.829,   0.108,   5.500)  ( 13.830,   0.108,   5.500)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 46       ( 17.258, -74.872, -16.201)  ( 17.261, -74.865, -16.188)  ( 0.02,  0.01,  0.08)
181:     bond    (  2.525,  -6.603, -19.217)  (  2.525,  -6.602, -19.205)  ( 0.00,  0.02,  0.06)
181:     angle   ( -4.537,  11.154,  -4.432)  ( -4.534,  11.157,  -4.431)  ( 0.07,  0.03,  0.01)
181:     torsion (  6.819, -47.163,  17.109)  (  6.819, -47.162,  17.108)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 12.449, -32.261,  -9.660)  ( 12.450, -32.259,  -9.660)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 47       ( -2.346,  17.106,  26.971)  ( -2.338,  17.112,  26.979)  ( 0.34,  0.04,  0.03)
181:     bond    (-24.673,  23.429,  25.665)  (-24.669,  23.434,  25.670)  ( 0.02,  0.02,  0.02)
181:     angle   (-11.688, -14.038,   1.582)  (-11.686, -14.036,   1.584)  ( 0.02,  0.02,  0.12)
181:     torsion (  5.673, -11.971,  16.379)  (  5.673, -11.971,  16.379)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 28.343,  19.686, -16.655)  ( 28.344,  19.686, -16.654)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 48       (  3.916, -11.977, -70.615)  (  3.923, -11.969, -70.610)  ( 0.19,  0.06,  0.01)
181:     bond    ( 23.281, -24.777, -18.786)  ( 23.286, -24.772, -18.783)  ( 0.02,  0.02,  0.02)
181:     angle   ( -3.238,   3.945,  -9.218)  ( -3.236,   3.946,  -9.216)  ( 0.06,  0.04,  0.02)
181:     torsion (-16.522,  17.754, -43.899)  (-16.523,  17.754, -43.899)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.395,  -8.898,   1.288)  (  0.396,  -8.898,   1.288)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 49       ( 32.071, -33.304,  25.059)  ( 32.075, -33.300,  25.072)  ( 0.01,  0.01,  0.05)
181:     bond    (  1.999,  -6.832,  29.850)  (  1.998,  -6.831,  29.863)  ( 0.00,  0.01,  0.04)
181:     angle   ( -7.301,  -5.703,  -0.816)  ( -7.298,  -5.700,  -0.815)  ( 0.04,  0.05,  0.01)
181:     torsion ( 29.488, -23.263,  -7.295)  ( 29.488, -23.262,  -7.295)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.885,   2.492,   3.320)  (  7.886,   2.493,   3.320)  ( 0.00,  0.02,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 50       (-42.456,  36.563,   2.121)  (-42.451,  36.570,   2.129)  ( 0.01,  0.02,  0.40)
181:     bond    (-12.892,  19.154,  24.179)  (-12.890,  19.158,  24.186)  ( 0.01,  0.02,  0.03)
181:     angle   (  2.102,  -1.369,   2.203)  (  2.104,  -1.367,   2.204)  ( 0.12,  0.14,  0.05)
181:     torsion (-23.627,  17.730, -26.636)  (-23.626,  17.730, -26.636)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.039,   1.048,   2.375)  ( -8.039,   1.049,   2.375)  ( 0.00,  0.04,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 51       ( 52.952,  -9.860, -46.709)  ( 52.958,  -9.855, -46.698)  ( 0.01,  0.05,  0.02)
181:     bond    (-15.220,  19.983, -45.230)  (-15.219,  19.985, -45.219)  ( 0.01,  0.01,  0.02)
181:     angle   (-20.705, -20.061,  -1.898)  (-20.702, -20.058,  -1.898)  ( 0.01,  0.01,  0.03)
181:     torsion ( 29.317, -32.429, -24.199)  ( 29.317, -32.428, -24.198)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 59.560,  22.646,  24.617)  ( 59.562,  22.646,  24.618)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 52       (-30.119,   0.338,  61.014)  (-30.115,   0.342,  61.026)  ( 0.01,  0.13,  0.02)
181:     bond    ( 12.586,  -9.382,  34.918)  ( 12.587,  -9.382,  34.929)  ( 0.01,  0.01,  0.03)
181:     angle   ( -6.602,  16.545,   6.822)  ( -6.600,  16.547,   6.823)  ( 0.04,  0.01,  0.01)
181:     torsion (-29.059,   7.019,  12.357)  (-29.059,   7.019,  12.357)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -7.043, -13.843,   6.917)  ( -7.043, -13.842,   6.917)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 53       ( 33.764, -28.975,  -6.678)  ( 33.769, -28.966,  -6.671)  ( 0.02,  0.03,  0.11)
181:     bond    ( 10.870, -19.294, -17.724)  ( 10.872, -19.288, -17.719)  ( 0.02,  0.03,  0.03)
181:     angle   (-11.286,  -8.512,   2.339)  (-11.283,  -8.510,   2.340)  ( 0.02,  0.02,  0.06)
181:     torsion ( 26.667,   8.579,   7.023)  ( 26.667,   8.580,   7.023)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.513,  -9.748,   1.685)  (  7.513,  -9.748,   1.685)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 54       (-47.852,  -9.022, -44.500)  (-47.849,  -9.018, -44.486)  ( 0.01,  0.05,  0.03)
181:     bond    (  2.526,  -0.643, -28.750)  (  2.526,  -0.643, -28.736)  ( 0.00,  0.01,  0.05)
181:     angle   ( -0.268,  -2.711,   0.037)  ( -0.265,  -2.707,   0.037)  ( 0.08,  0.13,  0.00)
181:     torsion (-50.211,  -9.373,  -4.203)  (-50.210,  -9.372,  -4.203)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.100,   3.705, -11.584)  (  0.101,   3.705, -11.584)  ( 0.00,  0.02,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 55       (-38.239,  -5.705, -32.015)  (-38.226,  -5.702, -32.012)  ( 0.03,  0.06,  0.01)
181:     bond    (-46.113,  -4.032, -13.586)  (-46.100,  -4.032, -13.585)  ( 0.03,  0.00,  0.01)
181:     angle   (  3.509, -32.715,  -2.200)  (  3.509, -32.712,  -2.198)  ( 0.00,  0.01,  0.09)
181:     torsion (  3.705,   6.365, -14.463)  (  3.705,   6.365, -14.463)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.660,  24.677,  -1.765)  (  0.660,  24.678,  -1.765)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 56       (-20.074, -19.534,  52.018)  (-20.072, -19.531,  52.032)  ( 0.01,  0.02,  0.03)
181:     bond    (  1.302,   8.678,  40.215)  (  1.302,   8.678,  40.229)  ( 0.01,  0.01,  0.03)
181:     angle   (  9.027, -24.582,   5.010)  (  9.029, -24.580,   5.010)  ( 0.02,  0.01,  0.00)
181:     torsion (-17.002, -12.013,   3.142)  (-17.002, -12.013,   3.142)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-13.401,   8.383,   3.651)  (-13.401,   8.383,   3.651)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 57       ( 26.460,  29.842,  -4.295)  ( 26.464,  29.852,  -4.290)  ( 0.02,  0.03,  0.12)
181:     bond    ( 11.126,  23.554, -14.467)  ( 11.128,  23.563, -14.464)  ( 0.02,  0.04,  0.02)
181:     angle   ( 12.472,  -8.642,  -4.482)  ( 12.474,  -8.641,  -4.480)  ( 0.02,  0.01,  0.04)
181:     torsion ( 11.289,   3.498,  14.382)  ( 11.289,   3.498,  14.382)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.427,  11.433,   0.272)  ( -8.427,  11.433,   0.272)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 58       ( 17.909, -40.158, -26.723)  ( 17.915, -40.148, -26.721)  ( 0.04,  0.02,  0.01)
181:     bond    ( 25.086, -34.130,  -7.983)  ( 25.091, -34.121,  -7.983)  ( 0.02,  0.03,  0.00)
181:     angle   (-20.491, -12.612, -10.496)  (-20.489, -12.611, -10.494)  ( 0.01,  0.01,  0.02)
181:     torsion (  3.136,   4.478,  -9.283)  (  3.136,   4.478,  -9.283)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.178,   2.107,   1.039)  ( 10.178,   2.107,   1.039)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 59       (  7.352,  34.910, -17.396)  (  7.357,  34.920, -17.391)  ( 0.07,  0.03,  0.02)
181:     bond    ( 14.463,  26.266, -13.205)  ( 14.466,  26.275, -13.203)  ( 0.02,  0.03,  0.02)
181:     angle   (-16.868,   2.403, -13.698)  (-16.866,   2.403, -13.696)  ( 0.01,  0.03,  0.01)
181:     torsion ( -3.902,   6.026,   7.716)  ( -3.902,   6.026,   7.716)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 13.658,   0.216,   1.791)  ( 13.659,   0.216,   1.791)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 60       ( -8.554, -15.355,  43.314)  ( -8.551, -15.353,  43.328)  ( 0.03,  0.02,  0.03)
181:     bond    ( -0.868,   5.060,  34.888)  ( -0.869,   5.060,  34.902)  ( 0.01,  0.00,  0.04)
181:     angle   (-22.600,  -6.248,   0.343)  (-22.597,  -6.246,   0.343)  ( 0.01,  0.03,  0.00)
181:     torsion (  0.908, -12.282,   1.803)  (  0.908, -12.281,   1.803)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 14.006,  -1.886,   6.280)  ( 14.007,  -1.886,   6.280)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 61       (-51.991,   5.602,  -4.126)  (-51.979,   5.605,  -4.121)  ( 0.02,  0.06,  0.10)
181:     bond    (-42.778, -10.304, -17.569)  (-42.767, -10.304, -17.567)  ( 0.03,  0.00,  0.01)
181:     angle   ( -4.630, -20.181,  23.103)  ( -4.629, -20.179,  23.105)  ( 0.01,  0.01,  0.01)
181:     torsion ( -7.164,  17.092,   7.415)  ( -7.164,  17.092,   7.415)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.580,  18.995, -17.074)  (  2.580,  18.996, -17.074)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 62       (-21.495,  33.412, -10.092)  (-21.491,  33.426, -10.089)  ( 0.02,  0.04,  0.03)
181:     bond    (  3.985,  46.253,  -1.556)  (  3.985,  46.266,  -1.556)  ( 0.00,  0.03,  0.01)
181:     angle   ( 13.192,  -0.148,  29.385)  ( 13.194,  -0.148,  29.388)  ( 0.01,  0.00,  0.01)
181:     torsion ( 21.003,  -1.921,  -3.329)  ( 21.003,  -1.921,  -3.329)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-59.674, -10.772, -34.592)  (-59.672, -10.772, -34.591)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 63       ( 16.626, -30.317, -28.851)  ( 16.633, -30.313, -28.844)  ( 0.05,  0.01,  0.02)
181:     bond    ( 23.941, -13.747, -21.268)  ( 23.948, -13.745, -21.263)  ( 0.03,  0.01,  0.02)
181:     angle   (  6.188,  -6.431,  11.125)  (  6.189,  -6.429,  11.127)  ( 0.02,  0.03,  0.01)
181:     torsion (-12.366, -15.028,  -4.213)  (-12.366, -15.027,  -4.213)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.138,   4.889, -14.495)  ( -1.138,   4.889, -14.495)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 64       (-22.104, -23.871,  24.818)  (-22.091, -23.868,  24.822)  ( 0.06,  0.01,  0.02)
181:     bond    (-40.965,  -6.579,   9.892)  (-40.953,  -6.579,   9.892)  ( 0.03,  0.00,  0.01)
181:     angle   ( -5.448, -19.724, -35.671)  ( -5.448, -19.722, -35.669)  ( 0.00,  0.01,  0.01)
181:     torsion (  4.240, -15.032,   7.554)  (  4.240, -15.031,   7.554)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 20.069,  17.464,  43.044)  ( 20.070,  17.464,  43.045)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 65       ( 41.479,   2.856,  23.643)  ( 41.485,   2.861,  23.652)  ( 0.01,  0.17,  0.04)
181:     bond    ( 23.063, -17.194,  32.166)  ( 23.067, -17.192,  32.174)  ( 0.02,  0.01,  0.02)
181:     angle   ( 22.666, -18.218, -25.987)  ( 22.668, -18.216, -25.986)  ( 0.01,  0.01,  0.00)
181:     torsion ( 12.123,  12.492,  -2.017)  ( 12.123,  12.492,  -2.017)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-16.374,  25.776,  19.481)  (-16.373,  25.777,  19.481)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 66       (-25.698,  36.326,  -3.779)  (-25.695,  36.340,  -3.776)  ( 0.01,  0.04,  0.08)
181:     bond    (  6.331,  45.473,   1.240)  (  6.331,  45.487,   1.240)  ( 0.00,  0.03,  0.02)
181:     angle   ( 15.181,  -1.371, -27.218)  ( 15.183,  -1.371, -27.215)  ( 0.01,  0.00,  0.01)
181:     torsion (-14.786,   2.193,  -4.961)  (-14.786,   2.193,  -4.961)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-32.424,  -9.969,  27.160)  (-32.423,  -9.968,  27.160)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 67       (  4.802,  42.782, -15.312)  (  4.806,  42.796, -15.309)  ( 0.08,  0.03,  0.02)
181:     bond    ( -3.755,  36.643,  -1.571)  ( -3.755,  36.657,  -1.571)  ( 0.00,  0.04,  0.01)
181:     angle   (  5.815,   1.377,  18.212)  (  5.818,   1.377,  18.214)  ( 0.05,  0.00,  0.01)
181:     torsion (  4.474,  -0.552, -23.574)  (  4.474,  -0.552, -23.573)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.731,   5.314,  -8.379)  ( -1.731,   5.314,  -8.379)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 68       ( 18.600, -41.214, -25.758)  ( 18.605, -41.210, -25.746)  ( 0.03,  0.01,  0.05)
181:     bond    (  9.516,  -9.512, -29.381)  (  9.517,  -9.511, -29.370)  ( 0.01,  0.01,  0.04)
181:     angle   ( 10.913,  -9.288,   6.544)  ( 10.916,  -9.286,   6.544)  ( 0.03,  0.02,  0.01)
181:     torsion (  3.658, -33.517,  12.039)  (  3.658, -33.516,  12.039)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.487,  11.103, -14.960)  ( -5.487,  11.103, -14.960)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 69       ( 24.242,  10.836,  42.437)  ( 24.248,  10.842,  42.448)  ( 0.02,  0.06,  0.02)
181:     bond    (-19.615,  22.847,  35.171)  (-19.613,  22.851,  35.179)  ( 0.01,  0.01,  0.02)
181:     angle   (  7.226, -17.693,  15.520)  (  7.229, -17.691,  15.521)  ( 0.03,  0.01,  0.01)
181:     torsion ( 38.219, -14.554,  30.761)  ( 38.219, -14.554,  30.762)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.588,  20.236, -39.015)  ( -1.586,  20.237, -39.014)  ( 0.07,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 70       (-41.118,  22.843, -11.862)  (-41.111,  22.847, -11.852)  ( 0.02,  0.02,  0.08)
181:     bond    (-18.980,   5.841, -25.923)  (-18.975,   5.841, -25.914)  ( 0.02,  0.01,  0.03)
181:     angle   (  2.186, -11.955,  -4.297)  (  2.188, -11.952,  -4.296)  ( 0.08,  0.02,  0.02)
181:     torsion (-23.335,  16.633,  20.836)  (-23.334,  16.633,  20.836)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.990,  12.324,  -2.478)  ( -0.989,  12.325,  -2.478)  ( 0.05,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 71       (-22.526, -19.580,  14.759)  (-22.514, -19.576,  14.763)  ( 0.05,  0.02,  0.03)
181:     bond    (-32.343, -13.094,  11.917)  (-32.332, -13.092,  11.919)  ( 0.03,  0.01,  0.01)
181:     angle   ( -3.695, -21.026, -33.117)  ( -3.694, -21.024, -33.115)  ( 0.01,  0.01,  0.01)
181:     torsion (  2.069,  -3.141,   2.162)  (  2.069,  -3.141,   2.162)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 11.442,  17.681,  33.797)  ( 11.443,  17.681,  33.797)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 72       ( 28.513,  -2.885,  23.663)  ( 28.521,  -2.883,  23.672)  ( 0.03,  0.10,  0.04)
181:     bond    ( 26.477,  -7.603,  29.522)  ( 26.483,  -7.603,  29.530)  ( 0.02,  0.00,  0.02)
181:     angle   ( 23.889,  -8.494, -23.613)  ( 23.890,  -8.492, -23.612)  ( 0.01,  0.02,  0.00)
181:     torsion (  3.479,   5.766,  -1.636)  (  3.479,   5.767,  -1.636)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-25.332,   7.445,  19.389)  (-25.331,   7.445,  19.390)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 73       (-17.606,  34.717,  -4.281)  (-17.603,  34.731,  -4.278)  ( 0.02,  0.04,  0.08)
181:     bond    ( -4.935,  45.959,  -3.462)  ( -4.935,  45.973,  -3.463)  ( 0.00,  0.03,  0.00)
181:     angle   ( 15.380,  -0.530, -28.957)  ( 15.382,  -0.530, -28.955)  ( 0.01,  0.00,  0.01)
181:     torsion ( -3.445,  -0.437,  -0.896)  ( -3.445,  -0.437,  -0.896)  ( 0.02,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-24.606, -10.275,  29.035)  (-24.605, -10.275,  29.036)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 74       (-49.166, -29.527, -81.473)  (-49.157, -29.524, -81.458)  ( 0.02,  0.01,  0.02)
181:     bond    (-44.679, -30.815, -66.485)  (-44.673, -30.812, -66.471)  ( 0.01,  0.01,  0.02)
181:     angle   ( 32.405,  13.263, -27.929)  ( 32.406,  13.263, -27.927)  ( 0.01,  0.00,  0.01)
181:     torsion (  0.186,  -0.363,   0.043)  (  0.186,  -0.363,   0.043)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-37.078, -11.611,  12.897)  (-37.076, -11.611,  12.897)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 22 # gradients 
181: ok 23 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (471.070, -527.809, 235.674)  (471.068, -527.650, 235.807)  ( 0.00,  0.03,  0.06)
181:     bond    (282.282, -338.460, 183.324)  (282.308, -338.434, 183.329)  ( 0.01,  0.01,  0.00)
181:     angle   (223.482, -162.837,  60.542)  (223.499, -162.822,  60.544)  ( 0.01,  0.01,  0.00)
181:     torsion (  6.514,  -3.017,  -7.176)  (  6.516,  -3.014,  -7.160)  ( 0.02,  0.07,  0.23)
181:     oop     (  0.299,  -0.686,  -0.777)  (  0.251,  -0.571,  -0.667)  ( 1.43,  7.90,  8.55)
181:     vdw     (-41.507, -22.810,  -0.239)  (-41.506, -22.810,  -0.239)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-37.678, 495.727, -93.390)  (-37.527, 495.643, -93.793)  ( 0.40,  0.02,  0.43)
181:     bond    (181.430, 258.233, -39.725)  (181.458, 258.263, -39.721)  ( 0.02,  0.01,  0.01)
181:     angle   (-176.405, 185.504, -106.176)  (-176.388, 185.515, -106.173)  ( 0.01,  0.01,  0.00)
181:     torsion (-15.467,  17.518,  74.486)  (-15.466,  17.520,  74.506)  ( 0.01,  0.01,  0.03)
181:     oop     ( -0.647,   0.819,   2.707)  ( -0.545,   0.691,   2.277)  ( 6.61, 10.54, 15.86)
181:     vdw     (-26.588,  33.653, -24.682)  (-26.586,  33.653, -24.682)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (-70.571, 413.449,  -6.654)  (-70.580, 413.518,  -6.036)  ( 0.01,  0.02,  9.28)
181:     bond    ( 24.585,  49.198,   0.771)  ( 24.613,  49.244,   0.772)  ( 0.12,  0.09,  0.05)
181:     angle   (-71.834, 356.155, -23.113)  (-71.810, 356.171, -23.113)  ( 0.03,  0.00,  0.00)
181:     torsion ( -9.725,  14.444,  21.224)  ( -9.725,  14.444,  21.230)  ( 0.00,  0.00,  0.03)
181:     oop     (  0.353,  -0.045,  -3.367)  (  0.290,  -0.039,  -2.757)  ( 2.19,  0.03, 18.12)
181:     vdw     (-13.950,  -6.302,  -2.168)  (-13.949,  -6.301,  -2.168)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       ( 67.296, 345.733, -116.832)  ( 67.465, 345.534, -117.404)  ( 0.25,  0.06,  0.49)
181:     bond    ( 20.962, 334.056, -140.328)  ( 20.991, 334.095, -140.317)  ( 0.14,  0.01,  0.01)
181:     angle   ( 51.638,  24.695,  -7.235)  ( 51.658,  24.709,  -7.233)  ( 0.04,  0.06,  0.04)
181:     torsion ( -1.442,  10.041,  17.530)  ( -1.441,  10.045,  17.545)  ( 0.04,  0.04,  0.09)
181:     oop     ( -0.714,   1.530,   3.590)  ( -0.594,   1.273,   2.990)  ( 8.56, 16.80, 16.72)
181:     vdw     ( -3.149, -24.589,   9.611)  ( -3.149, -24.588,   9.611)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-63.482,  -7.984, -114.601)  (-63.515,  -7.856, -114.371)  ( 0.05,  1.60,  0.20)
181:     bond    (  1.526,  54.724, -23.955)  (  1.527,  54.752, -23.950)  ( 0.02,  0.05,  0.02)
181:     angle   (-57.069,  -2.678,  -9.760)  (-57.061,  -2.678,  -9.760)  ( 0.02,  0.00,  0.00)
181:     torsion ( 17.384, -39.452, -89.086)  ( 17.384, -39.451, -89.083)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.236,  -0.536,  -1.211)  (  0.194,  -0.438,  -0.990)  ( 1.02,  5.24, 18.26)
181:     vdw     (-25.559, -20.041,   9.411)  (-25.558, -20.041,   9.411)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (-324.748, -239.216,  64.079)  (-324.734, -239.089,  64.310)  ( 0.00,  0.05,  0.36)
181:     bond    (-298.909, -143.325,   5.907)  (-298.880, -143.297,   5.912)  ( 0.01,  0.02,  0.09)
181:     angle   (-31.422, -42.662,  11.915)  (-31.404, -42.647,  11.917)  ( 0.06,  0.03,  0.02)
181:     torsion ( -4.860,  10.627,  20.995)  ( -4.860,  10.630,  21.019)  ( 0.01,  0.02,  0.12)
181:     oop     (  0.233,  -0.526,  -1.282)  (  0.197,  -0.445,  -1.083)  ( 0.83,  4.26, 15.52)
181:     vdw     ( 10.211, -63.330,  26.545)  ( 10.214, -63.330,  26.545)  ( 0.03,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (-237.204, 105.160,  -7.206)  (-237.068, 105.024,  -7.751)  ( 0.06,  0.13,  7.56)
181:     bond    (-276.789, 151.802, -85.378)  (-276.753, 151.831, -85.372)  ( 0.01,  0.02,  0.01)
181:     angle   ( 62.975, -107.332,  44.691)  ( 62.994, -107.313,  44.693)  ( 0.03,  0.02,  0.00)
181:     torsion ( -8.959,   9.460,  46.715)  ( -8.959,   9.463,  46.741)  ( 0.00,  0.03,  0.06)
181:     oop     ( -0.441,   0.992,   3.150)  ( -0.362,   0.805,   2.572)  ( 3.48, 18.47, 18.37)
181:     vdw     (-13.990,  50.238, -16.384)  (-13.988,  50.238, -16.384)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       ( 12.867,  56.253,  18.035)  ( 12.903,  56.306,  18.097)  ( 0.28,  0.09,  0.34)
181:     bond    (-13.555,  39.305, -14.952)  (-13.526,  39.328, -14.949)  ( 0.21,  0.06,  0.02)
181:     angle   (  3.621,  68.824, -22.507)  (  3.631,  68.838, -22.505)  ( 0.29,  0.02,  0.01)
181:     torsion ( -4.379,  10.462,  32.449)  ( -4.379,  10.465,  32.470)  ( 0.01,  0.02,  0.06)
181:     oop     (  0.027,  -0.075,  -0.222)  (  0.023,  -0.063,  -0.185)  ( 0.01,  0.09,  0.80)
181:     vdw     ( 27.152, -62.265,  23.266)  ( 27.153, -62.263,  23.266)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (193.905, -249.150, 113.403)  (193.722, -248.655, 114.753)  ( 0.09,  0.20,  1.19)
181:     bond    (187.582, -203.883,  60.781)  (187.623, -203.848,  60.788)  ( 0.02,  0.02,  0.01)
181:     angle   (-37.635, -20.082, 257.774)  (-37.622, -20.065, 257.781)  ( 0.04,  0.08,  0.00)
181:     torsion ( 45.057, -48.667, -185.202)  ( 45.058, -48.665, -185.184)  ( 0.00,  0.00,  0.01)
181:     oop     (  1.431,  -2.502,  -7.557)  (  1.193,  -2.061,  -6.238)  (16.62, 17.62, 17.45)
181:     vdw     ( -2.531,  25.983, -12.393)  ( -2.531,  25.984, -12.393)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       ( 13.498,  89.796, -22.035)  ( 13.513,  89.914, -21.812)  ( 0.11,  0.13,  1.01)
181:     bond    ( 14.795, -92.389,  33.934)  ( 14.825, -92.367,  33.938)  ( 0.20,  0.02,  0.01)
181:     angle   ( -4.599, 137.077, -47.403)  ( -4.589, 137.093, -47.401)  ( 0.21,  0.01,  0.00)
181:     torsion ( -2.797,   6.187,  23.576)  ( -2.796,   6.190,  23.595)  ( 0.01,  0.05,  0.08)
181:     oop     (  0.141,  -0.424,  -1.088)  (  0.116,  -0.349,  -0.891)  ( 0.36,  3.18, 18.10)
181:     vdw     (  5.957,  39.344, -31.053)  (  5.958,  39.346, -31.053)  ( 0.02,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (-264.108, -25.417, -102.288)  (-263.234, -26.150, -98.666)  ( 0.33,  2.89,  3.54)
181:     bond    (-109.904, -40.910,  -2.486)  (-109.872, -40.882,  -2.482)  ( 0.03,  0.07,  0.17)
181:     angle   (-195.311,   7.602, -92.894)  (-195.293,   7.618, -92.891)  ( 0.01,  0.22,  0.00)
181:     torsion (  9.228, -10.620,  14.738)  (  9.228, -10.617,  14.754)  ( 0.01,  0.02,  0.11)
181:     oop     ( -2.539,   2.424, -11.214)  ( -1.716,   1.642,  -7.615)  (32.39, 32.27, 32.09)
181:     vdw     ( 34.418,  16.088, -10.432)  ( 34.419,  16.089, -10.432)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-10.655,  -5.268,  33.617)  (-10.638,  -5.289,  33.534)  ( 0.16,  0.39,  0.25)
181:     bond    ( -0.711, -13.338,   5.041)  ( -0.711, -13.325,   5.043)  ( 0.01,  0.10,  0.04)
181:     angle   (-13.750,   0.175,  -1.474)  (-13.746,   0.175,  -1.474)  ( 0.03,  0.00,  0.01)
181:     torsion ( -5.404,  15.649,  40.584)  ( -5.404,  15.650,  40.588)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.079,   0.232,   0.602)  ( -0.067,   0.198,   0.513)  ( 0.09,  0.80,  5.37)
181:     vdw     (  9.289,  -7.986, -11.136)  (  9.290,  -7.986, -11.136)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       ( 66.427, -38.297,  22.022)  ( 66.501, -38.326,  21.831)  ( 0.11,  0.08,  0.86)
181:     bond    (-74.778, 101.329, -42.944)  (-74.750, 101.356, -42.940)  ( 0.04,  0.03,  0.01)
181:     angle   (122.829, -85.985,  43.246)  (122.846, -85.974,  43.248)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.391,  -1.784,  -5.935)  ( -0.390,  -1.782,  -5.918)  ( 0.01,  0.11,  0.29)
181:     oop     ( -0.156,   0.401,   1.216)  ( -0.129,   0.331,   1.004)  ( 0.42,  2.81, 17.45)
181:     vdw     ( 18.922, -52.258,  26.438)  ( 18.925, -52.258,  26.438)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       (  3.198,   9.195,  -4.323)  (  3.204,   9.206,  -4.326)  ( 0.19,  0.12,  0.07)
181:     bond    (  0.210,  14.965,  -4.957)  (  0.211,  14.979,  -4.956)  ( 0.00,  0.09,  0.03)
181:     angle   (-14.465,  -0.365,  -1.719)  (-14.461,  -0.365,  -1.719)  ( 0.03,  0.00,  0.00)
181:     torsion (  0.130,  -0.332,  -1.002)  (  0.130,  -0.332,  -0.997)  ( 0.00,  0.02,  0.45)
181:     oop     ( -0.007,   0.018,   0.053)  ( -0.006,   0.015,   0.044)  ( 0.00,  0.01,  0.05)
181:     vdw     ( 17.329,  -5.091,   3.301)  ( 17.330,  -5.090,   3.301)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       ( 17.048, -54.468,  19.577)  ( 17.058, -54.447,  19.617)  ( 0.06,  0.04,  0.21)
181:     bond    ( 38.909, -24.186,  13.345)  ( 38.921, -24.181,  13.346)  ( 0.03,  0.02,  0.01)
181:     angle   ( 26.991,  38.282,  -9.354)  ( 26.993,  38.285,  -9.354)  ( 0.01,  0.01,  0.00)
181:     torsion (  1.051,  -2.570,  -7.725)  (  1.051,  -2.570,  -7.722)  ( 0.01,  0.01,  0.04)
181:     oop     (  0.031,  -0.077,  -0.230)  (  0.026,  -0.065,  -0.195)  ( 0.02,  0.09,  0.82)
181:     vdw     (-49.934, -65.917,  23.541)  (-49.933, -65.916,  23.542)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       (278.663,   5.967, 262.660)  (278.204,   9.369, 253.668)  ( 0.16, 57.02,  3.42)
181:     bond    (180.951,  70.243, 137.128)  (180.987,  70.270, 137.138)  ( 0.02,  0.04,  0.01)
181:     angle   ( 82.812, -42.011, 198.186)  ( 82.825, -41.995, 198.196)  ( 0.02,  0.04,  0.01)
181:     torsion ( 18.286,  -3.713, -101.874)  ( 18.286,  -3.712, -101.868)  ( 0.00,  0.03,  0.01)
181:     oop     (  1.318, -11.030,  27.670)  (  0.809,  -7.673,  18.651)  (38.58, 30.44, 32.59)
181:     vdw     ( -4.704,  -7.522,   1.551)  ( -4.704,  -7.521,   1.551)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       ( 84.082, -105.411, -282.117)  ( 84.177, -105.539, -282.518)  ( 0.11,  0.12,  0.14)
181:     bond    (-11.281, -124.452,  87.022)  (-11.271, -124.418,  87.044)  ( 0.08,  0.03,  0.02)
181:     angle   (160.110,   8.205, -361.401)  (160.118,   8.215, -361.388)  ( 0.00,  0.11,  0.00)
181:     torsion (-43.213, -25.781,   2.923)  (-43.215, -25.781,   2.925)  ( 0.01,  0.00,  0.06)
181:     oop     ( -0.470,   0.957,   2.442)  ( -0.392,   0.785,   2.004)  ( 3.68, 16.40, 17.91)
181:     vdw     (-21.064,  35.661, -13.103)  (-21.063,  35.661, -13.103)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (-42.175, -64.158,  24.966)  (-42.160, -64.153,  24.962)  ( 0.04,  0.01,  0.02)
181:     bond    ( 13.563,  -8.815,   6.597)  ( 13.572,  -8.811,   6.599)  ( 0.07,  0.04,  0.03)
181:     angle   (-45.163, -62.520,   9.406)  (-45.161, -62.517,   9.406)  ( 0.00,  0.00,  0.00)
181:     torsion ( -4.924,   6.352,  18.603)  ( -4.924,   6.352,  18.606)  ( 0.01,  0.01,  0.02)
181:     oop     ( -0.021,   0.027,   0.078)  ( -0.018,   0.023,   0.068)  ( 0.01,  0.01,  0.08)
181:     vdw     ( -5.630,   0.799,  -9.718)  ( -5.629,   0.800,  -9.718)  ( 0.02,  0.10,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       ( 67.449, -41.898, -169.761)  ( 67.635, -43.654, -167.348)  ( 0.28,  4.19,  1.42)
181:     bond    ( 97.077, -132.695, -184.757)  ( 97.096, -132.670, -184.735)  ( 0.02,  0.02,  0.01)
181:     angle   ( 16.888,  31.742,  -3.539)  ( 16.903,  31.755,  -3.528)  ( 0.09,  0.04,  0.33)
181:     torsion (-24.977,  16.521,  -6.853)  (-24.976,  16.522,  -6.851)  ( 0.01,  0.01,  0.03)
181:     oop     ( -0.353,   5.757,  -7.625)  ( -0.205,   3.961,  -5.249)  ( 5.25, 31.20, 31.17)
181:     vdw     (-21.185,  36.777,  33.015)  (-21.184,  36.777,  33.015)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       (-42.589, 167.344, -55.096)  (-43.025, 166.640, -51.907)  ( 1.02,  0.42,  5.79)
181:     bond    (-111.773, 201.469, -32.121)  (-111.748, 201.491, -32.102)  ( 0.02,  0.01,  0.06)
181:     angle   (  5.513, -26.008, -36.202)  (  5.527, -25.993, -36.190)  ( 0.24,  0.06,  0.03)
181:     torsion ( -0.714,  -9.763,  60.169)  ( -0.713,  -9.761,  60.171)  ( 0.06,  0.02,  0.00)
181:     oop     (  1.667,   2.637,  -9.518)  (  1.190,   1.892,  -6.363)  (28.60, 28.23, 33.15)
181:     vdw     ( 62.718,  -0.991, -37.423)  ( 62.719,  -0.989, -37.423)  ( 0.00,  0.21,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (-33.512,  23.063,  -3.966)  (-33.501,  23.071,  -3.963)  ( 0.03,  0.03,  0.09)
181:     bond    (-31.077,  20.848,  -2.732)  (-31.067,  20.852,  -2.732)  ( 0.03,  0.02,  0.00)
181:     angle   (-15.774, -26.485, -22.772)  (-15.773, -26.483, -22.770)  ( 0.01,  0.01,  0.01)
181:     torsion (  2.488,   4.108,   3.058)  (  2.488,   4.108,   3.058)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.851,  24.593,  18.480)  ( 10.851,  24.594,  18.480)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       ( 10.571, -19.110,  36.550)  ( 10.574, -19.105,  36.563)  ( 0.03,  0.03,  0.04)
181:     bond    (  2.555,  -9.282,  29.641)  (  2.555,  -9.281,  29.653)  ( 0.00,  0.01,  0.04)
181:     angle   (  9.571,  -6.146,  -2.748)  (  9.573,  -6.143,  -2.747)  ( 0.03,  0.06,  0.01)
181:     torsion (  3.442, -10.375,  -3.544)  (  3.442, -10.375,  -3.544)  ( 0.02,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.997,   6.693,  13.201)  ( -4.997,   6.693,  13.201)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       ( 19.423,   7.923,   3.579)  ( 19.832,   8.669,  -1.831)  ( 2.10,  9.42, 151.16)
181:     bond    ( 17.215, -149.752,  27.789)  ( 17.241, -149.732,  27.807)  ( 0.15,  0.01,  0.07)
181:     angle   (  7.197,  94.829, -53.684)  (  7.210,  94.843, -53.673)  ( 0.18,  0.02,  0.02)
181:     torsion (  1.418,   9.176,   1.378)  (  1.419,   9.178,   1.380)  ( 0.04,  0.01,  0.12)
181:     oop     ( -0.780,  -1.502,  11.549)  ( -0.412,  -0.793,   6.107)  (28.72, 47.20, 47.12)
181:     vdw     ( -5.626,  55.172,  16.547)  ( -5.626,  55.173,  16.548)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       (  1.060, -29.258, -33.345)  (  1.064, -29.248, -33.337)  ( 0.43,  0.03,  0.02)
181:     bond    ( -0.887, -26.615, -23.717)  ( -0.888, -26.607, -23.711)  ( 0.01,  0.03,  0.03)
181:     angle   (-18.258,  -0.087,   0.779)  (-18.254,  -0.086,   0.780)  ( 0.02,  0.01,  0.11)
181:     torsion (  5.322,  -1.135,   1.073)  (  5.323,  -1.134,   1.074)  ( 0.01,  0.03,  0.04)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 14.883,  -1.420, -11.480)  ( 14.883,  -1.420, -11.480)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       ( 13.145,  18.444,  16.037)  ( 11.955,  21.723,  11.825)  ( 9.06, 17.78, 26.26)
181:     bond    (-94.231,  40.802, 117.863)  (-94.212,  40.826, 117.885)  ( 0.02,  0.06,  0.02)
181:     angle   ( 50.490,  12.886, -87.023)  ( 50.504,  12.899, -87.011)  ( 0.03,  0.10,  0.01)
181:     torsion (  8.637,  -1.660,  -3.054)  (  8.638,  -1.660,  -3.052)  ( 0.01,  0.05,  0.05)
181:     oop     (  2.615,  -6.878,   9.013)  (  1.389,  -3.638,   4.766)  (46.87, 47.11, 47.12)
181:     vdw     ( 45.634, -26.705, -20.762)  ( 45.635, -26.705, -20.762)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       ( 13.802,   5.192,  43.786)  ( 13.807,   5.198,  43.798)  ( 0.04,  0.10,  0.03)
181:     bond    (  5.791, -12.703,  30.382)  (  5.791, -12.701,  30.394)  ( 0.00,  0.01,  0.04)
181:     angle   (-16.364,   4.009,   4.793)  (-16.360,   4.012,   4.793)  ( 0.02,  0.05,  0.01)
181:     torsion ( -7.294,   3.616,   2.901)  ( -7.294,   3.617,   2.901)  ( 0.00,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 31.670,  10.269,   5.710)  ( 31.670,  10.270,   5.710)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       (-226.813, -179.102,  52.340)  (-221.922, -183.663,  68.873)  ( 2.16,  2.55, 31.59)
181:     bond    (-177.616, -107.417, -25.193)  (-177.588, -107.390, -25.182)  ( 0.02,  0.03,  0.04)
181:     angle   (-45.676, -83.275, 105.305)  (-45.666, -83.266, 105.315)  ( 0.02,  0.01,  0.01)
181:     torsion ( -6.273,  -6.860,   7.241)  ( -6.273,  -6.860,   7.242)  ( 0.01,  0.01,  0.02)
181:     oop     (-10.324,   9.769, -35.043)  ( -5.472,   5.171, -18.531)  (47.00, 47.06, 47.12)
181:     vdw     ( 13.077,   8.681,   0.030)  ( 13.077,   8.682,   0.030)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       (-14.391,   7.028, -45.466)  (-14.387,   7.032, -45.454)  ( 0.03,  0.07,  0.03)
181:     bond    ( -5.154,  13.357, -29.996)  ( -5.153,  13.359, -29.984)  ( 0.00,  0.02,  0.04)
181:     angle   ( -2.656,  -8.614,  -3.382)  ( -2.652,  -8.612,  -3.381)  ( 0.15,  0.02,  0.02)
181:     torsion (  3.759, -15.013,  -7.335)  (  3.759, -15.012,  -7.334)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.341,  17.298,  -4.754)  (-10.340,  17.298,  -4.754)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( -5.253,  36.842,  25.540)  ( -5.248,  36.851,  25.547)  ( 0.08,  0.03,  0.03)
181:     bond    (  2.097,  29.406,  25.397)  (  2.096,  29.414,  25.403)  ( 0.01,  0.03,  0.02)
181:     angle   ( -4.491,  -4.048,   5.055)  ( -4.486,  -4.047,   5.056)  ( 0.09,  0.03,  0.03)
181:     torsion ( -3.188,   5.779,  -6.429)  ( -3.188,   5.779,  -6.429)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.330,   5.705,   1.517)  (  0.330,   5.705,   1.517)  ( 0.01,  0.00,  0.00)
180/223 Test #179: test_ffmmff94_5 ..................   Passed    1.67 sec
test 182
        Start 182: test_formalcharge_1

182: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "formalcharge" "1"
182: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
182: Environment variables: 
182:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
182:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
182: Test timeout computed to be: 1500
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       ( 35.113, -27.798,  -3.420)  ( 35.124, -27.791,  -3.417)  ( 0.03,  0.02,  0.09)
181:     bond    ( 33.176, -19.737,   2.161)  ( 33.186, -19.733,   2.160)  ( 0.03,  0.02,  0.01)
181:     angle   ( -3.776,  -5.907,   4.053)  ( -3.775,  -5.904,   4.056)  ( 0.02,  0.05,  0.07)
181:     torsion (  0.494,   0.030,  -7.310)  (  0.494,   0.030,  -7.309)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.219,  -2.184,  -2.324)  (  5.219,  -2.184,  -2.324)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (-17.885,  11.410, -42.928)  (-17.882,  11.416, -42.915)  ( 0.02,  0.05,  0.03)
181:     bond    ( -3.438,   9.943, -31.450)  ( -3.438,   9.945, -31.438)  ( 0.00,  0.01,  0.04)
181:     angle   (-10.542,   1.949,   1.770)  (-10.540,   1.953,   1.770)  ( 0.02,  0.18,  0.02)
181:     torsion (-10.875,   9.024,   4.044)  (-10.875,   9.025,   4.044)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  6.970,  -9.506, -17.292)  (  6.970,  -9.506, -17.291)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       ( 95.444,  75.761, -29.268)  ( 91.463,  76.420, -36.087)  ( 4.17,  0.87, 23.30)
181:     bond    ( 79.454,  68.430, -40.021)  ( 79.465,  68.438, -40.019)  ( 0.01,  0.01,  0.01)
181:     angle   (-13.089,   3.160, -20.582)  (-13.088,   3.162, -20.580)  ( 0.01,  0.08,  0.01)
181:     torsion (  5.630,  -0.653,  10.064)  (  5.630,  -0.653,  10.064)  ( 0.00,  0.01,  0.00)
181:     oop     (  8.489,  -1.389,  14.481)  (  4.494,  -0.740,   7.658)  (47.06, 46.69, 47.11)
181:     vdw     ( 14.961,   6.212,   6.789)  ( 14.961,   6.213,   6.789)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       (189.454, -110.770,  76.092)  (189.503, -110.748,  75.776)  ( 0.03,  0.02,  0.42)
181:     bond    ( -2.952, -17.848,   0.346)  ( -2.951, -17.815,   0.346)  ( 0.03,  0.18,  0.00)
181:     angle   (134.063, -21.890,  16.377)  (134.071, -21.890,  16.377)  ( 0.01,  0.00,  0.00)
181:     torsion ( -5.870,   1.961,  50.922)  ( -5.870,   1.961,  50.924)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.172,   0.057,   1.440)  ( -0.135,   0.044,   1.123)  ( 0.65,  0.07, 21.99)
181:     vdw     ( 64.385, -73.050,   7.007)  ( 64.387, -73.048,   7.006)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       (-114.085, -436.257,  -8.826)  (-114.031, -436.226,  -8.959)  ( 0.05,  0.01,  1.51)
181:     bond    (-43.893, -58.475,  -1.380)  (-43.862, -58.455,  -1.379)  ( 0.07,  0.03,  0.06)
181:     angle   (-17.582, -340.487,  16.912)  (-17.577, -340.471,  16.914)  ( 0.03,  0.00,  0.01)
181:     torsion (  3.958,  -1.494, -32.890)  (  3.958,  -1.494, -32.888)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.137,   0.049,   1.124)  ( -0.120,   0.043,   0.986)  ( 0.23,  0.03, 12.29)
181:     vdw     (-56.431, -35.849,   7.408)  (-56.430, -35.849,   7.408)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       (-145.580, 277.134, -34.469)  (-145.559, 277.149, -34.468)  ( 0.01,  0.01,  0.00)
181:     bond    ( 58.595,  46.521,   3.695)  ( 58.611,  46.531,   3.696)  ( 0.03,  0.02,  0.01)
181:     angle   (-126.434, 161.100, -23.313)  (-126.430, 161.103, -23.313)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.371,  -0.199,  -3.388)  (  0.371,  -0.199,  -3.387)  ( 0.00,  0.00,  0.03)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-78.112,  69.712, -11.463)  (-78.110,  69.713, -11.464)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       (-187.163, -27.561,  60.499)  (-187.130, -27.545,  60.523)  ( 0.02,  0.06,  0.04)
181:     bond    ( 15.389, -25.488, -12.365)  ( 15.417, -25.476, -12.350)  ( 0.18,  0.05,  0.12)
181:     angle   (-175.348, -38.674,  66.261)  (-175.342, -38.668,  66.270)  ( 0.00,  0.01,  0.01)
181:     torsion (-31.171,  14.161,   5.951)  (-31.172,  14.159,   5.949)  ( 0.00,  0.02,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.967,  22.439,   0.652)  (  3.967,  22.440,   0.652)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       (133.139,  15.824, 156.200)  (133.159,  15.846, 156.232)  ( 0.02,  0.13,  0.02)
181:     bond    (  1.917, -24.367, -14.029)  (  1.935, -24.350, -14.008)  ( 0.91,  0.07,  0.15)
181:     angle   (106.617,   4.098, 150.618)  (106.621,   4.105, 150.629)  ( 0.00,  0.15,  0.01)
181:     torsion ( 35.985,  22.581,  18.000)  ( 35.983,  22.579,  17.999)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-11.380,  13.512,   1.610)  (-11.380,  13.513,   1.610)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 38       ( 62.861,  47.608, -92.087)  ( 62.865,  47.613, -92.079)  ( 0.01,  0.01,  0.01)
181:     bond    (-24.635,  43.305, -50.958)  (-24.634,  43.309, -50.951)  ( 0.01,  0.01,  0.01)
181:     angle   ( 70.576,   3.937, -30.777)  ( 70.578,   3.938, -30.776)  ( 0.00,  0.01,  0.00)
181:     torsion ( 21.159,  -0.459, -10.620)  ( 21.158,  -0.459, -10.620)  ( 0.00,  0.02,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.238,   0.825,   0.267)  ( -4.238,   0.825,   0.267)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 39       ( 19.472, -70.371, 100.393)  ( 19.480, -70.369, 100.400)  ( 0.04,  0.00,  0.01)
181:     bond    (-48.674, -18.329,  48.688)  (-48.668, -18.329,  48.694)  ( 0.01,  0.00,  0.01)
181:     angle   ( 53.644, -47.965,  35.561)  ( 53.645, -47.964,  35.563)  ( 0.00,  0.00,  0.00)
181:     torsion ( 18.791,  -9.332,  15.268)  ( 18.791,  -9.332,  15.268)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.289,   5.255,   0.875)  ( -4.289,   5.255,   0.875)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 40       ( -2.451,  37.590, -114.230)  ( -2.447,  37.597, -114.225)  ( 0.18,  0.02,  0.00)
181:     bond    ( 38.547,  52.842, -29.733)  ( 38.551,  52.849, -29.730)  ( 0.01,  0.01,  0.01)
181:     angle   (-35.447, -11.705, -66.772)  (-35.446, -11.705, -66.769)  ( 0.00,  0.00,  0.00)
181:     torsion ( -8.694,  -5.083, -20.310)  ( -8.695,  -5.083, -20.310)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.143,   1.536,   2.584)  (  3.143,   1.537,   2.584)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 41       (-53.959, -84.045,  72.544)  (-53.957, -84.043,  72.557)  ( 0.00,  0.00,  0.02)
181:     bond    ( 13.120, -10.545,  68.597)  ( 13.120, -10.545,  68.610)  ( 0.00,  0.00,  0.02)
181:     angle   (-50.377, -58.390,   0.659)  (-50.376, -58.387,   0.659)  ( 0.00,  0.00,  0.00)
181:     torsion (-20.091, -17.796,   1.107)  (-20.091, -17.796,   1.107)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.390,   2.685,   2.181)  (  3.390,   2.685,   2.181)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 42       ( 24.269,  89.804, -56.022)  ( 24.271,  89.808, -56.009)  ( 0.00,  0.01,  0.02)
181:     bond    ( 17.871,   1.513, -55.564)  ( 17.872,   1.513, -55.552)  ( 0.01,  0.02,  0.02)
181:     angle   ( -5.898,  61.600,  -0.220)  ( -5.897,  61.605,  -0.220)  ( 0.01,  0.01,  0.00)
181:     torsion ( 11.599,  28.029,   4.495)  ( 11.598,  28.029,   4.494)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.697,  -1.338,  -4.732)  (  0.697,  -1.338,  -4.732)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 24 # gradients 
181: ok 25 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (-105.174, -144.268, -14.253)  (-105.139, -144.236, -14.237)  ( 0.03,  0.02,  0.11)
181:     bond    ( 10.278, -33.838,  -0.603)  ( 10.305, -33.816,  -0.603)  ( 0.26,  0.06,  0.04)
181:     angle   (-116.113, -109.997, -17.391)  (-116.106, -109.987, -17.391)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.359,  -0.205,   3.663)  ( -0.358,  -0.205,   3.677)  ( 0.01,  0.00,  0.39)
181:     oop     ( -0.004,  -0.003,   0.036)  ( -0.004,  -0.003,   0.037)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.024,  -0.225,   0.043)  (  1.024,  -0.225,   0.043)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (153.731, -28.974,  22.362)  (153.756, -28.939,  22.490)  ( 0.02,  0.12,  0.57)
181:     bond    (164.318, -90.976,  13.729)  (164.344, -90.949,  13.730)  ( 0.02,  0.03,  0.01)
181:     angle   ( -2.354,  65.055,   3.163)  ( -2.344,  65.069,   3.163)  ( 0.43,  0.02,  0.01)
181:     torsion ( -0.759,  -0.446,   6.049)  ( -0.759,  -0.446,   6.069)  ( 0.02,  0.00,  0.32)
181:     oop     (  0.070,   0.034,  -0.590)  (  0.057,   0.028,  -0.483)  ( 0.09,  0.02,  6.34)
181:     vdw     ( -7.543,  -2.641,   0.012)  ( -7.543,  -2.641,   0.012)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (-196.107,  57.985,  24.397)  (-196.048,  58.038,  24.240)  ( 0.03,  0.09,  0.64)
181:     bond    (-125.927, 114.595,  -7.662)  (-125.899, 114.622,  -7.661)  ( 0.02,  0.02,  0.02)
181:     angle   (-10.976, -97.837,  -9.535)  (-10.962, -97.823,  -9.532)  ( 0.13,  0.01,  0.02)
181:     torsion ( -4.310,  -1.339,  47.040)  ( -4.310,  -1.339,  47.053)  ( 0.00,  0.00,  0.03)
181:     oop     ( -0.106,  -0.070,   1.089)  ( -0.090,  -0.059,   0.916)  ( 0.17,  0.08, 15.84)
181:     vdw     (-54.788,  42.635,  -6.536)  (-54.787,  42.636,  -6.536)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       ( 21.003, -132.495, -21.471)  ( 21.009, -132.491, -21.075)  ( 0.03,  0.00,  1.85)
181:     bond    ( 25.927, -12.270,   1.359)  ( 25.949, -12.244,   1.360)  ( 0.09,  0.22,  0.03)
181:     angle   ( 35.206, -105.041,  15.337)  ( 35.221, -105.032,  15.339)  ( 0.04,  0.01,  0.01)
181:     torsion (  0.139,  -0.196, -37.773)  (  0.139,  -0.196, -37.760)  ( 0.00,  0.00,  0.03)
181:     oop     (  0.200,   0.174,  -2.187)  (  0.167,   0.142,  -1.805)  ( 0.66,  0.55, 17.44)
181:     vdw     (-40.469, -15.160,   1.792)  (-40.468, -15.160,   1.792)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-36.779, -70.807, -60.582)  (-34.794, -71.395, -56.096)  ( 5.40,  0.83,  7.41)
181:     bond    ( 74.777, -164.063, -84.429)  ( 74.801, -164.041, -84.409)  ( 0.03,  0.01,  0.02)
181:     angle   (-56.723,  75.522,  43.546)  (-56.709,  75.538,  43.556)  ( 0.02,  0.02,  0.02)
181:     torsion (  3.568,  -6.797, -17.456)  (  3.568,  -6.798, -17.454)  ( 0.00,  0.01,  0.01)
181:     oop     ( -4.447,   1.389, -10.142)  ( -2.501,   0.762,  -5.688)  (43.75, 45.13, 43.92)
181:     vdw     (-53.954,  23.142,   7.899)  (-53.953,  23.143,   7.899)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       ( 69.444, 172.988, -10.700)  ( 69.471, 173.014, -10.791)  ( 0.04,  0.02,  0.85)
181:     bond    (-21.543,  30.190,  -0.859)  (-21.529,  30.205,  -0.859)  ( 0.07,  0.05,  0.02)
181:     angle   ( 91.827, 137.422,  14.678)  ( 91.830, 137.425,  14.679)  ( 0.00,  0.00,  0.01)
181:     torsion (  2.672,   2.007, -24.878)  (  2.672,   2.007, -24.874)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.069,  -0.054,   0.642)  ( -0.058,  -0.045,   0.545)  ( 0.07,  0.05,  6.20)
181:     vdw     ( -3.444,   3.422,  -0.282)  ( -3.444,   3.422,  -0.282)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       ( 54.309,  31.278,  -7.125)  ( 52.239,  30.102, -21.105)  ( 3.81,  3.76, 196.20)
181:     bond    ( 77.926,  42.082, 172.758)  ( 77.956,  42.113, 172.767)  ( 0.04,  0.07,  0.01)
181:     angle   (-64.578, -12.164, -200.161)  (-64.567, -12.152, -200.149)  ( 0.02,  0.10,  0.01)
181:     torsion (  8.066,  -4.164, -21.071)  (  8.067,  -4.164, -21.071)  ( 0.00,  0.00,  0.00)
181:     oop     (  5.072,   2.613,  31.589)  (  2.959,   1.395,  17.586)  (41.66, 46.64, 44.33)
181:     vdw     ( 27.823,   2.910,   9.761)  ( 27.824,   2.911,   9.761)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       ( -2.798,  31.950, -24.954)  ( -2.794,  31.961, -24.949)  ( 0.17,  0.04,  0.02)
181:     bond    (  0.865,  37.377, -18.440)  (  0.865,  37.389, -18.437)  ( 0.02,  0.03,  0.01)
181:     angle   ( 28.069,  -8.888, -16.708)  ( 28.073,  -8.888, -16.706)  ( 0.01,  0.01,  0.01)
181:     torsion (  2.389,  -0.908,  -1.729)  (  2.389,  -0.908,  -1.730)  ( 0.00,  0.01,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-34.121,   4.368,  11.923)  (-34.120,   4.368,  11.924)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       ( -2.250,  12.393,  41.148)  ( -2.246,  12.396,  41.161)  ( 0.19,  0.02,  0.03)
181:     bond    (  4.780,   4.268,  30.232)  (  4.780,   4.268,  30.245)  ( 0.00,  0.00,  0.04)
181:     angle   ( 16.232, -17.244,  -0.133)  ( 16.236, -17.241,  -0.133)  ( 0.02,  0.02,  0.00)
181:     torsion ( -5.400,   9.053,  -0.424)  ( -5.400,   9.053,  -0.424)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-17.862,  16.316,  11.473)  (-17.862,  16.317,  11.473)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (  4.355, -18.419, -24.741)  (  5.319, -16.378, -20.159)  (22.12, 11.08, 18.52)
181:     bond    (-102.642, 129.702, -111.077)  (-102.623, 129.728, -111.057)  ( 0.02,  0.02,  0.02)
181:     angle   ( 75.638, -71.325,  99.210)  ( 75.652, -71.312,  99.221)  ( 0.02,  0.02,  0.01)
181:     torsion (  8.695,  -4.828, -10.298)  (  8.695,  -4.827, -10.297)  ( 0.01,  0.01,  0.01)
181:     oop     ( -2.278,  -4.478, -10.233)  ( -1.350,  -2.478,  -5.685)  (40.72, 44.66, 44.45)
181:     vdw     ( 24.943, -67.490,   7.658)  ( 24.944, -67.489,   7.658)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       ( 63.010,  99.225,  20.093)  ( 63.056,  99.274,  19.959)  ( 0.07,  0.05,  0.66)
181:     bond    ( 79.413,  99.565,  30.684)  ( 79.432,  99.585,  30.703)  ( 0.02,  0.02,  0.06)
181:     angle   ( -9.952,  30.935, -40.453)  ( -9.940,  30.948, -40.444)  ( 0.12,  0.04,  0.02)
181:     torsion ( -3.372,  -4.783,  32.081)  ( -3.372,  -4.782,  32.085)  ( 0.02,  0.02,  0.01)
181:     oop     ( -0.063,  -0.069,   0.766)  ( -0.049,  -0.054,   0.602)  ( 0.08,  0.10, 12.59)
181:     vdw     ( -3.016, -26.423,  -2.986)  ( -3.016, -26.422,  -2.986)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       ( 37.547, -27.696,   4.109)  ( 37.556, -27.688,   4.113)  ( 0.03,  0.03,  0.09)
181:     bond    ( 28.298, -24.654, -12.032)  ( 28.305, -24.649, -12.031)  ( 0.02,  0.02,  0.01)
181:     angle   ( 22.190,  33.253, -15.922)  ( 22.192,  33.255, -15.920)  ( 0.01,  0.01,  0.02)
181:     torsion ( -2.195, -14.384,  24.305)  ( -2.195, -14.384,  24.306)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.747, -21.911,   7.758)  (-10.746, -21.910,   7.758)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (-11.344,  26.770,  42.444)  (-11.341,  26.774,  42.458)  ( 0.03,  0.02,  0.03)
181:     bond    (  2.456,   2.184,  29.140)  (  2.456,   2.184,  29.154)  ( 0.00,  0.00,  0.05)
181:     angle   ( -9.382,  12.875,  -0.175)  ( -9.380,  12.879,  -0.175)  ( 0.03,  0.03,  0.00)
181:     torsion (-13.673,  31.478,  -1.206)  (-13.673,  31.478,  -1.206)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  9.254, -19.767,  14.685)  (  9.255, -19.767,  14.685)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       (-22.304,   3.401, -47.032)  (-22.301,   3.406, -47.020)  ( 0.02,  0.14,  0.03)
181:     bond    (  2.349, -14.286, -31.725)  (  2.349, -14.284, -31.714)  ( 0.00,  0.02,  0.04)
181:     angle   (  2.309,   3.874,  -1.575)  (  2.312,   3.876,  -1.575)  ( 0.13,  0.05,  0.03)
181:     torsion (-21.642,  16.962,  -9.243)  (-21.642,  16.962,  -9.243)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.320,  -3.149,  -4.488)  ( -5.320,  -3.149,  -4.488)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       (  4.077, -33.813,  26.813)  (  4.081, -33.804,  26.821)  ( 0.09,  0.03,  0.03)
181:     bond    ( -6.848, -27.243,  24.405)  ( -6.848, -27.236,  24.411)  ( 0.00,  0.03,  0.02)
181:     angle   (-10.498,   9.945,   8.151)  (-10.495,   9.946,   8.153)  ( 0.03,  0.01,  0.02)
181:     torsion ( 24.181, -10.781,  -5.244)  ( 24.181, -10.780,  -5.244)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.757,  -5.734,  -0.499)  ( -2.757,  -5.734,  -0.499)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       ( 11.733,  55.009,  10.634)  ( 11.749,  55.015,  10.625)  ( 0.13,  0.01,  0.09)
181:     bond    ( -1.222,   0.315,  -0.136)  ( -1.208,   0.316,  -0.136)  ( 1.13,  0.03,  0.00)
181:     angle   ( 14.081,  55.806,   4.778)  ( 14.081,  55.810,   4.778)  ( 0.00,  0.01,  0.00)
181:     torsion ( -0.765,  -0.332,   6.032)  ( -0.765,  -0.332,   6.036)  ( 0.01,  0.00,  0.07)
181:     oop     ( -0.007,  -0.003,   0.058)  ( -0.006,  -0.002,   0.045)  ( 0.00,  0.00,  0.08)
181:     vdw     ( -0.355,  -0.778,  -0.098)  ( -0.354,  -0.778,  -0.098)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       ( 10.482,  -3.158,   6.402)  ( 10.492,  -3.140,   6.353)  ( 0.10,  0.57,  0.76)
181:     bond    (  0.414,  -4.930,  -0.217)  (  0.414,  -4.915,  -0.217)  ( 0.01,  0.30,  0.00)
181:     angle   ( 12.011,   0.962,   1.115)  ( 12.015,   0.962,   1.115)  ( 0.03,  0.00,  0.01)
181:     torsion ( -0.601,  -0.285,   5.301)  ( -0.601,  -0.285,   5.307)  ( 0.00,  0.00,  0.10)
181:     oop     ( -0.029,  -0.013,   0.242)  ( -0.022,  -0.010,   0.188)  ( 0.02,  0.00,  1.30)
181:     vdw     ( -1.313,   1.108,  -0.039)  ( -1.312,   1.108,  -0.039)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       ( 30.780, 158.107,  64.874)  ( 30.139, 157.939,  69.869)  ( 2.08,  0.11,  7.70)
181:     bond    (-95.903,  15.782, -199.133)  (-95.875,  15.805, -199.113)  ( 0.03,  0.14,  0.01)
181:     angle   (118.197, 123.500, 291.853)  (118.211, 123.516, 291.869)  ( 0.01,  0.01,  0.01)
181:     torsion ( -3.589,  -2.850,  -0.620)  ( -3.588,  -2.848,  -0.620)  ( 0.01,  0.08,  0.03)
181:     oop     (  1.121,   0.814, -10.905)  (  0.437,   0.604,  -5.947)  (61.03, 17.03, 45.47)
181:     vdw     ( 10.954,  20.861, -16.321)  ( 10.955,  20.862, -16.320)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       (-37.631, -20.339, -59.768)  (-37.591, -20.305, -59.727)  ( 0.11,  0.17,  0.07)
181:     bond    (-19.638,  14.035,  -5.470)  (-19.621,  14.046,  -5.441)  ( 0.09,  0.08,  0.52)
181:     angle   (  2.156, -75.195, -60.635)  (  2.166, -75.187, -60.622)  ( 0.48,  0.01,  0.02)
181:     torsion (-13.317, -12.946,  -5.513)  (-13.310, -12.934,  -5.513)  ( 0.06,  0.09,  0.00)
181:     oop     ( -0.048,  -0.052,   0.010)  ( -0.045,  -0.050,   0.008)  ( 0.02,  0.01,  0.00)
181:     vdw     ( -6.784,  53.819,  11.841)  ( -6.782,  53.820,  11.841)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       (-154.713, -430.872, -83.506)  (-155.090, -430.681, -83.227)  ( 0.24,  0.04,  0.33)
181:     bond    (-41.612, -139.052,   9.393)  (-41.596, -139.020,   9.422)  ( 0.04,  0.02,  0.31)
181:     angle   (-177.794, -307.617, -108.703)  (-177.788, -307.598, -108.689)  ( 0.00,  0.01,  0.01)
181:     torsion (  9.314,   0.875,   4.567)  (  9.313,   0.875,   4.567)  ( 0.01,  0.00,  0.00)
181:     oop     (  2.243,  -0.776,  -1.306)  (  1.843,  -0.636,  -1.070)  (17.81, 10.85, 18.03)
181:     vdw     ( 53.137,  15.698,  12.543)  ( 53.138,  15.699,  12.543)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       ( 23.892, -31.275,  44.425)  ( 23.897, -31.271,  44.438)  ( 0.02,  0.01,  0.03)
181:     bond    (  3.796,   4.971,  35.728)  (  3.796,   4.971,  35.742)  ( 0.00,  0.00,  0.04)
181:     angle   ( 25.011, -40.894,   3.030)  ( 25.015, -40.891,   3.030)  ( 0.02,  0.01,  0.00)
181:     torsion ( -1.992, -20.942,   3.124)  ( -1.993, -20.942,   3.124)  ( 0.03,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.923,  25.590,   2.541)  ( -2.922,  25.591,   2.542)  ( 0.04,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (-51.578,  14.808, -28.254)  (-51.561,  14.816, -28.214)  ( 0.03,  0.05,  0.14)
181:     bond    ( 21.566, -14.742,  79.018)  ( 21.583, -14.732,  79.046)  ( 0.08,  0.07,  0.04)
181:     angle   (-29.990,  22.642, -44.609)  (-29.981,  22.647, -44.598)  ( 0.03,  0.02,  0.03)
181:     torsion ( -7.402,  -9.999,   0.215)  ( -7.394,  -9.985,   0.215)  ( 0.10,  0.14,  0.00)
181:     oop     (  0.114,   0.145,  -0.000)  (  0.097,   0.123,  -0.000)  ( 0.20,  0.31,  0.00)
181:     vdw     (-35.866,  16.762, -62.877)  (-35.865,  16.763, -62.877)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       ( -9.338,  -0.423, -19.364)  ( -9.298,  -0.387, -19.323)  ( 0.42,  1.55,  0.21)
181:     bond    (-22.601,  16.510,  33.915)  (-22.583,  16.521,  33.940)  ( 0.08,  0.07,  0.07)
181:     angle   (  9.256,  -6.399,  21.189)  (  9.262,  -6.395,  21.204)  ( 0.07,  0.06,  0.07)
181:     torsion ( -3.635,  -4.954,   0.185)  ( -3.627,  -4.941,   0.185)  ( 0.21,  0.28,  0.00)
181:     oop     ( -0.037,  -0.049,  -0.001)  ( -0.030,  -0.040,  -0.000)  ( 0.02,  0.04,  0.00)
181:     vdw     (  7.680,  -5.532, -74.653)  (  7.679,  -5.532, -74.651)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       ( 14.625,  -7.992,  -3.371)  ( 14.695,  -7.915,  -3.331)  ( 0.48,  0.96,  1.18)
181:     bond    (-19.694,  14.338,  19.140)  (-19.678,  14.348,  19.169)  ( 0.08,  0.07,  0.15)
181:     angle   (-13.808,  10.641,   1.140)  (-13.800,  10.646,   1.151)  ( 0.06,  0.05,  0.92)
181:     torsion (  2.277,   2.841,   0.060)  (  2.285,   2.855,   0.060)  ( 0.34,  0.48,  0.00)
181:     oop     ( -0.215,  -0.283,  -0.004)  ( -0.179,  -0.235,  -0.003)  ( 0.77,  1.35,  0.00)
181:     vdw     ( 46.065, -35.530, -23.708)  ( 46.065, -35.529, -23.707)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       ( 11.032,  -8.892,   3.661)  ( 11.029,  -8.910,   3.700)  ( 0.03,  0.21,  1.08)
181:     bond    (-43.220,  33.860,  -7.922)  (-43.203,  33.871,  -7.894)  ( 0.04,  0.03,  0.35)
181:     angle   (  5.370,  -2.751, -38.560)  (  5.378,  -2.746, -38.548)  ( 0.15,  0.17,  0.03)
181:     torsion ( -1.231,  -1.470,   0.029)  ( -1.223,  -1.457,   0.029)  ( 0.66,  0.90,  0.00)
181:     oop     (  0.244,   0.314,   0.008)  (  0.207,   0.266,   0.007)  ( 0.90,  1.49,  0.00)
181:     vdw     ( 49.870, -38.844,  50.106)  ( 49.870, -38.843,  50.106)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       ( 35.040, -11.112,  -7.538)  ( 35.159, -10.971,  -7.494)  ( 0.34,  1.27,  0.58)
181:     bond    ( -3.115,   5.491, -146.885)  ( -3.097,   5.502, -146.863)  ( 0.59,  0.21,  0.01)
181:     angle   ( 28.451, -22.074,  68.116)  ( 28.456, -22.071,  68.132)  ( 0.02,  0.01,  0.02)
181:     torsion (  6.340,   7.205,  -0.976)  (  6.347,   7.216,  -0.976)  ( 0.10,  0.15,  0.00)
181:     oop     ( -0.524,  -0.680,  -0.024)  ( -0.436,  -0.565,  -0.020)  ( 4.64,  7.85,  0.01)
181:     vdw     (  3.888,  -1.054,  72.231)  (  3.888,  -1.054,  72.233)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       ( 26.429,   5.628,  15.362)  ( 26.436,   5.634,  15.371)  ( 0.03,  0.10,  0.06)
181:     bond    ( 14.560, -10.532,  14.887)  ( 14.566, -10.528,  14.894)  ( 0.04,  0.03,  0.04)
181:     angle   ( -8.953,   6.848,  13.594)  ( -8.952,   6.849,  13.596)  ( 0.01,  0.01,  0.02)
181:     torsion ( 15.921,  21.527,  -0.353)  ( 15.923,  21.530,  -0.353)  ( 0.01,  0.02,  0.00)
181:     oop     (  0.008,   0.010,  -0.000)  (  0.006,   0.009,  -0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.893, -12.226, -12.766)  (  4.893, -12.226, -12.766)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       ( -5.528,  11.974,  -8.448)  ( -5.523,  11.977,  -8.440)  ( 0.09,  0.02,  0.10)
181:     bond    (-11.891,   9.551, -11.628)  (-11.885,   9.555, -11.622)  ( 0.05,  0.04,  0.05)
181:     angle   ( -4.069,   3.054,   6.669)  ( -4.068,   3.055,   6.672)  ( 0.02,  0.02,  0.04)
181:     torsion (  3.575,   4.553,   0.087)  (  3.577,   4.556,   0.087)  ( 0.05,  0.07,  0.00)
181:     oop     (  0.025,   0.032,   0.001)  (  0.021,   0.026,   0.001)  ( 0.01,  0.02,  0.00)
181:     vdw     (  6.832,  -5.216,  -3.577)  (  6.832,  -5.216,  -3.577)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( -4.119,  18.843,  76.496)  ( -4.146,  18.806,  76.506)  ( 0.66,  0.19,  0.01)
181:     bond    ( -3.906,   1.114,  49.703)  ( -3.906,   1.113,  49.715)  ( 0.00,  0.01,  0.02)
181:     angle   (-35.531,  27.684,  -3.411)  (-35.530,  27.685,  -3.411)  ( 0.00,  0.00,  0.00)
181:     torsion ( 10.449,  13.670,   0.515)  ( 10.449,  13.671,   0.515)  ( 0.01,  0.01,  0.00)
181:     oop     (  0.184,   0.238,   0.009)  (  0.154,   0.199,   0.008)  ( 0.55,  0.93,  0.00)
181:     vdw     ( 24.685, -23.863,  29.680)  ( 24.686, -23.862,  29.681)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       ( -5.820,  -7.368,  15.017)  ( -5.823,  -7.374,  15.032)  ( 0.06,  0.08,  0.10)
181:     bond    ( -1.988,   1.341,  17.656)  ( -1.988,   1.342,  17.671)  ( 0.01,  0.01,  0.08)
181:     angle   (  1.111,  -0.844,   0.189)  (  1.113,  -0.843,   0.189)  ( 0.23,  0.12,  0.00)
181:     torsion ( -5.653,  -7.515,  -0.065)  ( -5.651,  -7.512,  -0.065)  ( 0.03,  0.04,  0.00)
181:     oop     (  0.049,   0.065,   0.001)  (  0.041,   0.054,   0.000)  ( 0.04,  0.07,  0.00)
181:     vdw     (  0.661,  -0.415,  -2.763)  (  0.661,  -0.415,  -2.763)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (-12.539,   6.067,   5.303)  (-12.546,   6.052,   5.309)  ( 0.06,  0.25,  0.10)
181:     bond    (-12.860,   9.733,   6.528)  (-12.852,   9.738,   6.530)  ( 0.06,  0.05,  0.03)
181:     angle   (  0.009,  -0.020,   0.044)  (  0.009,  -0.020,   0.047)  ( 0.00,  0.00,  0.02)
181:     torsion ( -1.782,  -2.314,  -0.057)  ( -1.780,  -2.311,  -0.057)  ( 0.10,  0.14,  0.00)
181:     oop     (  0.107,   0.140,   0.002)  (  0.089,   0.116,   0.001)  ( 0.19,  0.33,  0.00)
181:     vdw     (  1.988,  -1.472,  -1.213)  (  1.988,  -1.472,  -1.212)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       (-21.475, -19.086,  14.442)  (-21.268, -19.132,  14.340)  ( 0.96,  0.24,  0.70)
181:     bond    (-28.227, -40.479, -24.358)  (-28.218, -40.461, -24.351)  ( 0.03,  0.05,  0.03)
181:     angle   ( -7.269,  20.713, -26.004)  ( -7.269,  20.716, -25.999)  ( 0.00,  0.02,  0.02)
181:     torsion (-17.297,   5.979,  10.109)  (-17.297,   5.979,  10.109)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.893,   0.309,   0.519)  ( -0.695,   0.241,   0.405)  (17.64,  2.11,  5.95)
181:     vdw     ( 32.211,  -5.608,  54.175)  ( 32.211,  -5.608,  54.176)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       (191.674, 529.624,  17.656)  (191.798, 529.618,  17.621)  ( 0.07,  0.00,  0.20)
181:     bond    ( 58.236, 235.285, -11.641)  ( 58.243, 235.306, -11.617)  ( 0.01,  0.01,  0.20)
181:     angle   (117.848, 263.254,  51.661)  (117.853, 263.265,  51.664)  ( 0.00,  0.00,  0.01)
181:     torsion (  7.170,  -2.214,  -3.132)  (  7.171,  -2.214,  -3.132)  ( 0.02,  0.01,  0.02)
181:     oop     ( -0.723,   0.249,   0.417)  ( -0.612,   0.211,   0.354)  ( 8.03,  0.96,  2.67)
181:     vdw     (  9.142,  33.049, -19.649)  (  9.142,  33.050, -19.648)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       (-95.864, -304.195, -16.249)  (-95.834, -304.157, -16.216)  ( 0.03,  0.01,  0.20)
181:     bond    ( -7.830, -283.974, 125.651)  ( -7.811, -283.947, 125.671)  ( 0.25,  0.01,  0.02)
181:     angle   (-63.048, -27.767, -86.024)  (-63.038, -27.756, -86.013)  ( 0.02,  0.04,  0.01)
181:     torsion (  2.136,  -2.699,  -6.132)  (  2.137,  -2.699,  -6.131)  ( 0.06,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-27.123,  10.246, -49.744)  (-27.122,  10.246, -49.743)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       (-19.068,  11.021, -38.923)  (-19.063,  11.024, -38.912)  ( 0.03,  0.03,  0.03)
181:     bond    (-21.019,  -1.122, -37.942)  (-21.016,  -1.122, -37.932)  ( 0.01,  0.02,  0.03)
181:     angle   (  3.075,  12.287,  -2.069)  (  3.076,  12.290,  -2.068)  ( 0.05,  0.03,  0.03)
181:     torsion ( -1.170,   0.310,   0.639)  ( -1.170,   0.310,   0.639)  ( 0.02,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.047,  -0.454,   0.449)  (  0.047,  -0.454,   0.449)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       (-16.760,  36.523,  29.211)  (-16.755,  36.531,  29.218)  ( 0.03,  0.02,  0.02)
181:     bond    (-19.545,  27.111,  25.058)  (-19.543,  27.117,  25.063)  ( 0.01,  0.02,  0.02)
181:     angle   (  8.183,  -3.579,  10.250)  (  8.185,  -3.577,  10.252)  ( 0.02,  0.06,  0.02)
181:     torsion (  3.176,   0.660,   1.763)  (  3.177,   0.660,   1.763)  ( 0.01,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.575,  12.331,  -7.860)  ( -8.574,  12.332,  -7.860)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       ( 47.268,  16.793,  -9.312)  ( 47.281,  16.797,  -9.309)  ( 0.03,  0.03,  0.03)
181:     bond    ( 40.819,  12.299,  -7.273)  ( 40.832,  12.300,  -7.273)  ( 0.03,  0.01,  0.00)
181:     angle   (  4.589,  -6.863,  14.160)  (  4.589,  -6.860,  14.162)  ( 0.01,  0.04,  0.01)
181:     torsion (  0.016,   0.138,   0.323)  (  0.016,   0.138,   0.323)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.844,  11.218, -16.522)  (  1.844,  11.218, -16.521)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 26 # gradients 
181: ok 27 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (116.287,  -8.442, -22.838)  (115.961,  -8.715, -21.215)  ( 0.28,  3.23,  7.11)
181:     bond    ( 22.087,  34.962,  11.952)  ( 22.113,  34.988,  11.955)  ( 0.12,  0.08,  0.02)
181:     angle   (165.435, -77.004,  22.812)  (165.451, -76.990,  22.815)  ( 0.01,  0.02,  0.01)
181:     torsion (  9.259,   8.251, -38.340)  (  9.260,   8.252, -38.324)  ( 0.01,  0.01,  0.04)
181:     oop     (  2.175,   1.906,  -9.509)  (  1.805,   1.591,  -7.909)  (17.02, 16.54, 16.83)
181:     vdw     (-82.669,  23.444,  -9.752)  (-82.667,  23.444,  -9.753)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-155.800, 150.666, 267.741)  (-154.650, 151.649, 263.333)  ( 0.74,  0.65,  1.65)
181:     bond    (  9.289,  69.441,  23.457)  (  9.318,  69.474,  23.461)  ( 0.31,  0.05,  0.02)
181:     angle   (-107.245, 105.199, 110.114)  (-107.231, 105.217, 110.118)  ( 0.01,  0.02,  0.00)
181:     torsion (-32.308, -13.312,  54.815)  (-32.307, -13.311,  54.830)  ( 0.00,  0.00,  0.03)
181:     oop     ( -6.535,  -5.596,  26.451)  ( -5.431,  -4.669,  22.019)  (16.90, 16.58, 16.75)
181:     vdw     (-19.000,  -5.065,  52.904)  (-19.000,  -5.063,  52.905)  ( 0.00,  0.04,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (-57.832,  13.874, -100.971)  (-58.268,  13.545, -99.127)  ( 0.76,  2.38,  1.83)
181:     bond    (-38.862, -10.395, -15.474)  (-38.837, -10.368, -15.471)  ( 0.07,  0.26,  0.02)
181:     angle   (-109.964, -43.953, -25.984)  (-109.949, -43.939, -25.981)  ( 0.01,  0.03,  0.01)
181:     torsion ( 21.720,  18.174, -85.176)  ( 21.721,  18.175, -85.164)  ( 0.00,  0.00,  0.01)
181:     oop     (  2.730,   2.131, -10.332)  (  2.250,   1.759,  -8.506)  (17.57, 17.48, 17.67)
181:     vdw     ( 66.545,  47.917,  35.994)  ( 66.546,  47.918,  35.994)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (184.459, -239.482, -29.973)  (184.508, -239.437, -29.957)  ( 0.03,  0.02,  0.06)
181:     bond    (-32.139,   7.417,  -7.582)  (-32.111,   7.449,  -7.577)  ( 0.09,  0.43,  0.06)
181:     angle   (144.581, -202.810, -20.798)  (144.599, -202.798, -20.794)  ( 0.01,  0.01,  0.02)
181:     torsion ( -1.634,  -4.597,  -9.079)  ( -1.633,  -4.596,  -9.069)  ( 0.06,  0.02,  0.11)
181:     oop     ( -0.003,  -0.005,   0.035)  ( -0.004,  -0.005,   0.033)  ( 0.00,  0.00,  0.01)
181:     vdw     ( 73.655, -39.487,   7.449)  ( 73.657, -39.486,   7.449)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-72.114, 270.082, 106.351)  (-72.064, 270.118, 106.344)  ( 0.07,  0.01,  0.01)
181:     bond    ( 18.507,  66.722,  22.387)  ( 18.545,  66.737,  22.391)  ( 0.21,  0.02,  0.02)
181:     angle   (-58.001, 253.644,  45.410)  (-57.997, 253.659,  45.411)  ( 0.01,  0.01,  0.00)
181:     torsion (-14.088, -14.246,  55.093)  (-14.087, -14.246,  55.103)  ( 0.00,  0.01,  0.02)
181:     oop     ( -0.043,  -0.038,   0.154)  ( -0.037,  -0.032,   0.132)  ( 0.03,  0.02,  0.34)
181:     vdw     (-18.489, -36.000, -16.693)  (-18.488, -35.999, -16.693)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (-144.386, -274.299, -65.742)  (-144.318, -274.236, -65.806)  ( 0.05,  0.02,  0.10)
181:     bond    ( 24.508, -14.699,   2.276)  ( 24.539, -14.671,   2.278)  ( 0.13,  0.19,  0.12)
181:     angle   (-110.762, -191.038, -70.306)  (-110.747, -191.026, -70.305)  ( 0.01,  0.01,  0.00)
181:     torsion ( -6.352,  -6.639,  30.953)  ( -6.351,  -6.638,  30.969)  ( 0.01,  0.01,  0.05)
181:     oop     ( -0.117,  -0.124,   0.529)  ( -0.098,  -0.104,   0.445)  ( 0.22,  0.25,  4.46)
181:     vdw     (-51.662, -61.799, -29.194)  (-51.661, -61.798, -29.193)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (122.317, 204.297,  91.404)  (122.354, 204.333,  91.400)  ( 0.03,  0.02,  0.00)
181:     bond    (-59.287,  40.804, -39.722)  (-59.267,  40.822, -39.705)  ( 0.03,  0.04,  0.04)
181:     angle   (169.152, 160.163, 141.143)  (169.162, 160.174, 141.153)  ( 0.01,  0.01,  0.01)
181:     torsion ( 11.730,  31.489,  -2.761)  ( 11.730,  31.488,  -2.760)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.052,  -0.048,   0.202)  ( -0.044,  -0.041,   0.170)  ( 0.04,  0.04,  0.63)
181:     vdw     (  0.773, -28.111,  -7.459)  (  0.773, -28.110,  -7.459)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (203.160, -45.288, -431.202)  (202.847, -45.562, -429.849)  ( 0.15,  0.61,  0.31)
181:     bond    ( 95.715,  18.633, -250.426)  ( 95.719,  18.665, -250.410)  ( 0.00,  0.17,  0.01)
181:     angle   (101.532, -91.827, -165.456)  (101.541, -91.824, -165.450)  ( 0.01,  0.00,  0.00)
181:     torsion ( 13.941,   3.202,  -5.164)  ( 13.941,   3.202,  -5.161)  ( 0.00,  0.01,  0.05)
181:     oop     (  2.059,   1.964,  -8.438)  (  1.732,   1.654,  -7.110)  (15.90, 15.77, 15.74)
181:     vdw     (-10.088,  22.740,  -1.718)  (-10.086,  22.741,  -1.718)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-119.586,  -4.170, 306.701)  (-119.558,  -4.136, 306.738)  ( 0.02,  0.82,  0.01)
181:     bond    (-74.362, -193.521, 251.137)  (-74.343, -193.499, 251.163)  ( 0.03,  0.01,  0.01)
181:     angle   (-42.941, 160.865,  63.012)  (-42.932, 160.877,  63.023)  ( 0.02,  0.01,  0.02)
181:     torsion (  3.312,   2.617,   2.887)  (  3.313,   2.617,   2.887)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.595,  25.869, -10.335)  ( -5.595,  25.869, -10.335)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (  1.128, -17.670,   8.275)  (  1.188, -17.614,   8.174)  ( 5.31,  0.31,  1.23)
181:     bond    (-74.691, -54.906, -31.978)  (-74.672, -54.888, -31.960)  ( 0.03,  0.03,  0.06)
181:     angle   ( 57.560,  23.646,  21.495)  ( 57.570,  23.656,  21.502)  ( 0.02,  0.04,  0.03)
181:     torsion ( -0.752,  -2.541,   6.822)  ( -0.753,  -2.542,   6.822)  ( 0.05,  0.04,  0.01)
181:     oop     ( -0.164,  -0.141,   0.673)  ( -0.133,  -0.114,   0.545)  ( 0.51,  0.38,  8.62)
181:     vdw     ( 19.175,  16.273,  11.263)  ( 19.176,  16.274,  11.263)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (  7.300, -10.594,  -0.715)  (  7.342, -10.551,  -0.744)  ( 0.59,  0.40,  2.08)
181:     bond    ( 70.242, -27.806,  10.923)  ( 70.262, -27.788,  10.941)  ( 0.03,  0.06,  0.17)
181:     angle   (-42.172,  23.429,  -1.074)  (-42.163,  23.439,  -1.067)  ( 0.02,  0.04,  0.67)
181:     torsion (  0.776,   0.111,  -5.336)  (  0.776,   0.112,  -5.332)  ( 0.02,  0.01,  0.06)
181:     oop     ( -0.068,  -0.069,   0.306)  ( -0.055,  -0.056,   0.248)  ( 0.09,  0.09,  1.78)
181:     vdw     (-21.478,  -6.259,  -5.534)  (-21.477,  -6.258,  -5.534)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-347.962, -83.970, -34.862)  (-347.919, -83.904, -34.737)  ( 0.01,  0.08,  0.36)
181:     bond    (-95.159,  57.313, -18.541)  (-95.123,  57.343, -18.539)  ( 0.04,  0.05,  0.01)
181:     angle   (-217.544, -227.821,   8.524)  (-217.526, -227.800,   8.524)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.732,  -1.049,  -7.161)  (  0.733,  -1.048,  -7.131)  ( 0.03,  0.07,  0.43)
181:     oop     (  0.065,  -0.091,  -0.610)  (  0.054,  -0.078,  -0.517)  ( 0.07,  0.12,  5.67)
181:     vdw     (-36.057,  87.678, -17.073)  (-36.056,  87.680, -17.073)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (-47.159,   1.404,  -6.248)  (-47.121,   1.446,  -6.216)  ( 0.08,  2.99,  0.52)
181:     bond    (  4.431, -78.812,  12.662)  (  4.458, -78.785,  12.664)  ( 0.61,  0.03,  0.01)
181:     angle   (-82.462,  46.267, -15.546)  (-82.451,  46.280, -15.546)  ( 0.01,  0.03,  0.00)
181:     torsion (  0.144,  -0.241,  -1.412)  (  0.144,  -0.240,  -1.388)  ( 0.00,  0.01,  1.66)
181:     oop     ( -0.002,   0.003,   0.018)  ( -0.003,   0.004,   0.025)  ( 0.00,  0.00,  0.01)
181:     vdw     ( 30.730,  34.187,  -1.971)  ( 30.731,  34.188,  -1.971)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       ( 96.852,   4.630,   8.342)  ( 96.892,   4.670,   8.379)  ( 0.04,  0.87,  0.43)
181:     bond    (-81.099, -19.893,  -5.762)  (-81.075, -19.864,  -5.760)  ( 0.03,  0.15,  0.03)
181:     angle   ( 84.801,  33.466,   4.032)  ( 84.815,  33.475,   4.033)  ( 0.02,  0.03,  0.01)
181:     torsion (  0.104,  -0.149,  -0.999)  (  0.104,  -0.149,  -0.979)  ( 0.00,  0.01,  2.05)
181:     oop     (  0.008,  -0.012,  -0.078)  (  0.007,  -0.010,  -0.064)  ( 0.00,  0.00,  0.10)
181:     vdw     ( 93.038,  -8.781,  11.149)  ( 93.040,  -8.782,  11.149)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       ( 24.690, -95.271,  15.467)  ( 24.730, -95.231,  15.482)  ( 0.16,  0.04,  0.10)
181:     bond    ( -7.132,  82.507, -13.213)  ( -7.103,  82.532, -13.212)  ( 0.40,  0.03,  0.01)
181:     angle   ( -4.266, -90.118,  13.138)  ( -4.256, -90.105,  13.138)  ( 0.23,  0.01,  0.00)
181:     torsion (  0.185,  -0.262,  -1.771)  (  0.185,  -0.261,  -1.751)  ( 0.00,  0.01,  1.16)
181:     oop     ( -0.005,   0.007,   0.047)  ( -0.004,   0.006,   0.039)  ( 0.00,  0.00,  0.04)
181:     vdw     ( 35.908, -87.405,  17.267)  ( 35.909, -87.403,  17.267)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       (-14.226,  47.407,  -7.376)  (-14.186,  47.450,  -7.339)  ( 0.27,  0.09,  0.50)
181:     bond    ( 79.107,  23.236,   4.878)  ( 79.134,  23.262,   4.880)  ( 0.03,  0.11,  0.03)
181:     angle   (-66.419,  62.051, -14.039)  (-66.406,  62.063, -14.039)  ( 0.02,  0.02,  0.00)
181:     torsion (  0.056,  -0.204,  -1.211)  (  0.056,  -0.203,  -1.189)  ( 0.00,  0.01,  1.85)
181:     oop     ( -0.002,   0.001,   0.008)  ( -0.003,   0.003,   0.021)  ( 0.00,  0.00,  0.01)
181:     vdw     (-26.968, -37.677,   2.988)  (-26.968, -37.676,   2.988)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       (-39.515, 382.680, -63.790)  (-39.454, 382.721, -63.819)  ( 0.16,  0.01,  0.04)
181:     bond    (-133.796,  87.788, -25.421)  (-133.762,  87.821, -25.419)  ( 0.03,  0.04,  0.01)
181:     angle   (188.007, 285.937, -24.977)  (188.027, 285.953, -24.977)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.382,  -0.385,  -2.583)  (  0.383,  -0.384,  -2.558)  ( 0.01,  0.02,  0.99)
181:     oop     ( -0.021,   0.035,   0.233)  ( -0.016,   0.027,   0.176)  ( 0.01,  0.03,  1.31)
181:     vdw     (-94.088,   9.305, -11.042)  (-94.085,   9.305, -11.042)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (212.966, -78.853,  86.599)  (213.063, -78.852,  86.189)  ( 0.05,  0.00,  0.47)
181:     bond    ( 32.722, -204.290,  33.509)  ( 32.759, -204.250,  33.510)  ( 0.11,  0.02,  0.00)
181:     angle   (159.584, 163.634, -10.633)  (159.597, 163.653, -10.632)  ( 0.01,  0.01,  0.01)
181:     torsion ( -5.949,   8.499,  59.353)  ( -5.949,   8.500,  59.376)  ( 0.00,  0.01,  0.04)
181:     oop     ( -0.214,   0.297,   2.136)  ( -0.168,   0.239,   1.700)  ( 0.99,  1.74, 20.41)
181:     vdw     ( 26.823, -46.995,   2.235)  ( 26.824, -46.994,   2.235)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       (1019.396, 300.440,  81.714)  (1019.454, 300.455,  81.497)  ( 0.01,  0.00,  0.27)
181:     bond    (111.633,   0.358,   7.479)  (111.661,   0.396,   7.479)  ( 0.03,  1.35,  0.00)
181:     angle   (888.998, 300.890,  82.517)  (889.014, 300.903,  82.518)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.754,   0.132,   4.980)  ( -0.754,   0.133,   4.992)  ( 0.00,  0.00,  0.25)
181:     oop     ( -0.014,   0.046,   0.300)  ( -0.002,   0.010,   0.069)  ( 0.02,  0.17,  6.96)
181:     vdw     ( 19.534,  -0.986, -13.562)  ( 19.534,  -0.986, -13.562)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       (-388.615, -447.620,  27.265)  (-388.593, -447.552,  27.475)  ( 0.01,  0.02,  0.77)
181:     bond    (187.005, -176.800,  44.071)  (187.029, -176.769,  44.073)  ( 0.01,  0.02,  0.00)
181:     angle   (-578.131, -267.848,  -1.152)  (-578.119, -267.841,  -1.153)  ( 0.00,  0.00,  0.03)
181:     torsion (  0.858,  -2.027, -13.278)  (  0.858,  -2.026, -13.269)  ( 0.01,  0.01,  0.06)
181:     oop     (  0.040,  -0.081,  -0.537)  (  0.027,  -0.051,  -0.337)  ( 0.05,  0.25, 10.76)
181:     vdw     (  1.612,  -0.864,  -1.840)  (  1.612,  -0.864,  -1.840)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (-794.623, -314.468, -466.439)  (-794.605, -314.423, -466.288)  ( 0.00,  0.01,  0.03)
181:     bond    (-161.101,   6.643, -48.436)  (-161.085,   6.666, -48.428)  ( 0.01,  0.34,  0.02)
181:     angle   (-581.286, -318.955, -397.058)  (-581.278, -318.953, -397.054)  ( 0.00,  0.00,  0.00)
181:     torsion (  3.410,  -0.722, -12.178)  (  3.410,  -0.722, -12.176)  ( 0.00,  0.01,  0.02)
181:     oop     (  0.022,  -0.047,  -0.324)  (  0.014,  -0.027,  -0.187)  ( 0.02,  0.10,  4.46)
181:     vdw     (-55.668,  -1.388,  -8.443)  (-55.666,  -1.388,  -8.443)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (-105.736, 234.763, 265.708)  (-105.719, 234.782, 265.709)  ( 0.02,  0.01,  0.00)
181:     bond    ( 86.180, 110.253,  19.659)  ( 86.189, 110.267,  19.659)  ( 0.01,  0.01,  0.00)
181:     angle   ( 55.099, -87.896, 251.431)  ( 55.101, -87.895, 251.433)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.509,   0.859,   1.795)  ( -1.509,   0.859,   1.795)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-245.506, 211.547,  -7.177)  (-245.500, 211.551,  -7.178)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       (-22.924,  48.489,   2.238)  (-22.916,  48.496,   2.254)  ( 0.03,  0.01,  0.74)
181:     bond    ( 13.208,  12.111,   5.841)  ( 13.216,  12.117,   5.843)  ( 0.06,  0.05,  0.03)
181:     angle   (-43.891,  47.393,   0.985)  (-43.889,  47.395,   0.985)  ( 0.01,  0.00,  0.01)
181:     torsion (  0.664,   0.643,  -2.841)  (  0.664,   0.644,  -2.838)  ( 0.01,  0.01,  0.12)
181:     oop     (  0.018,   0.019,  -0.080)  (  0.016,   0.016,  -0.069)  ( 0.00,  0.01,  0.09)
181:     vdw     (  7.076, -11.676,  -1.667)  (  7.077, -11.676,  -1.667)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       ( -7.837, -44.589,   4.424)  ( -7.833, -44.576,   4.426)  ( 0.06,  0.03,  0.05)
181:     bond    ( -6.253, -34.723,   4.129)  ( -6.253, -34.710,   4.129)  ( 0.00,  0.04,  0.00)
181:     angle   ( -4.590,   0.221,  -5.090)  ( -4.587,   0.221,  -5.088)  ( 0.07,  0.00,  0.05)
181:     torsion (  0.281,  -1.964, -16.082)  (  0.280,  -1.964, -16.083)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.725,  -8.123,  21.468)  (  2.726,  -8.123,  21.468)  ( 0.04,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       (  6.785, -15.171,  48.550)  (  6.791, -15.167,  48.560)  ( 0.08,  0.03,  0.02)
181:     bond    ( 22.381,  13.458,  37.096)  ( 22.384,  13.459,  37.105)  ( 0.01,  0.01,  0.02)
181:     angle   (-15.995,  32.011,  -1.965)  (-15.993,  32.013,  -1.964)  ( 0.01,  0.01,  0.04)
181:     torsion ( -6.680, -21.602,  11.866)  ( -6.681, -21.603,  11.866)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.079, -39.037,   1.553)  (  7.080, -39.036,   1.553)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       ( 21.953, -18.144, -48.857)  ( 21.956, -18.136, -48.846)  ( 0.01,  0.04,  0.02)
181:     bond    (  8.565, -18.256, -28.608)  (  8.566, -18.252, -28.599)  ( 0.01,  0.02,  0.03)
181:     angle   ( -5.074, -43.418,  26.189)  ( -5.072, -43.416,  26.189)  ( 0.03,  0.01,  0.00)
181:     torsion (  9.100,  -0.002,   2.727)  (  9.100,  -0.002,   2.727)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  9.362,  43.533, -49.165)  (  9.362,  43.534, -49.164)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       (-32.837,  20.876, -23.101)  (-32.827,  20.882, -23.098)  ( 0.03,  0.03,  0.02)
181:     bond    (-33.689,  24.661,  -9.207)  (-33.681,  24.666,  -9.207)  ( 0.03,  0.02,  0.00)
181:     angle   (  4.466,   3.179,  -7.826)  (  4.467,   3.180,  -7.823)  ( 0.03,  0.05,  0.04)
181:     torsion ( -3.400,  -6.881,  -5.998)  ( -3.400,  -6.881,  -5.998)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.214,  -0.083,  -0.070)  ( -0.214,  -0.083,  -0.070)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       ( 29.459,  32.359,   5.387)  ( 29.468,  32.365,   5.391)  ( 0.03,  0.02,  0.08)
181:     bond    ( 32.279,  25.004,  10.637)  ( 32.287,  25.009,  10.638)  ( 0.02,  0.02,  0.01)
181:     angle   (  2.262,  -0.130,  -6.570)  (  2.263,  -0.129,  -6.566)  ( 0.04,  0.02,  0.05)
181:     torsion ( -4.847,   5.257,   2.351)  ( -4.847,   5.257,   2.351)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.236,   2.228,  -1.031)  ( -0.236,   2.228,  -1.031)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( 23.800,  -9.730,  23.722)  ( 23.807,  -9.723,  23.727)  ( 0.03,  0.07,  0.02)
181:     bond    ( 31.491, -22.473,  25.990)  ( 31.497, -22.470,  25.994)  ( 0.02,  0.01,  0.02)
181:     angle   (-10.048, -31.603, -15.144)  (-10.047, -31.601, -15.143)  ( 0.01,  0.01,  0.01)
181:     torsion ( -0.676,   0.286,   1.067)  ( -0.676,   0.286,   1.066)  ( 0.01,  0.00,  0.05)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.033,  44.061,  11.809)  (  3.033,  44.062,  11.809)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       ( 15.633,  15.357, -37.055)  ( 15.637,  15.361, -37.045)  ( 0.03,  0.02,  0.03)
181:     bond    ( 19.159,  16.724, -32.895)  ( 19.161,  16.726, -32.887)  ( 0.01,  0.01,  0.03)
181:     angle   ( -3.819,  -4.250,  -4.386)  ( -3.817,  -4.248,  -4.385)  ( 0.05,  0.04,  0.03)
181:     torsion ( -1.276,   1.541,   0.040)  ( -1.276,   1.540,   0.040)  ( 0.02,  0.03,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.569,   1.342,   0.187)  (  1.569,   1.342,   0.187)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (-19.753,  28.914,  24.017)  (-19.748,  28.922,  24.022)  ( 0.02,  0.03,  0.02)
181:     bond    (-13.995,  29.540,  23.071)  (-13.993,  29.547,  23.075)  ( 0.01,  0.03,  0.02)
181:     angle   (-27.081,  -2.299, -13.480)  (-27.079,  -2.298, -13.479)  ( 0.01,  0.04,  0.01)
181:     torsion (  0.414,  -1.810,   2.570)  (  0.414,  -1.810,   2.569)  ( 0.00,  0.01,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 20.909,   3.483,  11.857)  ( 20.910,   3.483,  11.857)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       (-22.297, -33.757, -28.551)  (-22.289, -33.748, -28.549)  ( 0.03,  0.03,  0.01)
181:     bond    (-25.733, -29.234,  -5.362)  (-25.727, -29.226,  -5.362)  ( 0.02,  0.03,  0.00)
181:     angle   ( 19.085, -16.487,  -1.723)  ( 19.086, -16.485,  -1.721)  ( 0.01,  0.01,  0.11)
181:     torsion (  3.333,   1.004, -21.468)  (  3.333,   1.004, -21.468)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-18.982,  10.960,   0.002)  (-18.982,  10.960,   0.002)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       (-12.011,   7.338,  43.758)  (-12.007,   7.343,  43.768)  ( 0.03,  0.07,  0.02)
181:     bond    (-11.801,  20.330,  32.128)  (-11.800,  20.334,  32.137)  ( 0.01,  0.02,  0.03)
181:     angle   ( 16.633,   4.884,   3.016)  ( 16.635,   4.886,   3.016)  ( 0.01,  0.03,  0.03)
181:     torsion ( -7.580, -17.156,   8.071)  ( -7.580, -17.155,   8.072)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -9.262,  -0.721,   0.543)  ( -9.262,  -0.721,   0.543)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       ( 11.313,  44.694, -21.813)  ( 11.315,  44.701, -21.804)  ( 0.02,  0.01,  0.04)
181:     bond    ( -1.579,  24.927, -33.437)  ( -1.579,  24.932, -33.428)  ( 0.01,  0.02,  0.03)
181:     angle   ( 11.630,   2.486,   1.305)  ( 11.633,   2.487,   1.306)  ( 0.02,  0.05,  0.05)
181:     torsion (  4.701,  17.021,  12.473)  (  4.701,  17.021,  12.473)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.440,   0.260,  -2.154)  ( -3.440,   0.260,  -2.154)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       ( -0.828,  -5.232,  -0.655)  ( -0.821,  -5.219,  -0.641)  ( 0.59,  0.24,  0.91)
181:     bond    ( -3.744,  -5.083,   0.375)  ( -3.739,  -5.074,   0.375)  ( 0.14,  0.19,  0.00)
181:     angle   (  2.261,  -1.631,   0.531)  (  2.264,  -1.629,   0.531)  ( 0.12,  0.08,  0.00)
181:     torsion (  0.141,  -0.201,  -1.325)  (  0.141,  -0.201,  -1.320)  ( 0.00,  0.00,  0.39)
181:     oop     (  0.005,  -0.007,  -0.043)  (  0.004,  -0.005,  -0.034)  ( 0.00,  0.00,  0.04)
181:     vdw     (  0.510,   1.690,  -0.193)  (  0.510,   1.690,  -0.193)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       (-26.249,   5.898,  -5.175)  (-26.234,   5.903,  -5.171)  ( 0.06,  0.07,  0.08)
181:     bond    (-29.191,   3.711,  -3.730)  (-29.177,   3.711,  -3.730)  ( 0.05,  0.01,  0.01)
181:     angle   (  0.259,   1.789,  -0.245)  (  0.259,   1.793,  -0.245)  ( 0.00,  0.22,  0.00)
181:     torsion (  0.150,  -0.213,  -1.393)  (  0.150,  -0.213,  -1.388)  ( 0.00,  0.00,  0.34)
181:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.006)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.534,   0.611,   0.186)  (  2.534,   0.612,   0.186)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       (-14.760,  22.916,  -4.947)  (-14.755,  22.930,  -4.936)  ( 0.04,  0.06,  0.22)
181:     bond    (-12.077,  26.778,  -5.388)  (-12.074,  26.791,  -5.387)  ( 0.02,  0.05,  0.01)
181:     angle   ( -2.847,  -1.306,  -0.117)  ( -2.843,  -1.305,  -0.117)  ( 0.12,  0.05,  0.00)
181:     torsion ( -0.021,   0.028,   0.184)  ( -0.021,   0.028,   0.189)  ( 0.00,  0.00,  0.09)
181:     oop     (  0.004,  -0.005,  -0.036)  (  0.003,  -0.005,  -0.030)  ( 0.00,  0.00,  0.02)
181:     vdw     (  0.181,  -2.579,   0.409)  (  0.181,  -2.579,   0.409)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 38       (  1.676,   4.570,   2.504)  (  1.683,   4.583,   2.523)  ( 0.40,  0.29,  0.76)
181:     bond    (  3.709,   4.859,  -0.358)  (  3.715,   4.869,  -0.358)  ( 0.15,  0.19,  0.00)
181:     angle   ( -0.235,   0.177,   0.010)  ( -0.232,   0.178,   0.010)  ( 0.06,  0.02,  0.00)
181:     torsion ( -0.300,   0.446,   2.942)  ( -0.300,   0.446,   2.947)  ( 0.00,  0.01,  0.18)
181:     oop     (  0.007,  -0.011,  -0.070)  (  0.006,  -0.009,  -0.056)  ( 0.00,  0.00,  0.10)
181:     vdw     ( -1.505,  -0.901,  -0.020)  ( -1.505,  -0.901,  -0.020)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 39       (346.901, -95.929, -20.455)  (346.888, -95.873, -20.204)  ( 0.00,  0.06,  1.23)
181:     bond    ( 22.848,  82.013,  -8.313)  ( 22.850,  82.033,  -8.313)  ( 0.01,  0.02,  0.00)
181:     angle   ( 43.123, -11.220,   7.821)  ( 43.127, -11.220,   7.821)  ( 0.01,  0.00,  0.00)
181:     torsion (  2.724,  -3.366, -25.736)  (  2.724,  -3.366, -25.730)  ( 0.00,  0.00,  0.02)
181:     oop     (  0.108,  -0.137,  -1.058)  (  0.082,  -0.105,  -0.811)  ( 0.28,  0.44, 23.28)
181:     vdw     (278.098, -163.217,   6.830)  (278.106, -163.215,   6.829)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 28 # gradients 
181: ok 29 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (-163.075, -474.890, -57.206)  (-163.047, -474.859, -57.180)  ( 0.02,  0.01,  0.04)
181:     bond    ( 10.155,  19.969,   0.323)  ( 10.175,  19.991,   0.338)  ( 0.19,  0.11,  0.49)
181:     angle   (-166.513, -477.310, -56.180)  (-166.506, -477.302, -56.172)  ( 0.00,  0.00,  0.01)
181:     torsion (  7.010,  -4.799,  10.158)  (  7.011,  -4.798,  10.160)  ( 0.02,  0.02,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-13.727, -12.750, -11.507)  (-13.727, -12.750, -11.507)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-185.923,  62.793, 314.602)  (-185.888,  62.822, 314.635)  ( 0.02,  0.05,  0.01)
181:     bond    ( 28.291, -13.551,   9.130)  ( 28.313, -13.535,   9.151)  ( 0.08,  0.11,  0.23)
181:     angle   (-187.741,  52.878, 312.514)  (-187.730,  52.889, 312.523)  ( 0.01,  0.02,  0.00)
181:     torsion (-17.771,  15.168,  -1.323)  (-17.770,  15.170,  -1.320)  ( 0.01,  0.02,  0.21)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.702,   8.298,  -5.719)  ( -8.702,   8.298,  -5.719)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (145.042, 279.559, -217.864)  (145.366, 274.911, -220.980)  ( 0.22,  1.66,  1.43)
181:     bond    (-10.523, -16.759,  19.236)  (-10.498, -16.741,  19.252)  ( 0.24,  0.11,  0.08)
181:     angle   (141.977,  95.083, -322.895)  (141.986,  95.092, -322.885)  ( 0.01,  0.01,  0.00)
181:     torsion ( 12.311, 190.496,  93.133)  ( 12.311, 190.498,  93.135)  ( 0.00,  0.00,  0.00)
181:     oop     ( -1.275,   9.366,   7.168)  ( -0.986,   4.689,   4.023)  (22.68, 49.94, 43.87)
181:     vdw     (  2.553,   1.373, -14.505)  (  2.553,   1.373, -14.505)  ( 0.01,  0.02,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (-11.121, 280.261, 332.746)  (-11.095, 280.289, 332.776)  ( 0.24,  0.01,  0.01)
181:     bond    (  3.052, -16.442,  -9.180)  (  3.067, -16.423,  -9.158)  ( 0.51,  0.11,  0.24)
181:     angle   (-10.957, 275.042, 333.586)  (-10.947, 275.050, 333.593)  ( 0.08,  0.00,  0.00)
181:     torsion (  2.849,   6.311,  -2.954)  (  2.851,   6.313,  -2.954)  ( 0.06,  0.03,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -6.066,  15.350,  11.294)  ( -6.066,  15.350,  11.295)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-407.180, -1026.420, -543.624)  (-403.176, -1014.002, -526.936)  ( 0.98,  1.21,  3.07)
181:     bond    ( 44.303, -89.317, -58.711)  ( 44.329, -89.299, -58.699)  ( 0.06,  0.02,  0.02)
181:     angle   (-180.234, -528.382, 114.838)  (-180.225, -528.371, 114.849)  ( 0.01,  0.00,  0.01)
181:     torsion (-216.277, -471.062, -553.300)  (-216.275, -471.062, -553.302)  ( 0.00,  0.00,  0.00)
181:     oop     ( -9.806, -26.602, -41.203)  ( -5.841, -14.216, -24.535)  (40.44, 46.56, 40.45)
181:     vdw     (-45.164,  88.944,  -5.248)  (-45.164,  88.946,  -5.248)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (561.543, 698.044, 129.649)  (556.715, 692.073, 124.218)  ( 0.86,  0.86,  4.19)
181:     bond    (-28.103, -57.233,  82.338)  (-28.077, -57.213,  82.346)  ( 0.09,  0.04,  0.01)
181:     angle   (281.089, 416.870, -172.124)  (281.096, 416.881, -172.117)  ( 0.00,  0.00,  0.00)
181:     torsion (240.406, 261.628, 254.450)  (240.408, 261.630, 254.450)  ( 0.00,  0.00,  0.00)
181:     oop     ( 14.615,  15.383,  18.011)  (  9.750,   9.378,  12.564)  (33.29, 39.04, 30.25)
181:     vdw     ( 53.537,  61.395, -53.026)  ( 53.537,  61.396, -53.025)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (-662.354, -111.205, 141.994)  (-657.360, -112.857, 138.909)  ( 0.75,  1.49,  2.17)
181:     bond    (-168.069, -26.034,   8.805)  (-168.042, -26.012,   8.811)  ( 0.02,  0.09,  0.07)
181:     angle   (-336.147, -93.011,   9.328)  (-336.136, -93.002,   9.334)  ( 0.00,  0.01,  0.07)
181:     torsion (-252.846, -13.122, 139.543)  (-252.846, -13.121, 139.537)  ( 0.00,  0.01,  0.00)
181:     oop     (-15.508,   5.435,  12.366)  (-10.554,   3.749,   9.275)  (31.95, 31.02, 25.00)
181:     vdw     (110.216,  15.528, -28.048)  (110.219,  15.529, -28.048)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (250.136, -518.519, 549.490)  (247.415, -515.289, 546.478)  ( 1.09,  0.62,  0.55)
181:     bond    (  1.458,  71.116,  68.487)  (  1.475,  71.143,  68.499)  ( 1.21,  0.04,  0.02)
181:     angle   (154.409, -485.366, 569.972)  (154.424, -485.348, 569.983)  ( 0.01,  0.00,  0.00)
181:     torsion ( 34.783,  -7.281, -106.662)  ( 34.783,  -7.282, -106.665)  ( 0.00,  0.01,  0.00)
181:     oop     ( 10.990, -10.864,   8.861)  (  8.236,  -7.681,   5.829)  (25.06, 29.30, 34.22)
181:     vdw     ( 48.496, -86.123,   8.832)  ( 48.497, -86.121,   8.832)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (439.497, 441.908, -1179.811)  (434.517, 434.975, -1176.814)  ( 1.13,  1.57,  0.25)
181:     bond    ( 61.002,  37.800, -126.985)  ( 61.019,  37.811, -126.957)  ( 0.03,  0.03,  0.02)
181:     angle   (488.272, 508.141, -851.857)  (488.299, 508.158, -851.826)  ( 0.01,  0.00,  0.00)
181:     torsion (-69.212, -104.841, -271.849)  (-69.215, -104.847, -271.852)  ( 0.00,  0.01,  0.00)
181:     oop     ( 11.805,  20.515,  -8.930)  (  6.784,  13.558,  -5.990)  (42.54, 33.91, 32.92)
181:     vdw     (-52.371, -19.707,  79.811)  (-52.370, -19.705,  79.812)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (-310.545, -438.789, 1524.655)  (-310.723, -442.223, 1511.710)  ( 0.06,  0.78,  0.85)
181:     bond    ( 70.628,  28.998,   6.944)  ( 70.646,  29.024,   6.955)  ( 0.03,  0.09,  0.16)
181:     angle   (-393.833, -564.110, 1041.613)  (-393.811, -564.068, 1041.665)  ( 0.01,  0.01,  0.01)
181:     torsion (107.997,  97.872, 391.223)  (107.999,  97.871, 391.223)  ( 0.00,  0.00,  0.00)
181:     oop     (  1.581,  10.950,  33.987)  (  1.357,   7.451,  20.979)  (14.16, 31.96, 38.27)
181:     vdw     (-96.918, -12.500,  50.888)  (-96.915, -12.500,  50.888)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (425.491, 106.564, -171.779)  (386.458, 106.281, -139.633)  ( 9.17,  0.27, 18.71)
181:     bond    ( -9.197,  36.479,   4.844)  ( -9.178,  36.501,   4.864)  ( 0.21,  0.06,  0.39)
181:     angle   (256.003,  82.383, -340.147)  (256.014,  82.397, -340.136)  ( 0.00,  0.02,  0.00)
181:     torsion (109.631,  15.471, 237.942)  (109.634,  15.472, 237.944)  ( 0.00,  0.01,  0.00)
181:     oop     ( 63.741, -19.452, -68.052)  ( 24.674, -19.772, -35.939)  (61.29,  1.65, 47.19)
181:     vdw     (  5.314,  -8.316,  -6.366)  (  5.314,  -8.316,  -6.366)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (149.932, -39.572, -344.415)  (149.960, -39.544, -344.384)  ( 0.02,  0.07,  0.01)
181:     bond    ( -4.442,   1.405,   6.036)  ( -4.425,   1.422,   6.058)  ( 0.40,  1.19,  0.36)
181:     angle   (150.728, -38.064, -341.656)  (150.736, -38.055, -341.647)  ( 0.01,  0.02,  0.00)
181:     torsion (  2.661,  10.075,  -1.921)  (  2.662,  10.077,  -1.921)  ( 0.05,  0.02,  0.03)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.986, -12.988,  -6.874)  (  0.986, -12.988,  -6.874)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (-71.366, -3248.159, 6275.535)  ( 18.746, -3255.267, 6213.962)  (126.27,  0.22,  0.98)
181:     bond    (-24.751,  -1.393, -11.881)  (-24.732,  -1.375, -11.844)  ( 0.08,  1.31,  0.31)
181:     angle   ( 96.308, -3293.527, 6182.157)  ( 96.347, -3293.377, 6182.697)  ( 0.04,  0.00,  0.01)
181:     torsion ( 35.429, -20.000, -40.923)  ( 35.428, -19.999, -40.925)  ( 0.00,  0.00,  0.01)
181:     oop     (-188.460,  78.650, 129.944)  (-98.405,  71.374,  67.796)  (47.78,  9.25, 47.83)
181:     vdw     ( 10.107, -11.890,  16.238)  ( 10.108, -11.890,  16.238)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       (-2429.877, -941.912, -3598.395)  (-2440.493, -931.780, -3592.480)  ( 0.44,  1.08,  0.16)
181:     bond    (  5.843,   7.534,  -6.324)  (  5.851,   7.567,  -6.314)  ( 0.13,  0.44,  0.16)
181:     angle   (-2494.865, -915.953, -3613.099)  (-2494.774, -915.935, -3612.911)  ( 0.00,  0.00,  0.01)
181:     torsion ( 12.549,  10.708,  27.711)  ( 12.517,  10.708,  27.682)  ( 0.25,  0.00,  0.10)
181:     oop     ( 38.865, -36.829, -21.148)  ( 28.182, -26.749, -15.402)  (27.49, 27.37, 27.17)
181:     vdw     (  7.730,  -7.371,  14.464)  (  7.730,  -7.371,  14.465)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       (2275.150, 4110.172, -2528.710)  (2235.661, 4108.150, -2502.586)  ( 1.74,  0.05,  1.03)
181:     bond    ( -0.918,  -0.369,  -1.437)  ( -0.909,  -0.368,  -1.414)  ( 0.86,  0.06,  1.58)
181:     angle   (2212.532, 4119.830, -2494.022)  (2212.617, 4120.053, -2493.951)  ( 0.00,  0.01,  0.00)
181:     torsion (-23.370,   9.163,  12.638)  (-23.369,   9.163,  12.639)  ( 0.00,  0.00,  0.00)
181:     oop     ( 82.164, -23.441, -46.720)  ( 42.580, -25.687, -20.690)  (48.18,  9.58, 55.71)
181:     vdw     (  4.741,   4.990,   0.830)  (  4.742,   4.990,   0.830)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       ( 29.563, 159.802, -18.007)  ( 29.576, 159.805, -18.005)  ( 0.05,  0.00,  0.01)
181:     bond    (  9.037,  -1.524,  -0.203)  (  9.050,  -1.524,  -0.203)  ( 0.15,  0.03,  0.00)
181:     angle   ( 28.049, 169.417, -21.211)  ( 28.049, 169.420, -21.210)  ( 0.00,  0.00,  0.01)
181:     torsion (  0.210,   0.398,   6.373)  (  0.210,   0.398,   6.374)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -7.733,  -8.489,  -2.966)  ( -7.733,  -8.489,  -2.966)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       (110.511,  89.033, -82.861)  (110.514,  89.041, -82.852)  ( 0.00,  0.01,  0.01)
181:     bond    (  0.003,   1.672,   1.773)  (  0.003,   1.679,   1.780)  ( 0.00,  0.39,  0.41)
181:     angle   (113.837,  88.441, -83.579)  (113.839,  88.441, -83.577)  ( 0.00,  0.00,  0.00)
181:     torsion ( -2.557,   1.919,  -1.806)  ( -2.557,   1.919,  -1.805)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.771,  -2.999,   0.751)  ( -0.771,  -2.998,   0.751)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (164.360,  93.375,  89.660)  (164.363,  93.382,  89.669)  ( 0.00,  0.01,  0.01)
181:     bond    (  0.190,   3.711,  -4.053)  (  0.190,   3.718,  -4.045)  ( 0.00,  0.17,  0.19)
181:     angle   (165.611,  99.178,  98.925)  (165.613,  99.178,  98.927)  ( 0.00,  0.00,  0.00)
181:     torsion (  3.499,  -3.086,  -2.672)  (  3.499,  -3.086,  -2.672)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.940,  -6.429,  -2.540)  ( -4.939,  -6.429,  -2.540)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       ( 23.106,  96.329,  38.306)  ( 23.112,  96.336,  38.316)  ( 0.02,  0.01,  0.03)
181:     bond    (  3.354,  -4.340,   8.483)  (  3.355,  -4.337,   8.493)  ( 0.05,  0.06,  0.12)
181:     angle   ( 24.599,  88.887,  35.672)  ( 24.602,  88.890,  35.672)  ( 0.01,  0.00,  0.00)
181:     torsion (  9.356,  -0.208,  -3.802)  (  9.357,  -0.207,  -3.802)  ( 0.01,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-14.202,  11.990,  -2.047)  (-14.202,  11.990,  -2.047)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       (106.847,   7.352,  -6.537)  (106.852,   7.358,  -6.526)  ( 0.00,  0.08,  0.17)
181:     bond    (  0.265,  10.534,  16.212)  (  0.265,  10.538,  16.222)  ( 0.00,  0.04,  0.06)
181:     angle   (116.143,   9.693,  -8.196)  (116.147,   9.694,  -8.196)  ( 0.00,  0.01,  0.01)
181:     torsion (-14.500, -13.124,   8.762)  (-14.500, -13.123,   8.762)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.940,   0.249, -23.314)  (  4.940,   0.249, -23.314)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (-53.936,   9.882, -76.119)  (-53.930,   9.894, -76.116)  ( 0.01,  0.13,  0.00)
181:     bond    ( -3.527,  -8.677,   1.493)  ( -3.525,  -8.666,   1.493)  ( 0.06,  0.13,  0.03)
181:     angle   (-62.327,  13.662, -67.852)  (-62.324,  13.663, -67.850)  ( 0.00,  0.00,  0.00)
181:     torsion (  9.678,  -4.462,  -3.046)  (  9.678,  -4.462,  -3.046)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.240,   9.359,  -6.714)  (  2.241,   9.359,  -6.713)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (-78.890, -72.710, -158.807)  (-78.878, -72.707, -158.804)  ( 0.02,  0.00,  0.00)
181:     bond    (  3.533,  -1.023,  -1.278)  (  3.545,  -1.022,  -1.276)  ( 0.32,  0.09,  0.12)
181:     angle   (-82.209, -82.772, -162.066)  (-82.208, -82.771, -162.064)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.249,   2.761,  -1.520)  (  0.249,   2.761,  -1.519)  ( 0.00,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.463,   8.324,   6.056)  ( -0.463,   8.325,   6.056)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       ( 54.476, -88.167, -69.420)  ( 54.480, -88.162, -69.409)  ( 0.01,  0.01,  0.02)
181:     bond    ( -3.009,   4.808,  -9.022)  ( -3.008,   4.811,  -9.012)  ( 0.04,  0.06,  0.11)
181:     angle   ( 60.074, -98.874, -72.827)  ( 60.076, -98.872, -72.827)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.594,  -0.810,   0.099)  ( -1.594,  -0.810,   0.099)  ( 0.03,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.995,   6.710,  12.331)  ( -0.995,   6.710,  12.331)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       ( 78.432,  -9.054, -127.914)  ( 78.437,  -9.043, -127.911)  ( 0.01,  0.13,  0.00)
181:     bond    (  0.761,   1.681,   0.278)  (  0.763,   1.693,   0.278)  ( 0.17,  0.67,  0.01)
181:     angle   ( 80.775, -14.566, -132.840)  ( 80.777, -14.566, -132.837)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.481,  -0.260,   0.258)  (  0.482,  -0.259,   0.258)  ( 0.02,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.585,   4.090,   4.389)  ( -3.585,   4.090,   4.389)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       (-51.535,  44.398,  45.791)  (-51.131,  44.805,  46.918)  ( 0.78,  0.92,  2.46)
181:     bond    ( -5.493,  -9.604,   5.333)  ( -5.490,  -9.595,   5.336)  ( 0.06,  0.10,  0.05)
181:     angle   (-27.870,   8.136, -14.040)  (-27.867,   8.137, -14.040)  ( 0.01,  0.01,  0.00)
181:     torsion (-20.060,  46.688,  63.308)  (-20.060,  46.688,  63.309)  ( 0.00,  0.00,  0.00)
181:     oop     ( -2.278,  -2.485,  -6.811)  ( -1.880,  -2.088,  -5.689)  (17.47, 15.96, 16.48)
181:     vdw     (  4.166,   1.663,  -1.999)  (  4.167,   1.663,  -1.999)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       (139.004, -88.908, -249.742)  (137.065, -87.642, -246.362)  ( 1.39,  1.42,  1.35)
181:     bond    ( -4.791,  -1.212,  -2.309)  ( -4.779,  -1.211,  -2.306)  ( 0.24,  0.06,  0.12)
181:     angle   ( -5.602, -26.885,  25.728)  ( -5.602, -26.882,  25.729)  ( 0.00,  0.01,  0.00)
181:     torsion (141.462, -55.192, -264.132)  (141.462, -55.192, -264.135)  ( 0.00,  0.00,  0.00)
181:     oop     (  5.926,  -3.391, -10.499)  (  3.975,  -2.129,  -7.119)  (32.92, 37.22, 32.19)
181:     vdw     (  2.008,  -2.228,   1.470)  (  2.008,  -2.228,   1.470)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       (-100.572, -46.189,  20.393)  (-97.540, -41.908,  19.841)  ( 3.01,  9.27,  2.70)
181:     bond    ( -2.799,   0.425, -11.770)  ( -2.798,   0.426, -11.755)  ( 0.03,  0.00,  0.12)
181:     angle   (-15.348,  37.830,   5.022)  (-15.346,  37.831,   5.022)  ( 0.01,  0.00,  0.00)
181:     torsion (-75.920, -74.809,  15.364)  (-75.922, -74.812,  15.364)  ( 0.00,  0.00,  0.00)
181:     oop     ( -7.652, -11.933,   1.389)  ( -4.622,  -7.649,   0.823)  (39.60, 35.90, 40.75)
181:     vdw     (  1.147,   2.297,  10.387)  (  1.147,   2.297,  10.387)  ( 0.02,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       (-336.241, 574.483, -339.541)  (-334.757, 575.588, -337.085)  ( 0.44,  0.19,  0.72)
181:     bond    (  3.945,   0.719,  -2.690)  (  3.955,   0.720,  -2.685)  ( 0.25,  0.03,  0.17)
181:     angle   (-310.864, 492.121, -326.047)  (-310.851, 492.147, -326.037)  ( 0.00,  0.01,  0.00)
181:     torsion (-22.615,  92.362,  -8.563)  (-22.615,  92.362,  -8.562)  ( 0.00,  0.00,  0.01)
181:     oop     ( -4.712,  -5.306,  -8.363)  ( -3.252,  -4.227,  -5.923)  (30.98, 20.34, 29.17)
181:     vdw     ( -1.995,  -5.414,   6.122)  ( -1.995,  -5.413,   6.122)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       (-15.151,   2.263,  81.298)  (-15.139,   2.270,  81.302)  ( 0.08,  0.34,  0.00)
181:     bond    ( 19.096,  11.184,   2.759)  ( 19.107,  11.188,   2.759)  ( 0.05,  0.03,  0.01)
181:     angle   (-18.411,   8.591,  92.628)  (-18.410,   8.594,  92.630)  ( 0.01,  0.03,  0.00)
181:     torsion ( -8.884,  12.396,  11.251)  ( -8.884,  12.397,  11.251)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -6.952, -29.909, -25.340)  ( -6.952, -29.908, -25.339)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       (-41.569, -30.088, 123.256)  (-41.566, -30.074, 123.259)  ( 0.01,  0.05,  0.00)
181:     bond    ( -0.641,   4.990,   0.937)  ( -0.641,   5.004,   0.937)  ( 0.02,  0.26,  0.05)
181:     angle   (-51.949, -30.836, 129.092)  (-51.947, -30.835, 129.094)  ( 0.00,  0.00,  0.00)
181:     torsion (  7.939,   0.218,   4.263)  (  7.940,   0.218,   4.263)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.082,  -4.461, -11.036)  (  3.082,  -4.461, -11.036)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (-92.387,  60.898,  62.401)  (-92.381,  60.901,  62.412)  ( 0.01,  0.01,  0.02)
181:     bond    (  2.122,  -1.132,   4.187)  (  2.125,  -1.131,   4.197)  ( 0.13,  0.07,  0.25)
181:     angle   (-96.594,  67.358,  67.047)  (-96.591,  67.360,  67.047)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.211,  -2.108,   0.045)  ( -1.211,  -2.108,   0.045)  ( 0.01,  0.02,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.296,  -3.220,  -8.878)  (  3.296,  -3.220,  -8.878)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       (  1.956,  69.960, 117.238)  (  1.968,  69.963, 117.241)  ( 0.62,  0.01,  0.00)
181:     bond    ( -3.614,  -1.283,   0.787)  ( -3.602,  -1.282,   0.788)  ( 0.33,  0.12,  0.05)
181:     angle   (  2.595,  69.724, 125.283)  (  2.595,  69.726, 125.285)  ( 0.01,  0.00,  0.00)
181:     torsion ( -1.096,   2.248,  -1.352)  ( -1.096,   2.249,  -1.352)  ( 0.01,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.071,  -0.730,  -7.481)  (  4.071,  -0.730,  -7.481)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       ( 55.911, -53.509, -77.574)  ( 55.901, -53.490, -77.584)  ( 0.02,  0.04,  0.01)
181:     bond    (  2.467,   6.482,  -2.894)  (  2.470,   6.500,  -2.890)  ( 0.11,  0.29,  0.13)
181:     angle   ( 68.061, -54.217, -63.765)  ( 68.059, -54.217, -63.767)  ( 0.00,  0.00,  0.00)
181:     torsion (-10.559,  -0.725, -10.654)  (-10.569,  -0.725, -10.664)  ( 0.10,  0.00,  0.10)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.059,  -5.049,  -0.262)  ( -4.059,  -5.049,  -0.262)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 30 # gradients 
181: ok 31 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       ( 76.598, -137.678, -29.141)  ( 76.810, -137.346, -29.823)  ( 0.28,  0.24,  2.34)
181:     bond    ( 90.698,   4.504,  26.887)  ( 90.717,   4.522,  26.905)  ( 0.02,  0.40,  0.07)
181:     angle   (  1.623, -114.544, -45.076)  (  1.632, -114.533, -45.068)  ( 0.56,  0.01,  0.02)
181:     torsion ( -0.161,   1.696,   0.297)  ( -0.162,   1.695,   0.296)  ( 0.00,  0.09,  0.02)
181:     oop     ( -1.255,  -2.021,   4.821)  ( -1.071,  -1.717,   4.113)  (14.66, 15.01, 14.68)
181:     vdw     (-14.307, -27.313, -16.070)  (-14.307, -27.312, -16.070)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-152.928, 235.846,  12.867)  (-153.710, 234.463,  16.343)  ( 0.51,  0.59, 27.02)
181:     bond    ( 18.688, 120.062,  50.687)  ( 18.719, 120.102,  50.695)  ( 0.16,  0.03,  0.02)
181:     angle   (-160.218, 103.423,  16.382)  (-160.193, 103.435,  16.386)  ( 0.02,  0.01,  0.03)
181:     torsion (  5.513,  10.248, -27.387)  (  5.513,  10.248, -27.383)  ( 0.00,  0.00,  0.01)
181:     oop     (  4.728,   8.056, -19.476)  (  3.891,   6.620, -16.015)  (17.71, 17.82, 17.77)
181:     vdw     (-21.640,  -5.943,  -7.340)  (-21.639,  -5.943,  -7.340)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (-20.273, -42.385,   1.840)  (-20.269, -42.372,   1.841)  ( 0.02,  0.03,  0.07)
181:     bond    (-14.015, -41.334,   3.370)  (-14.014, -41.322,   3.369)  ( 0.01,  0.03,  0.00)
181:     angle   (  3.142,  -1.541,  -5.821)  (  3.144,  -1.541,  -5.819)  ( 0.08,  0.02,  0.04)
181:     torsion ( -1.299,   0.808,   4.512)  ( -1.299,   0.808,   4.511)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.100,  -0.318,  -0.220)  ( -8.100,  -0.318,  -0.220)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (-39.832,  20.635,  23.062)  (-39.825,  20.640,  23.068)  ( 0.02,  0.03,  0.03)
181:     bond    (-24.926,  24.974,  25.987)  (-24.922,  24.978,  25.992)  ( 0.02,  0.02,  0.02)
181:     angle   ( 15.098,   9.421,   5.421)  ( 15.099,   9.423,   5.422)  ( 0.01,  0.02,  0.03)
181:     torsion (  0.391,   2.228,  -1.766)  (  0.391,   2.227,  -1.766)  ( 0.00,  0.02,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-30.394, -15.988,  -6.580)  (-30.393, -15.988,  -6.581)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       ( -7.315,   8.380, -46.059)  ( -7.312,   8.382, -46.046)  ( 0.04,  0.03,  0.03)
181:     bond    ( -4.168,  14.030, -42.962)  ( -4.168,  14.031, -42.950)  ( 0.00,  0.01,  0.03)
181:     angle   ( -2.135,  -0.984,  -0.114)  ( -2.132,  -0.982,  -0.114)  ( 0.13,  0.17,  0.00)
181:     torsion (  0.677,  -4.782,  -1.628)  (  0.677,  -4.782,  -1.628)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.689,   0.115,  -1.355)  ( -1.689,   0.115,  -1.355)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (  4.958,  25.627,  23.772)  (  5.299,  26.233,  22.406)  ( 6.88,  2.36,  5.74)
181:     bond    (-21.244,  25.105,   5.717)  (-21.230,  25.124,   5.718)  ( 0.06,  0.08,  0.02)
181:     angle   ( 48.589,  35.818,  23.035)  ( 48.594,  35.820,  23.036)  ( 0.01,  0.01,  0.01)
181:     torsion (  0.668,   0.795,  -1.016)  (  0.668,   0.796,  -1.015)  ( 0.00,  0.01,  0.08)
181:     oop     ( -1.540,  -2.789,   6.534)  ( -1.219,  -2.206,   5.165)  (20.84, 20.91, 20.95)
181:     vdw     (-21.515, -33.302, -10.497)  (-21.514, -33.301, -10.497)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (334.388, -338.993, 147.058)  (335.030, -337.932, 144.745)  ( 0.19,  0.31,  1.57)
181:     bond    (245.959, -148.392,  15.324)  (245.992, -148.360,  15.334)  ( 0.01,  0.02,  0.06)
181:     angle   (112.192, -138.270, -14.395)  (112.209, -138.258, -14.391)  ( 0.02,  0.01,  0.03)
181:     torsion (-32.536, -52.538, 128.814)  (-32.536, -52.537, 128.821)  ( 0.00,  0.00,  0.01)
181:     oop     ( -3.401,  -6.088,  13.818)  ( -2.811,  -5.072,  11.483)  (17.33, 16.68, 16.89)
181:     vdw     ( 12.174,   6.296,   3.499)  ( 12.175,   6.296,   3.499)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       ( -8.811, 126.417, -29.683)  ( -8.901, 126.178, -29.189)  ( 1.03,  0.19,  1.66)
181:     bond    (-53.853,  48.848,  13.498)  (-53.841,  48.858,  13.499)  ( 0.02,  0.02,  0.00)
181:     angle   (  9.070,   9.509,   1.761)  (  9.073,   9.511,   1.763)  ( 0.03,  0.02,  0.07)
181:     torsion ( 11.812,  29.617, -60.086)  ( 11.812,  29.617, -60.084)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.707,   1.694,  -3.314)  (  0.601,   1.442,  -2.824)  ( 7.48, 14.87, 14.78)
181:     vdw     ( 23.453,  36.748,  18.458)  ( 23.454,  36.749,  18.458)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-1129.448, 408.109, 803.258)  (-1125.406, 411.794, 805.177)  ( 0.36,  0.90,  0.24)
181:     bond    (-103.997, -219.107, -21.476)  (-103.967, -219.084, -21.459)  ( 0.03,  0.01,  0.08)
181:     angle   (-985.550, 675.773, 895.974)  (-985.487, 675.798, 896.010)  ( 0.01,  0.00,  0.00)
181:     torsion (-26.441, -47.964, -67.461)  (-26.439, -47.965, -67.460)  ( 0.01,  0.00,  0.00)
181:     oop     (-14.976, -16.611, -10.251)  (-11.030, -12.972,  -8.386)  (26.35, 21.91, 18.19)
181:     vdw     (  1.516,  16.018,   6.470)  (  1.516,  16.018,   6.470)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (  8.029, -76.726, 190.394)  (  9.000, -73.463, 192.664)  (12.09,  4.25,  1.19)
181:     bond    ( 15.804,  -6.508, 213.853)  ( 15.823,  -6.489, 213.880)  ( 0.12,  0.29,  0.01)
181:     angle   (  9.137, -63.701,  54.991)  (  9.152, -63.687,  55.003)  ( 0.17,  0.02,  0.02)
181:     torsion (-28.028, -14.619, -75.931)  (-28.027, -14.619, -75.931)  ( 0.00,  0.00,  0.00)
181:     oop     ( -2.980,  -7.720,  -5.117)  ( -2.045,  -4.489,  -2.888)  (31.36, 41.85, 43.56)
181:     vdw     ( 14.096,  15.821,   2.599)  ( 14.097,  15.821,   2.599)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (544.685, -647.845, 1144.815)  (544.894, -657.097, 1142.418)  ( 0.04,  1.43,  0.21)
181:     bond    (-40.591, 144.077, -20.199)  (-40.554, 144.089, -20.173)  ( 0.09,  0.01,  0.13)
181:     angle   (535.295, -1038.003, 1214.776)  (535.321, -1037.947, 1214.846)  ( 0.00,  0.01,  0.01)
181:     torsion ( 63.501, 230.066, -53.972)  ( 63.502, 230.066, -53.971)  ( 0.00,  0.00,  0.00)
181:     oop     ( -7.658,   9.010,   0.631)  ( -7.513,  -0.311,  -1.864)  ( 1.89, 103.45, 157.50)
181:     vdw     ( -5.862,   7.006,   3.579)  ( -5.862,   7.006,   3.579)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-25.017, -39.696, -27.520)  (-25.013, -39.690, -27.509)  ( 0.02,  0.01,  0.04)
181:     bond    ( -6.707, -23.865, -40.222)  ( -6.707, -23.862, -40.212)  ( 0.00,  0.01,  0.02)
181:     angle   (-28.615, -11.370,  11.517)  (-28.612, -11.367,  11.518)  ( 0.01,  0.02,  0.01)
181:     torsion ( -9.304, -13.104,   9.328)  ( -9.303, -13.104,   9.328)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 19.609,   8.643,  -8.142)  ( 19.610,   8.643,  -8.142)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       ( 14.290, -30.906,   7.031)  ( 14.305, -30.891,   7.038)  ( 0.10,  0.05,  0.10)
181:     bond    ( 22.217, -114.854,  49.575)  ( 22.229, -114.844,  49.577)  ( 0.05,  0.01,  0.01)
181:     angle   (-20.686,  71.228, -58.832)  (-20.684,  71.233, -58.828)  ( 0.01,  0.01,  0.01)
181:     torsion ( 13.827,   0.411,  30.482)  ( 13.827,   0.411,  30.482)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.068,  12.309, -14.194)  ( -1.067,  12.309, -14.194)  ( 0.06,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       (450.743, 515.255, -2323.120)  (436.192, 499.530, -2328.636)  ( 3.23,  3.05,  0.24)
181:     bond    ( 50.241,  79.598, -257.048)  ( 50.261,  79.608, -256.999)  ( 0.04,  0.01,  0.02)
181:     angle   (369.051, 422.919, -2133.459)  (369.088, 422.948, -2133.288)  ( 0.01,  0.01,  0.01)
181:     torsion ( 28.006, -43.443,  37.340)  ( 28.009, -43.441,  37.342)  ( 0.01,  0.00,  0.00)
181:     oop     ( 50.745,  61.195,  23.986)  ( 36.133,  45.430,  18.249)  (28.80, 25.76, 23.92)
181:     vdw     (-47.301,  -5.015,   6.060)  (-47.300,  -5.015,   6.061)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       ( 51.105,  27.669,  35.997)  ( 51.110,  27.681,  36.000)  ( 0.01,  0.05,  0.01)
181:     bond    (  1.170,  30.496,   9.172)  (  1.170,  30.509,   9.173)  ( 0.01,  0.04,  0.01)
181:     angle   ( 49.658,  -2.031,   0.416)  ( 49.663,  -2.031,   0.418)  ( 0.01,  0.01,  0.09)
181:     torsion (  2.337,  -6.343,  20.800)  (  2.338,  -6.343,  20.800)  ( 0.02,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.061,   5.547,   5.609)  ( -2.060,   5.547,   5.609)  ( 0.02,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       ( 17.575,  15.812,  76.004)  ( 27.725,  27.937,  79.728)  (57.75, 76.69,  4.90)
181:     bond    (-11.511,  -7.156,  55.081)  (-11.510,  -7.156,  55.112)  ( 0.01,  0.00,  0.06)
181:     angle   ( 72.532,  34.099,  19.577)  ( 72.536,  34.101,  19.577)  ( 0.01,  0.01,  0.00)
181:     torsion ( -1.053,  22.384,   2.687)  ( -1.052,  22.384,   2.687)  ( 0.08,  0.00,  0.00)
181:     oop     (-25.920, -32.157,  -9.588)  (-15.777, -20.034,  -5.896)  (39.13, 37.70, 38.51)
181:     vdw     (-16.473,  -1.358,   8.248)  (-16.473,  -1.358,   8.248)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       (-124.436, 149.496, -73.657)  (-124.401, 149.529, -73.624)  ( 0.03,  0.02,  0.05)
181:     bond    (-54.298,  27.135, -21.123)  (-54.277,  27.153, -21.103)  ( 0.04,  0.07,  0.09)
181:     angle   (-55.131,  89.961, -34.878)  (-55.117,  89.975, -34.865)  ( 0.03,  0.02,  0.04)
181:     torsion (-16.136,  28.776, -14.773)  (-16.135,  28.777, -14.772)  ( 0.01,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.128,   3.624,  -2.884)  (  1.128,   3.624,  -2.884)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (-116.990, -319.865, -110.155)  (-116.611, -313.758, -110.031)  ( 0.32,  1.91,  0.11)
181:     bond    (-13.024, -77.021, -88.008)  (-12.998, -77.001, -87.986)  ( 0.20,  0.03,  0.02)
181:     angle   (-117.161, -96.461, -91.911)  (-117.145, -96.444, -91.894)  ( 0.01,  0.02,  0.02)
181:     torsion ( 15.485, -125.268,  65.785)  ( 15.484, -125.267,  65.785)  ( 0.00,  0.00,  0.00)
181:     oop     ( -3.885, -13.509,   2.412)  ( -3.548,  -7.439,   2.497)  ( 8.67, 44.93,  3.51)
181:     vdw     (  1.595,  -7.606,   1.567)  (  1.595,  -7.606,   1.567)  ( 0.04,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       (  3.054, -23.873,   4.399)  (  3.084, -23.844,   4.428)  ( 0.96,  0.12,  0.68)
181:     bond    (-38.663,  58.600,  73.249)  (-38.645,  58.618,  73.268)  ( 0.05,  0.03,  0.03)
181:     angle   ( 39.290, -91.035, -16.476)  ( 39.300, -91.026, -16.467)  ( 0.02,  0.01,  0.06)
181:     torsion (-13.830,   1.214,  -8.197)  (-13.828,   1.216,  -8.196)  ( 0.01,  0.09,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 16.257,   7.348, -44.177)  ( 16.257,   7.348, -44.176)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       ( 24.770, -40.809,  19.275)  ( 24.799, -40.780,  19.305)  ( 0.12,  0.07,  0.15)
181:     bond    (-65.790, -42.791, -42.397)  (-65.771, -42.772, -42.379)  ( 0.03,  0.04,  0.04)
181:     angle   ( 59.888,   6.868,  55.833)  ( 59.898,   6.877,  55.842)  ( 0.02,  0.13,  0.02)
181:     torsion ( 14.868, -26.408,   5.091)  ( 14.869, -26.407,   5.093)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 15.803,  21.522,   0.748)  ( 15.803,  21.523,   0.748)  ( 0.00,  0.00,  0.02)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (175.072, 307.178, 222.264)  (171.760, 306.584, 225.028)  ( 1.89,  0.19,  1.24)
181:     bond    (-18.691,  91.685,  -4.967)  (-18.677,  91.723,  -4.945)  ( 0.08,  0.04,  0.46)
181:     angle   (177.843, 227.696, 192.642)  (177.853, 227.714, 192.653)  ( 0.01,  0.01,  0.01)
181:     torsion ( 15.791,   8.817,  10.030)  ( 15.789,   8.817,  10.029)  ( 0.01,  0.00,  0.01)
181:     oop     ( 18.033,   3.483, -15.083)  ( 14.697,   2.832, -12.352)  (18.50, 18.67, 18.10)
181:     vdw     (-17.903, -24.503,  39.642)  (-17.902, -24.502,  39.643)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (  1.947,  34.327,  35.635)  (  1.953,  34.333,  35.647)  ( 0.28,  0.02,  0.03)
181:     bond    ( -1.983,  13.556,  23.274)  ( -1.983,  13.560,  23.284)  ( 0.00,  0.03,  0.04)
181:     angle   ( 23.714,  18.764,  -8.910)  ( 23.718,  18.767,  -8.909)  ( 0.02,  0.01,  0.01)
181:     torsion (-41.237,  -3.500,  -1.473)  (-41.237,  -3.500,  -1.473)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 21.453,   5.506,  22.745)  ( 21.455,   5.507,  22.745)  ( 0.01,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       (-95.827, -365.974, -154.353)  (-95.148, -365.799, -154.908)  ( 0.71,  0.05,  0.36)
181:     bond    ( -0.397, -74.774, -11.245)  ( -0.385, -74.751, -11.230)  ( 0.50,  0.03,  0.13)
181:     angle   (-97.730, -272.875, -154.775)  (-97.726, -272.862, -154.770)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.280,  -0.075,   1.110)  ( -1.279,  -0.075,   1.111)  ( 0.04,  0.00,  0.03)
181:     oop     ( -5.427,  -1.063,   4.722)  ( -4.765,  -0.925,   4.146)  (12.21, 12.95, 12.20)
181:     vdw     (  9.007, -17.186,   5.835)  (  9.007, -17.185,   5.835)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       ( 19.888, -34.478,  16.641)  ( 19.895, -34.471,  16.646)  ( 0.04,  0.02,  0.03)
181:     bond    ( 24.111, -23.901,  16.691)  ( 24.116, -23.896,  16.693)  ( 0.02,  0.02,  0.02)
181:     angle   (-12.220, -17.328,  -7.151)  (-12.218, -17.326,  -7.150)  ( 0.01,  0.01,  0.02)
181:     torsion ( -0.732,   0.033,   1.104)  ( -0.732,   0.033,   1.104)  ( 0.01,  0.00,  0.04)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  8.729,   6.718,   5.998)  (  8.729,   6.718,   5.998)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       ( 10.450,  21.570, -36.828)  ( 10.456,  21.576, -36.821)  ( 0.06,  0.03,  0.02)
181:     bond    ( 19.250,  20.288, -23.061)  ( 19.254,  20.292, -23.056)  ( 0.02,  0.02,  0.02)
181:     angle   (-17.588,  -6.430, -20.346)  (-17.587,  -6.429, -20.345)  ( 0.01,  0.02,  0.01)
181:     torsion (  0.083,  -0.103,  -0.020)  (  0.084,  -0.103,  -0.020)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  8.706,   7.816,   6.600)  (  8.706,   7.816,   6.600)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       (-28.753,  26.112,  20.990)  (-28.749,  26.119,  20.998)  ( 0.02,  0.03,  0.04)
181:     bond    (-13.126,  21.965,  25.899)  (-13.124,  21.970,  25.906)  ( 0.01,  0.02,  0.03)
181:     angle   (-26.990,  -6.648,  -8.036)  (-26.987,  -6.647,  -8.035)  ( 0.01,  0.02,  0.01)
181:     torsion ( -0.164,   1.531,  -1.382)  ( -0.164,   1.531,  -1.382)  ( 0.00,  0.02,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 11.526,   9.265,   4.509)  ( 11.526,   9.265,   4.509)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       ( 20.537, -29.022,  23.780)  ( 20.545, -29.015,  23.784)  ( 0.04,  0.03,  0.02)
181:     bond    ( 24.834, -23.991,  13.351)  ( 24.840, -23.986,  13.352)  ( 0.02,  0.02,  0.01)
181:     angle   ( -6.292,   6.628,  23.610)  ( -6.291,   6.629,  23.612)  ( 0.02,  0.02,  0.01)
181:     torsion ( -6.259,  -5.825,   1.181)  ( -6.259,  -5.824,   1.181)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  8.254,  -5.834, -14.362)  (  8.254,  -5.834, -14.362)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       (-43.374,  -6.951, -15.471)  (-43.366,  -6.946, -15.466)  ( 0.02,  0.08,  0.03)
181:     bond    (-26.465, -20.050, -18.073)  (-26.458, -20.046, -18.070)  ( 0.03,  0.02,  0.02)
181:     angle   (-22.465,  13.906,  17.462)  (-22.463,  13.907,  17.463)  ( 0.01,  0.01,  0.01)
181:     torsion ( -1.086,   6.316,  -5.417)  ( -1.086,   6.316,  -5.417)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  6.642,  -7.123,  -9.443)  (  6.642,  -7.123,  -9.443)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( 15.948,  34.448, -19.332)  ( 15.953,  34.454, -19.324)  ( 0.03,  0.02,  0.04)
181:     bond    ( 16.798,  19.680, -23.891)  ( 16.801,  19.684, -23.884)  ( 0.02,  0.02,  0.03)
181:     angle   (-10.822,  23.211,  11.518)  (-10.821,  23.214,  11.520)  ( 0.01,  0.01,  0.01)
181:     torsion (  5.216,  -0.584,   3.188)  (  5.217,  -0.584,   3.188)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.757,  -7.860, -10.148)  (  4.757,  -7.860, -10.147)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       (163.604, 126.954, 197.382)  (163.610, 126.977, 197.389)  ( 0.00,  0.02,  0.00)
181:     bond    (-17.713,  74.435,  -9.634)  (-17.711,  74.458,  -9.633)  ( 0.01,  0.03,  0.01)
181:     angle   (116.974,  46.100, 141.246)  (116.977,  46.100, 141.250)  ( 0.00,  0.00,  0.00)
181:     torsion (  6.965,   0.874,  -6.054)  (  6.965,   0.874,  -6.054)  ( 0.01,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 57.378,   5.546,  71.824)  ( 57.379,   5.546,  71.826)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (-145.350,  50.635, -141.965)  (-143.708,  50.990, -143.276)  ( 1.13,  0.70,  0.92)
181:     bond    (  1.016,   4.265,   2.313)  (  1.017,   4.290,   2.320)  ( 0.14,  0.59,  0.32)
181:     angle   (-79.797,  65.627, -86.381)  (-79.793,  65.629, -86.377)  ( 0.00,  0.00,  0.00)
181:     torsion ( -5.607,  -1.263,   4.795)  ( -5.607,  -1.263,   4.794)  ( 0.01,  0.00,  0.01)
181:     oop     ( -7.179,  -1.487,   5.896)  ( -5.542,  -1.159,   4.573)  (22.81, 22.04, 22.44)
181:     vdw     (-53.784, -16.507, -68.588)  (-53.783, -16.507, -68.586)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 32 # gradients 
181: ok 33 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       ( 58.134, -10.875,  -0.081)  ( 58.181, -10.849,  -0.045)  ( 0.08,  0.25,  0.29)
181:     bond    ( 73.768, -13.768,   0.023)  ( 73.796, -13.759,   0.044)  ( 0.04,  0.07,  0.05)
181:     angle   ( 49.990,  -9.420,  -0.117)  ( 50.007,  -9.416,  -0.108)  ( 0.03,  0.05,  0.11)
181:     torsion (  0.011,   0.023,  -0.030)  (  0.011,   0.036,  -0.024)  ( 0.00,  0.03,  0.02)
181:     oop     (  0.000,   0.002,  -0.002)  (  0.000,   0.002,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (-65.635,  12.288,   0.045)  (-65.634,  12.288,   0.045)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       ( 17.936,  -8.798,  14.818)  ( 17.982,  -8.750,  14.845)  ( 0.26,  0.55,  0.18)
181:     bond    ( 92.410, -51.103, -50.286)  ( 92.439, -51.094, -50.266)  ( 0.03,  0.02,  0.04)
181:     angle   (-30.881,  18.740,  19.424)  (-30.868,  18.746,  19.435)  ( 0.04,  0.03,  0.06)
181:     torsion ( -1.948, -10.270,   6.861)  ( -1.947, -10.256,   6.867)  ( 0.03,  0.13,  0.09)
181:     oop     ( -0.022,  -0.118,   0.078)  ( -0.019,  -0.099,   0.066)  ( 0.01,  0.23,  0.10)
181:     vdw     (-41.623,  33.953,  38.741)  (-41.622,  33.954,  38.742)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       ( 15.352,  -1.265, -23.223)  ( 15.386,  -1.280, -23.156)  ( 0.22,  1.16,  0.29)
181:     bond    ( 13.918, -47.527, -68.607)  ( 13.946, -47.517, -68.587)  ( 0.20,  0.02,  0.03)
181:     angle   (-38.335,   4.459,  -1.411)  (-38.321,   4.465,  -1.400)  ( 0.04,  0.13,  0.81)
181:     torsion (  2.965,  11.890,  -8.461)  (  2.966,  11.904,  -8.455)  ( 0.02,  0.11,  0.07)
181:     oop     (  0.050,   0.265,  -0.177)  (  0.041,   0.221,  -0.147)  ( 0.04,  1.17,  0.53)
181:     vdw     ( 36.754,  29.647,  55.432)  ( 36.754,  29.648,  55.433)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (-40.712,   7.792,   0.007)  (-40.667,   7.823,   0.043)  ( 0.11,  0.40,  0.03)
181:     bond    (-109.736,  20.629,   0.231)  (-109.709,  20.639,   0.252)  ( 0.02,  0.05,  0.48)
181:     angle   ( 17.485,  -3.318,  -0.068)  ( 17.501,  -3.312,  -0.059)  ( 0.09,  0.20,  0.06)
181:     torsion ( -0.039,   0.145,  -0.122)  ( -0.038,   0.157,  -0.115)  ( 0.00,  0.17,  0.08)
181:     oop     ( -0.002,  -0.010,   0.005)  ( -0.001,  -0.008,   0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 51.579,  -9.654,  -0.040)  ( 51.581,  -9.653,  -0.039)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       ( 14.400,  -3.793,  22.280)  ( 14.450,  -3.723,  22.291)  ( 0.34,  1.86,  0.05)
181:     bond    ( 29.904,  39.139,  68.212)  ( 29.932,  39.148,  68.232)  ( 0.09,  0.02,  0.03)
181:     angle   (-37.521,   9.674,   1.433)  (-37.508,   9.680,   1.444)  ( 0.03,  0.07,  0.80)
181:     torsion ( -1.400, -11.441,   7.947)  ( -1.399, -11.427,   7.953)  ( 0.03,  0.12,  0.08)
181:     oop     ( -0.045,  -0.241,   0.160)  ( -0.037,  -0.200,   0.133)  ( 0.03,  0.98,  0.42)
181:     vdw     ( 23.462, -40.924, -55.472)  ( 23.462, -40.924, -55.471)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       ( 20.073,   0.769, -14.669)  ( 20.113,   0.780, -14.618)  ( 0.20,  0.86,  0.34)
181:     bond    (104.923,  13.970,  49.896)  (104.952,  13.980,  49.916)  ( 0.03,  0.07,  0.04)
181:     angle   (-35.503,  -6.310, -19.372)  (-35.489,  -6.305, -19.361)  ( 0.04,  0.08,  0.06)
181:     torsion (  1.762,   9.580,  -6.418)  (  1.763,   9.594,  -6.412)  ( 0.02,  0.14,  0.09)
181:     oop     (  0.020,   0.108,  -0.072)  (  0.017,   0.091,  -0.061)  ( 0.01,  0.18,  0.08)
181:     vdw     (-51.130, -16.580, -38.702)  (-51.129, -16.579, -38.701)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       ( 35.266,  -6.336,  -0.207)  ( 35.310,  -6.298,  -0.180)  ( 0.12,  0.59,  0.57)
181:     bond    ( 27.589,  -4.880,  -0.212)  ( 27.616,  -4.858,  -0.203)  ( 0.10,  0.44,  0.17)
181:     angle   ( 11.180,  -2.101,   0.012)  ( 11.195,  -2.091,   0.018)  ( 0.14,  0.46,  0.01)
181:     torsion ( -0.002,  -0.016,   0.003)  ( -0.002,  -0.011,   0.015)  ( 0.00,  0.01,  0.00)
181:     oop     (  0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.501,   0.661,  -0.010)  ( -3.500,   0.662,  -0.009)  ( 0.04,  0.02,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (-67.073,  -4.316,  14.211)  (-67.033,  -4.278,  14.239)  ( 0.06,  0.89,  0.20)
181:     bond    (-28.824, -42.695,  28.615)  (-28.796, -42.676,  28.622)  ( 0.10,  0.04,  0.03)
181:     angle   ( -8.910, -51.456,  31.603)  ( -8.899, -51.445,  31.607)  ( 0.12,  0.02,  0.01)
181:     torsion (  0.402,   2.129,   3.572)  (  0.402,   2.134,   3.587)  ( 0.01,  0.25,  0.41)
181:     oop     ( -0.001,  -0.006,  -0.010)  ( -0.001,  -0.005,  -0.008)  ( 0.00,  0.00,  0.00)
181:     vdw     (-29.740,  87.712, -49.570)  (-29.740,  87.714, -49.569)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (252.726, 124.577, -102.566)  (252.769, 124.618, -102.539)  ( 0.02,  0.03,  0.03)
181:     bond    ( -4.102,  -5.208,   3.529)  ( -4.072,  -5.183,   3.537)  ( 0.72,  0.48,  0.24)
181:     angle   (190.866,  62.770, -58.735)  (190.879,  62.781, -58.731)  ( 0.01,  0.02,  0.01)
181:     torsion ( -0.008,  -0.046,  -0.082)  ( -0.008,  -0.041,  -0.069)  ( 0.00,  0.02,  0.11)
181:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 65.970,  67.061, -47.275)  ( 65.971,  67.062, -47.275)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (-228.789,  42.830,   0.196)  (-228.758,  42.865,   0.217)  ( 0.01,  0.08,  0.40)
181:     bond    (-23.988,   4.534,  -0.038)  (-23.972,   4.563,  -0.027)  ( 0.07,  0.64,  0.04)
181:     angle   (-243.722,  45.545,   0.214)  (-243.707,  45.548,   0.216)  ( 0.01,  0.01,  0.03)
181:     torsion (  0.006,   0.031,   0.048)  (  0.006,   0.034,   0.056)  ( 0.00,  0.01,  0.04)
181:     oop     (  0.000,   0.001,   0.002)  (  0.000,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 38.914,  -7.281,  -0.030)  ( 38.915,  -7.281,  -0.030)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (190.044, -207.691, 102.032)  (190.089, -207.650, 102.060)  ( 0.02,  0.02,  0.03)
181:     bond    ( -2.495,   6.201,  -3.435)  ( -2.461,   6.222,  -3.426)  ( 1.33,  0.34,  0.25)
181:     angle   (155.225, -127.437,  58.396)  (155.236, -127.424,  58.400)  ( 0.01,  0.01,  0.01)
181:     torsion ( -0.012,  -0.067,  -0.118)  ( -0.012,  -0.062,  -0.105)  ( 0.00,  0.03,  0.15)
181:     oop     ( -0.001,  -0.004,  -0.006)  ( -0.001,  -0.003,  -0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 37.327, -86.385,  47.195)  ( 37.327, -86.383,  47.195)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-60.187,  27.700, -13.820)  (-60.146,  27.735, -13.795)  ( 0.07,  0.13,  0.18)
181:     bond    (-10.799,  49.795, -28.441)  (-10.771,  49.815, -28.434)  ( 0.25,  0.04,  0.03)
181:     angle   ( 10.364,  51.026, -31.537)  ( 10.376,  51.036, -31.533)  ( 0.12,  0.02,  0.01)
181:     torsion ( -0.390,  -2.077,  -3.496)  ( -0.390,  -2.071,  -3.481)  ( 0.01,  0.25,  0.42)
181:     oop     (  0.002,   0.008,   0.013)  (  0.001,   0.007,   0.011)  ( 0.00,  0.00,  0.00)
181:     vdw     (-59.364, -71.052,  49.642)  (-59.362, -71.051,  49.643)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       ( -0.582,   7.403,  -4.825)  ( -0.574,   7.413,  -4.817)  ( 0.48,  0.13,  0.17)
181:     bond    (  6.712,   7.382,  -5.157)  (  6.717,   7.388,  -5.154)  ( 0.08,  0.09,  0.06)
181:     angle   ( -8.182,   5.707,  -2.478)  ( -8.180,   5.708,  -2.478)  ( 0.03,  0.02,  0.01)
181:     torsion ( -0.038,  -0.202,  -0.342)  ( -0.038,  -0.201,  -0.338)  ( 0.00,  0.03,  0.13)
181:     oop     ( -0.001,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.927,  -5.481,   3.157)  (  0.927,  -5.481,   3.157)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       (-56.958,  -6.366,  10.362)  (-56.952,  -6.354,  10.368)  ( 0.01,  0.18,  0.06)
181:     bond    ( -5.954,  11.782,  -6.350)  ( -5.952,  11.792,  -6.347)  ( 0.04,  0.08,  0.05)
181:     angle   (-53.718, -18.080,  16.780)  (-53.714, -18.080,  16.780)  ( 0.01,  0.00,  0.00)
181:     torsion (  0.017,   0.088,   0.147)  (  0.017,   0.089,   0.150)  ( 0.00,  0.01,  0.04)
181:     oop     (  0.000,   0.000,   0.001)  (  0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.697,  -0.156,  -0.215)  (  2.697,  -0.156,  -0.215)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       ( -9.625, -15.532, -18.122)  ( -9.591, -15.488, -18.101)  ( 0.34,  0.28,  0.12)
181:     bond    (-59.579, -42.061, -79.510)  (-59.561, -42.043, -79.491)  ( 0.03,  0.04,  0.02)
181:     angle   ( 48.208,  11.512,  31.711)  ( 48.218,  11.520,  31.720)  ( 0.02,  0.07,  0.03)
181:     torsion ( -3.549,  -1.214,   3.285)  ( -3.548,  -1.211,   3.286)  ( 0.03,  0.28,  0.05)
181:     oop     ( -0.015,  -0.082,   0.055)  ( -0.013,  -0.068,   0.045)  ( 0.00,  0.12,  0.05)
181:     vdw     (  5.311,  16.313,  26.338)  (  5.312,  16.313,  26.338)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       (-58.385,  10.937,   0.090)  (-58.367,  10.941,   0.094)  ( 0.03,  0.04,  0.04)
181:     bond    (-50.199,   9.397,   0.031)  (-50.181,   9.397,   0.030)  ( 0.04,  0.00,  0.00)
181:     angle   (  0.005,   0.027,   0.040)  (  0.005,   0.028,   0.044)  ( 0.00,  0.00,  0.01)
181:     torsion ( -0.003,  -0.020,   0.011)  ( -0.003,  -0.018,   0.012)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.188,   1.535,   0.008)  ( -8.188,   1.535,   0.008)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       (-49.770,  31.442,  33.871)  (-49.762,  31.448,  33.884)  ( 0.02,  0.02,  0.04)
181:     bond    (-19.987,  26.705,  34.335)  (-19.984,  26.711,  34.344)  ( 0.02,  0.02,  0.03)
181:     angle   (  8.426,   1.110,   4.041)  (  8.430,   1.110,   4.042)  ( 0.05,  0.01,  0.02)
181:     torsion ( -0.173,  -0.918,   0.610)  ( -0.173,  -0.915,   0.611)  ( 0.00,  0.20,  0.06)
181:     oop     (  0.002,   0.010,  -0.007)  (  0.002,   0.009,  -0.006)  ( 0.00,  0.00,  0.00)
181:     vdw     (-38.038,   4.533,  -5.108)  (-38.037,   4.533,  -5.107)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       ( -3.379,  17.606,  18.634)  ( -3.351,  17.623,  18.673)  ( 0.84,  0.10,  0.21)
181:     bond    (-40.343,  60.834,  79.794)  (-40.326,  60.853,  79.813)  ( 0.04,  0.03,  0.02)
181:     angle   ( 40.876, -28.301, -31.675)  ( 40.887, -28.294, -31.666)  ( 0.03,  0.03,  0.03)
181:     torsion ( -2.934,   2.121,  -3.092)  ( -2.933,   2.124,  -3.090)  ( 0.05,  0.15,  0.05)
181:     oop     (  0.014,   0.074,  -0.049)  (  0.011,   0.061,  -0.041)  ( 0.00,  0.09,  0.04)
181:     vdw     ( -0.992, -17.122, -26.344)  ( -0.991, -17.122, -26.343)  ( 0.08,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       (-57.727, -11.202, -33.706)  (-57.717, -11.194, -33.695)  ( 0.02,  0.07,  0.03)
181:     bond    (-28.238, -17.597, -34.196)  (-28.231, -17.594, -34.186)  ( 0.02,  0.01,  0.03)
181:     angle   (  7.423,  -4.071,  -4.039)  (  7.426,  -4.070,  -4.038)  ( 0.04,  0.02,  0.02)
181:     torsion (  0.171,   0.926,  -0.620)  (  0.171,   0.928,  -0.619)  ( 0.00,  0.21,  0.06)
181:     oop     ( -0.002,  -0.011,   0.007)  ( -0.002,  -0.009,   0.006)  ( 0.00,  0.00,  0.00)
181:     vdw     (-37.082,   9.551,   5.142)  (-37.081,   9.551,   5.142)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       ( -3.086,  -6.733,   4.771)  ( -3.080,  -6.722,   4.778)  ( 0.18,  0.17,  0.14)
181:     bond    (  3.610,  -9.358,   5.158)  (  3.612,  -9.348,   5.162)  ( 0.04,  0.11,  0.06)
181:     angle   ( -9.573,  -2.338,   2.462)  ( -9.570,  -2.338,   2.462)  ( 0.04,  0.01,  0.01)
181:     torsion (  0.035,   0.184,   0.307)  (  0.035,   0.185,   0.311)  ( 0.00,  0.02,  0.12)
181:     oop     (  0.000,   0.002,   0.004)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.842,   4.777,  -3.160)  (  2.842,   4.777,  -3.160)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (-50.786,  26.653, -10.315)  (-50.777,  26.662, -10.309)  ( 0.02,  0.03,  0.06)
181:     bond    ( -9.730,  -8.776,   6.304)  ( -9.723,  -8.770,   6.307)  ( 0.07,  0.06,  0.05)
181:     angle   (-43.615,  36.322, -16.724)  (-43.613,  36.324, -16.723)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.012,  -0.064,  -0.108)  ( -0.012,  -0.063,  -0.105)  ( 0.00,  0.01,  0.03)
181:     oop     (  0.000,   0.001,   0.002)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.571,  -0.830,   0.211)  (  2.571,  -0.830,   0.211)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       ( 18.552, -36.973,  15.506)  ( 18.557, -36.964,  15.511)  ( 0.03,  0.02,  0.04)
181:     bond    ( 19.795, -29.611,  20.399)  ( 19.798, -29.604,  20.402)  ( 0.02,  0.02,  0.02)
181:     angle   (  2.872,  -9.105, -16.001)  (  2.874,  -9.104, -15.999)  ( 0.06,  0.02,  0.01)
181:     torsion ( -4.473,  -0.508,   3.603)  ( -4.472,  -0.508,   3.603)  ( 0.01,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.357,   2.251,   7.504)  (  0.357,   2.251,   7.504)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       ( 36.577,  15.060, -24.810)  ( 36.584,  15.067, -24.806)  ( 0.02,  0.05,  0.02)
181:     bond    ( 27.162,  26.884, -15.139)  ( 27.168,  26.890, -15.137)  ( 0.02,  0.02,  0.01)
181:     angle   (  2.427,  -9.455, -12.439)  (  2.428,  -9.453, -12.436)  ( 0.05,  0.01,  0.02)
181:     torsion (  6.153,  -6.780,  -0.999)  (  6.153,  -6.779,  -0.999)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.835,   4.410,   3.766)  (  0.835,   4.410,   3.766)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       (-11.279,  28.142,  28.721)  (-11.271,  28.148,  28.729)  ( 0.06,  0.02,  0.03)
181:     bond    (-22.714,  19.690,  26.873)  (-22.710,  19.693,  26.879)  ( 0.02,  0.02,  0.02)
181:     angle   (-25.556,  -5.794, -17.347)  (-25.554,  -5.793, -17.346)  ( 0.01,  0.03,  0.01)
181:     torsion (  0.856,   6.699,  -4.185)  (  0.856,   6.700,  -4.185)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 36.135,   7.547,  23.381)  ( 36.136,   7.547,  23.381)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       ( 30.867,  27.740, -15.486)  ( 30.875,  27.745, -15.480)  ( 0.03,  0.02,  0.04)
181:     bond    ( 29.150,  20.548, -20.555)  ( 29.157,  20.551, -20.551)  ( 0.02,  0.02,  0.02)
181:     angle   (  5.951,   7.443,  15.888)  (  5.952,   7.445,  15.890)  ( 0.02,  0.03,  0.01)
181:     torsion ( -3.753,   1.953,  -3.371)  ( -3.753,   1.953,  -3.371)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.482,  -2.204,  -7.448)  ( -0.482,  -2.204,  -7.448)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       (-20.778, -21.871, -28.929)  (-20.769, -21.868, -28.921)  ( 0.04,  0.02,  0.03)
181:     bond    (-28.443, -10.256, -26.879)  (-28.436, -10.256, -26.873)  ( 0.02,  0.01,  0.02)
181:     angle   (-21.731,  14.745,  17.364)  (-21.729,  14.747,  17.365)  ( 0.01,  0.01,  0.01)
181:     torsion ( -1.517,  -6.225,   3.980)  ( -1.517,  -6.224,   3.980)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 30.913, -20.135, -23.394)  ( 30.913, -20.135, -23.394)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       ( 28.514, -27.461,  24.727)  ( 28.519, -27.450,  24.731)  ( 0.01,  0.04,  0.02)
181:     bond    ( 15.752, -34.951,  15.142)  ( 15.753, -34.941,  15.143)  ( 0.01,  0.03,  0.01)
181:     angle   (  5.736,   7.985,  12.454)  (  5.737,   7.985,  12.456)  ( 0.03,  0.01,  0.02)
181:     torsion (  7.864,   3.952,   0.936)  (  7.865,   3.952,   0.936)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.837,  -4.447,  -3.804)  ( -0.837,  -4.446,  -3.804)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 34 # gradients 
181: ok 35 # energy 
181: 
181: V A L I D A T E   G R A D I E N T S
181: 
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (-90.675, -167.099, -64.344)  (-87.455, -178.051, -63.759)  ( 3.55,  6.55,  0.91)
181:     bond    (-33.270, -17.000, -46.382)  (-33.242, -16.994, -46.354)  ( 0.08,  0.04,  0.06)
181:     angle   (-62.913, -173.302, -32.437)  (-62.903, -173.290, -32.425)  ( 0.02,  0.01,  0.03)
181:     torsion (  6.086, -15.462,   0.527)  (  6.087, -15.461,   0.527)  ( 0.01,  0.01,  0.01)
181:     oop     ( -8.054,  28.772,  -1.032)  ( -4.873,  17.801,  -0.487)  (39.50, 38.13, 52.84)
181:     vdw     (  7.475,   9.893,  14.979)  (  7.476,   9.893,  14.979)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-103.146,  41.250,  84.469)  (-103.105,  45.401,  84.027)  ( 0.04, 10.06,  0.52)
181:     bond    (-30.404, -27.951, -31.777)  (-30.376, -27.932, -31.758)  ( 0.09,  0.07,  0.06)
181:     angle   (-31.174,  77.031,  52.648)  (-31.161,  77.043,  52.663)  ( 0.04,  0.02,  0.03)
181:     torsion ( -4.894,   4.019,   4.600)  ( -4.893,   4.020,   4.601)  ( 0.02,  0.03,  0.02)
181:     oop     ( -0.033, -10.860,   1.008)  ( -0.033,  -6.741,   0.530)  ( 0.00, 37.93, 47.45)
181:     vdw     (-36.642,  -0.989,  57.990)  (-36.641,  -0.988,  57.991)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (-62.268, -66.625,  80.948)  (-60.276, -70.837,  80.021)  ( 3.20,  6.32,  1.15)
181:     bond    ( 20.613,  26.346,  38.389)  ( 20.632,  26.366,  38.415)  ( 0.09,  0.08,  0.07)
181:     angle   (-17.393, -79.455,  -0.302)  (-17.378, -79.443,  -0.289)  ( 0.08,  0.02,  0.39)
181:     torsion ( -4.249,  -5.163,   1.764)  ( -4.248,  -5.162,   1.765)  ( 0.03,  0.03,  0.04)
181:     oop     ( -4.557,  10.144,   2.339)  ( -2.602,   5.897,   1.371)  (42.91, 41.86, 41.37)
181:     vdw     (-56.682, -18.496,  38.758)  (-56.680, -18.496,  38.759)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       ( -5.276, 111.452,  24.795)  ( -9.577, 124.457,  23.520)  (81.52, 11.67,  5.14)
181:     bond    (  5.718, -13.679,   1.610)  (  5.745, -13.670,   1.639)  ( 0.49,  0.07,  1.86)
181:     angle   ( -4.728, 149.502,  36.591)  ( -4.717, 149.515,  36.602)  ( 0.23,  0.01,  0.03)
181:     torsion ( -4.261,  13.887,  -0.390)  ( -4.260,  13.888,  -0.390)  ( 0.01,  0.01,  0.01)
181:     oop     ( 10.173, -30.870,   2.958)  (  5.833, -17.888,   1.640)  (42.67, 42.05, 44.54)
181:     vdw     (-12.177,  -7.388, -15.973)  (-12.177,  -7.388, -15.972)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (102.097, -25.297, -59.457)  (102.166, -29.987, -58.713)  ( 0.07, 18.54,  1.25)
181:     bond    ( 25.868,  27.546,  31.723)  ( 25.896,  27.565,  31.742)  ( 0.11,  0.07,  0.06)
181:     angle   ( 24.790, -68.458, -33.211)  ( 24.803, -68.446, -33.196)  ( 0.05,  0.02,  0.05)
181:     torsion (  3.373,  -3.168,  -4.940)  (  3.374,  -3.167,  -4.939)  ( 0.03,  0.04,  0.02)
181:     oop     ( -0.050,  11.256,  -1.573)  ( -0.023,   6.533,  -0.866)  ( 0.14, 41.96, 44.95)
181:     vdw     ( 48.115,   7.528, -51.455)  ( 48.116,   7.528, -51.453)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       ( 79.570,  81.165, -78.597)  ( 78.042,  84.901, -77.656)  ( 1.92,  4.60,  1.20)
181:     bond    (-19.273, -25.557, -37.733)  (-19.254, -25.537, -37.706)  ( 0.10,  0.08,  0.07)
181:     angle   ( 29.490,  90.204,  -7.490)  ( 29.505,  90.216,  -7.477)  ( 0.05,  0.01,  0.17)
181:     torsion (  3.940,   6.176,  -2.944)  (  3.941,   6.178,  -2.943)  ( 0.03,  0.02,  0.02)
181:     oop     (  3.919,  -9.828,  -2.445)  (  2.355,  -6.125,  -1.545)  (39.91, 37.67, 36.82)
181:     vdw     ( 61.493,  20.170, -27.985)  ( 61.495,  20.171, -27.985)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (-43.204, -52.831, -65.365)  (-40.815, -56.811, -63.752)  ( 5.53,  7.53,  2.47)
181:     bond    (  0.620,   1.263,   1.049)  (  0.640,   1.284,   1.072)  ( 1.25,  1.69,  2.16)
181:     angle   (-13.478, -60.077, -32.968)  (-13.467, -60.067, -32.957)  ( 0.08,  0.02,  0.03)
181:     torsion ( -0.041,   0.026,   0.006)  ( -0.041,   0.027,   0.006)  ( 0.00,  0.00,  0.00)
181:     oop     ( -5.566,   9.470,  -3.724)  ( -3.208,   5.458,  -2.146)  (42.36, 42.37, 42.38)
181:     vdw     (-24.739,  -3.513, -29.728)  (-24.739,  -3.513, -29.727)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (590.421, -413.338, -453.174)  (588.830, -410.163, -454.033)  ( 0.27,  0.77,  0.19)
181:     bond    (281.609, -267.251, -266.649)  (281.625, -267.221, -266.622)  ( 0.01,  0.01,  0.01)
181:     angle   (301.536, -151.745, -201.468)  (301.544, -151.733, -201.459)  ( 0.00,  0.01,  0.00)
181:     torsion ( -3.751,   8.569,  -5.610)  ( -3.751,   8.569,  -5.608)  ( 0.00,  0.00,  0.03)
181:     oop     (  4.159,  -7.991,   2.085)  (  2.544,  -4.858,   1.187)  (38.83, 39.21, 43.09)
181:     vdw     (  6.867,   5.080,  18.468)  (  6.868,   5.080,  18.469)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-252.186,  46.511, 376.531)  (-252.182,  46.516, 376.551)  ( 0.00,  0.01,  0.01)
181:     bond    (-119.597, -128.814, 352.507)  (-119.596, -128.812, 352.526)  ( 0.00,  0.00,  0.01)
181:     angle   (-145.561, 173.633,  14.064)  (-145.558, 173.636,  14.065)  ( 0.00,  0.00,  0.01)
181:     torsion (  3.858,  -1.278,   0.842)  (  3.858,  -1.278,   0.842)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  9.114,   2.971,   9.118)  (  9.114,   2.971,   9.118)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (-174.814, 414.517, 106.449)  (-174.811, 414.541, 106.453)  ( 0.00,  0.01,  0.00)
181:     bond    (-38.911, 392.669, -61.048)  (-38.912, 392.692, -61.049)  ( 0.00,  0.01,  0.00)
181:     angle   (-127.613,  12.252, 160.145)  (-127.610,  12.252, 160.149)  ( 0.00,  0.00,  0.00)
181:     torsion ( -2.732,  -0.720,  -2.890)  ( -2.732,  -0.720,  -2.890)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.557,  10.317,  10.242)  ( -5.557,  10.317,  10.242)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (-20.966, -20.102,   4.975)  (-20.928, -20.032,   4.860)  ( 0.18,  0.35,  2.30)
181:     bond    (-41.860,  12.275,   5.586)  (-41.836,  12.302,   5.588)  ( 0.06,  0.22,  0.04)
181:     angle   ( 69.839, -39.509, -31.067)  ( 69.854, -39.497, -31.064)  ( 0.02,  0.03,  0.01)
181:     torsion ( -0.189,  -6.630,  19.989)  ( -0.189,  -6.629,  20.004)  ( 0.00,  0.01,  0.08)
181:     oop     (  0.011,  -0.185,   0.813)  (  0.009,  -0.153,   0.679)  ( 0.00,  0.58, 10.96)
181:     vdw     (-48.767,  13.946,   9.654)  (-48.766,  13.946,   9.654)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-48.581,  -9.470, -19.172)  (-48.539,  -9.460, -19.017)  ( 0.09,  0.10,  0.81)
181:     bond    ( -0.522,  -5.772,  -1.974)  ( -0.494,  -5.746,  -1.972)  ( 1.41,  0.45,  0.11)
181:     angle   ( -0.732,  44.691,  10.937)  ( -0.720,  44.702,  10.937)  ( 0.94,  0.03,  0.01)
181:     torsion ( -0.099,   3.487, -16.209)  ( -0.099,   3.488, -16.189)  ( 0.00,  0.03,  0.12)
181:     oop     ( -0.009,   0.183,  -0.813)  ( -0.008,   0.154,  -0.681)  ( 0.00,  0.55, 10.78)
181:     vdw     (-47.219, -52.059, -11.113)  (-47.218, -52.058, -11.113)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (  9.293, -180.393, -83.284)  (  9.342, -180.430, -82.952)  ( 0.53,  0.02,  0.40)
181:     bond    ( 24.471,  24.991,   4.696)  ( 24.500,  25.014,   4.698)  ( 0.12,  0.09,  0.05)
181:     angle   ( 25.642, -148.454, -38.576)  ( 25.652, -148.439, -38.575)  ( 0.04,  0.01,  0.00)
181:     torsion ( -0.403,   5.757, -21.735)  ( -0.403,   5.759, -21.714)  ( 0.00,  0.02,  0.09)
181:     oop     ( -0.046,   0.462,  -1.801)  ( -0.038,   0.384,  -1.493)  ( 0.04,  3.62, 17.10)
181:     vdw     (-40.370, -63.151, -25.868)  (-40.369, -63.148, -25.869)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       (-42.054, 117.304,  95.769)  (-42.015, 117.511,  95.181)  ( 0.09,  0.18,  0.61)
181:     bond    ( 37.481,  29.457,   7.570)  ( 37.518,  29.484,   7.573)  ( 0.10,  0.09,  0.04)
181:     angle   (-87.919, 119.484,  35.823)  (-87.903, 119.502,  35.823)  ( 0.02,  0.02,  0.00)
181:     torsion (  0.037, -18.981,  76.061)  (  0.037, -18.979,  76.080)  ( 0.00,  0.01,  0.03)
181:     oop     (  0.098,  -0.925,   3.573)  (  0.082,  -0.766,   2.961)  ( 0.16, 14.72, 17.12)
181:     vdw     (  8.249, -11.731, -27.257)  (  8.251, -11.730, -27.257)  ( 0.02,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       ( -1.243,  58.634, -46.276)  ( -1.214,  58.603, -45.898)  ( 2.34,  0.05,  0.82)
181:     bond    (-12.815, -46.771, -13.270)  (-12.788, -46.744, -13.267)  ( 0.21,  0.06,  0.02)
181:     angle   (-11.262,  40.158,  14.208)  (-11.244,  40.172,  14.209)  ( 0.15,  0.04,  0.01)
181:     torsion ( -0.183,  11.511, -45.098)  ( -0.182,  11.513, -45.079)  ( 0.01,  0.02,  0.04)
181:     oop     (  0.104,   0.467,  -2.195)  (  0.086,   0.393,  -1.840)  ( 0.19,  3.49, 16.15)
181:     vdw     ( 22.912,  53.269,   0.079)  ( 22.914,  53.270,   0.079)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       (-70.569,  83.859,  43.385)  (-70.528,  83.986,  43.087)  ( 0.06,  0.15,  0.69)
181:     bond    ( 43.014,  -9.899,   0.673)  ( 43.044,  -9.875,   0.676)  ( 0.07,  0.23,  0.16)
181:     angle   (-68.869,  37.289,   8.467)  (-68.859,  37.304,   8.468)  ( 0.01,  0.04,  0.01)
181:     torsion (  0.769,  -2.246,  11.569)  (  0.769,  -2.244,  11.589)  ( 0.00,  0.06,  0.17)
181:     oop     ( -0.003,  -0.515,   1.925)  ( -0.002,  -0.430,   1.604)  ( 0.00,  4.40, 16.70)
181:     vdw     (-45.480,  59.229,  20.751)  (-45.480,  59.232,  20.751)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       (-192.991, -395.724, -129.219)  (-192.952, -395.744, -128.985)  ( 0.02,  0.00,  0.18)
181:     bond    (-83.920, -169.485,  -3.556)  (-83.894, -169.461,  -3.554)  ( 0.03,  0.01,  0.05)
181:     angle   (-42.478, -50.466,  12.902)  (-42.472, -50.457,  12.906)  ( 0.01,  0.02,  0.03)
181:     torsion ( -6.887,  -7.603,  23.877)  ( -6.886,  -7.602,  23.883)  ( 0.01,  0.00,  0.02)
181:     oop     ( -0.030,   0.296,  -1.145)  ( -0.024,   0.239,  -0.925)  ( 0.02,  1.68, 19.26)
181:     vdw     (-59.677, -168.466, -161.298)  (-59.676, -168.463, -161.295)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (112.561, 217.395, -31.782)  (112.595, 217.437, -31.748)  ( 0.03,  0.02,  0.11)
181:     bond    (-49.686, 185.503,  41.124)  (-49.667, 185.531,  41.145)  ( 0.04,  0.02,  0.05)
181:     angle   ( 82.350,  40.943, -55.198)  ( 82.361,  40.956, -55.186)  ( 0.01,  0.03,  0.02)
181:     torsion ( 14.356,   1.064, -19.115)  ( 14.358,   1.065, -19.114)  ( 0.01,  0.09,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 65.542, -10.115,   1.408)  ( 65.543, -10.115,   1.408)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       ( -7.556, -40.622,  47.751)  ( -7.528, -40.592,  47.780)  ( 0.37,  0.07,  0.06)
181:     bond    (  8.410,  11.000, -20.862)  (  8.429,  11.018, -20.842)  ( 0.22,  0.17,  0.10)
181:     angle   (-22.599, -32.864,  60.998)  (-22.591, -32.855,  61.007)  ( 0.04,  0.03,  0.01)
181:     torsion ( -9.611,  -2.930,  -2.776)  ( -9.609,  -2.929,  -2.775)  ( 0.01,  0.04,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 16.243, -15.827,  10.390)  ( 16.243, -15.827,  10.390)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       (  1.672, -290.290,   5.310)  (  1.753, -290.231,   5.260)  ( 4.83,  0.02,  0.95)
181:     bond    ( 48.860, -351.645,  36.679)  ( 48.891, -351.609,  36.683)  ( 0.06,  0.01,  0.01)
181:     angle   ( 22.349, 106.451, -23.941)  ( 22.368, 106.474, -23.939)  ( 0.09,  0.02,  0.01)
181:     torsion (-11.068,   6.550,   9.919)  (-11.065,   6.550,   9.936)  ( 0.03,  0.01,  0.17)
181:     oop     ( -0.208,   0.011,   0.576)  ( -0.182,   0.010,   0.502)  ( 0.55,  0.00,  4.26)
181:     vdw     (-58.262, -51.657, -17.922)  (-58.260, -51.656, -17.922)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (119.256, 619.890,  24.768)  (119.296, 619.932,  24.770)  ( 0.03,  0.01,  0.01)
181:     bond    (128.450, 492.247,  22.211)  (128.464, 492.286,  22.213)  ( 0.01,  0.01,  0.01)
181:     angle   (-17.445,  89.502, -16.170)  (-17.428,  89.506, -16.167)  ( 0.09,  0.00,  0.01)
181:     torsion (-10.722,   1.793,  30.081)  (-10.721,   1.793,  30.093)  ( 0.02,  0.00,  0.04)
181:     oop     (  0.038,   0.000,  -0.106)  (  0.044,  -0.002,  -0.120)  ( 0.02,  0.00,  0.14)
181:     vdw     ( 18.935,  36.347, -11.248)  ( 18.937,  36.348, -11.248)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (-31.149, -65.327,   7.485)  (-31.139, -65.263,   7.617)  ( 0.03,  0.10,  1.77)
181:     bond    (-184.821, -85.790, -66.524)  (-184.791, -85.756, -66.519)  ( 0.02,  0.04,  0.01)
181:     angle   (174.270, -73.330,  73.268)  (174.287, -73.310,  73.269)  ( 0.01,  0.03,  0.00)
181:     torsion ( -3.641,   0.520,   8.689)  ( -3.637,   0.520,   8.711)  ( 0.09,  0.01,  0.25)
181:     oop     (  0.165,  -0.030,  -0.436)  (  0.125,  -0.023,  -0.332)  ( 0.66,  0.02,  4.54)
181:     vdw     (-17.123,  93.304,  -7.512)  (-17.123,  93.307,  -7.512)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       (-23.983, -22.539, -15.355)  (-23.974, -22.473, -15.214)  ( 0.04,  0.29,  0.92)
181:     bond    (107.750, -252.321,  56.463)  (107.775, -252.281,  56.468)  ( 0.02,  0.02,  0.01)
181:     angle   (-188.480, 168.110, -74.826)  (-188.460, 168.128, -74.824)  ( 0.01,  0.01,  0.00)
181:     torsion (  4.764,  -0.733, -12.644)  (  4.767,  -0.733, -12.617)  ( 0.08,  0.01,  0.21)
181:     oop     (  0.167,  -0.024,  -0.427)  (  0.126,  -0.018,  -0.319)  ( 0.69,  0.02,  4.59)
181:     vdw     ( 51.816,  62.429,  16.078)  ( 51.817,  62.430,  16.078)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       (-340.956, 471.644, -155.708)  (-340.799, 471.689, -155.922)  ( 0.05,  0.01,  0.14)
181:     bond    (-87.772, 315.177, -53.391)  (-87.729, 315.209, -53.383)  ( 0.05,  0.01,  0.01)
181:     angle   (-266.595, 179.453, -119.794)  (-266.580, 179.480, -119.794)  ( 0.01,  0.02,  0.00)
181:     torsion ( -3.047,   0.367,   8.319)  ( -3.044,   0.367,   8.338)  ( 0.10,  0.00,  0.23)
181:     oop     ( -0.533,   0.079,   1.372)  ( -0.437,   0.065,   1.131)  ( 5.14,  0.12, 17.58)
181:     vdw     ( 16.992, -23.433,   7.787)  ( 16.992, -23.432,   7.787)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       (125.716, -305.181,  59.352)  (125.829, -305.134,  59.218)  ( 0.09,  0.02,  0.22)
181:     bond    (-30.214, 190.400, -29.022)  (-30.176, 190.432, -29.016)  ( 0.12,  0.02,  0.02)
181:     angle   (111.351, -427.295,  73.315)  (111.360, -427.271,  73.317)  ( 0.01,  0.01,  0.00)
181:     torsion (  6.776,  -0.115, -18.396)  (  6.779,  -0.115, -18.376)  ( 0.05,  0.00,  0.11)
181:     oop     ( -0.289,   0.080,   0.729)  ( -0.226,   0.067,   0.569)  ( 1.83,  0.11, 11.64)
181:     vdw     ( 38.092, -68.250,  32.725)  ( 38.092, -68.247,  32.725)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       (-217.964, -53.713, -70.476)  (-217.943, -53.662, -70.386)  ( 0.01,  0.09,  0.13)
181:     bond    (-129.118, -144.702, -38.830)  (-129.088, -144.673, -38.826)  ( 0.02,  0.02,  0.01)
181:     angle   (-92.939,  94.229, -67.021)  (-92.923,  94.245, -67.016)  ( 0.02,  0.02,  0.01)
181:     torsion ( -0.862,  -0.355,   1.681)  ( -0.860,  -0.355,   1.692)  ( 0.17,  0.01,  0.62)
181:     oop     (  0.159,  -0.034,  -0.406)  (  0.132,  -0.028,  -0.336)  ( 0.43,  0.02,  2.81)
181:     vdw     (  4.796,  -2.851,  34.099)  (  4.796,  -2.851,  34.100)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       (309.239, -201.556, 101.651)  (309.302, -201.516, 101.608)  ( 0.02,  0.02,  0.04)
181:     bond    (248.311, -157.888, 106.012)  (248.345, -157.860, 106.018)  ( 0.01,  0.02,  0.01)
181:     angle   ( 48.554, -35.777,  18.789)  ( 48.560, -35.759,  18.792)  ( 0.01,  0.05,  0.01)
181:     torsion (  9.873,  -2.247, -25.452)  (  9.874,  -2.247, -25.445)  ( 0.01,  0.00,  0.03)
181:     oop     ( -0.142,   0.030,   0.372)  ( -0.120,   0.025,   0.314)  ( 0.31,  0.01,  2.16)
181:     vdw     (  2.642,  -5.673,   1.931)  (  2.643,  -5.673,   1.931)  ( 0.02,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       ( 87.379, -176.189,  45.678)  ( 87.415, -176.122,  45.774)  ( 0.04,  0.04,  0.21)
181:     bond    (-122.952, 125.551, -56.601)  (-122.912, 125.596, -56.593)  ( 0.03,  0.04,  0.01)
181:     angle   (212.046, -303.014, 100.749)  (212.065, -302.998, 100.753)  ( 0.01,  0.01,  0.00)
181:     torsion ( -1.009,  -0.804,   2.730)  ( -1.007,  -0.804,   2.747)  ( 0.24,  0.01,  0.65)
181:     oop     (  0.144,  -0.028,  -0.384)  (  0.119,  -0.023,  -0.317)  ( 0.35,  0.01,  2.55)
182: # Testing molecular formal charges...
182: ok 1
182: 1..1
181/223 Test #182: test_formalcharge_1 ..............   Passed    0.12 sec
test 183
        Start 183: test_format_1

183: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "format" "1"
183: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
183: Environment variables: 
183:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
183:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
183: Test timeout computed to be: 1500
181:     vdw     ( -0.850,   2.107,  -0.816)  ( -0.850,   2.107,  -0.816)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( 28.638,  80.760,   2.152)  ( 28.598,  80.784,   2.334)  ( 0.14,  0.03,  8.48)
181:     bond    (-13.342,   5.622,  -5.580)  (-13.316,   5.627,  -5.576)  ( 0.19,  0.08,  0.08)
181:     angle   ( 29.775,  77.751,   7.356)  ( 29.777,  77.759,   7.356)  ( 0.00,  0.01,  0.01)
181:     torsion (  1.225,  -0.163,  -3.094)  (  1.225,  -0.163,  -3.091)  ( 0.05,  0.00,  0.12)
181:     oop     (  0.284,  -0.046,  -0.725)  (  0.216,  -0.035,  -0.551)  ( 1.94,  0.05, 12.68)
181:     vdw     ( 10.696,  -2.404,   4.196)  ( 10.696,  -2.404,   4.196)  ( 0.00,  0.02,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       (-51.769, 170.421, -28.422)  (-51.718, 170.451, -28.427)  ( 0.10,  0.02,  0.02)
181:     bond    (-57.140,  -0.068, -21.182)  (-57.114,  -0.050, -21.162)  ( 0.05,  0.13,  0.09)
181:     angle   ( -4.494, 146.661, -12.973)  ( -4.484, 146.674, -12.965)  ( 0.24,  0.01,  0.07)
181:     torsion ( -1.064,   4.904,   2.867)  ( -1.063,   4.906,   2.871)  ( 0.05,  0.03,  0.13)
181:     oop     ( -0.060,   0.012,   0.161)  ( -0.046,   0.009,   0.123)  ( 0.08,  0.00,  0.60)
181:     vdw     ( 10.989,  18.912,   2.706)  ( 10.989,  18.913,   2.706)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (-39.625, -46.446,   4.953)  (-39.572, -46.418,   4.932)  ( 0.13,  0.06,  0.43)
181:     bond    ( 24.264,   1.025, -37.484)  ( 24.284,   1.044, -37.464)  ( 0.08,  1.86,  0.05)
181:     angle   (-64.819, -62.366,  28.293)  (-64.808, -62.354,  28.302)  ( 0.02,  0.02,  0.03)
181:     torsion (  1.880,   5.952,   6.218)  (  1.882,   5.952,   6.219)  ( 0.08,  0.01,  0.01)
181:     oop     ( -0.086,   0.018,   0.218)  ( -0.066,   0.014,   0.166)  ( 0.18,  0.01,  1.13)
181:     vdw     ( -0.864,   8.926,   7.708)  ( -0.864,   8.926,   7.708)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       ( 17.161,  37.789, -11.581)  ( 17.192,  37.821, -11.550)  ( 0.18,  0.08,  0.27)
181:     bond    ( -6.574, -42.124,  16.847)  ( -6.556, -42.105,  16.867)  ( 0.28,  0.05,  0.12)
181:     angle   ( 18.684,  57.126, -24.812)  ( 18.694,  57.137, -24.802)  ( 0.05,  0.02,  0.04)
181:     torsion (  8.251,  21.142,   0.462)  (  8.253,  21.143,   0.462)  ( 0.03,  0.01,  0.04)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.200,   1.645,  -4.077)  ( -3.200,   1.645,  -4.077)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       ( -4.601, -28.457, -17.819)  ( -4.572, -28.428, -17.789)  ( 0.61,  0.10,  0.16)
181:     bond    ( -2.307,  38.602,  27.693)  ( -2.289,  38.622,  27.712)  ( 0.80,  0.05,  0.07)
181:     angle   ( -1.034, -67.182, -17.928)  ( -1.026, -67.173, -17.919)  ( 0.78,  0.01,  0.05)
181:     torsion (  2.723,  -0.138,   0.283)  (  2.724,  -0.137,   0.284)  ( 0.06,  0.01,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.981,   0.260, -27.867)  ( -3.981,   0.260, -27.866)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       (  9.373,  -5.263,  -5.246)  (  9.379,  -5.250,  -5.243)  ( 0.06,  0.24,  0.06)
181:     bond    (  6.793, -18.562,   0.914)  (  6.794, -18.550,   0.914)  ( 0.03,  0.07,  0.01)
181:     angle   ( 12.826,   4.169, -10.756)  ( 12.830,   4.169, -10.754)  ( 0.03,  0.01,  0.02)
181:     torsion (  6.776,   2.158,  -6.569)  (  6.777,   2.159,  -6.568)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-17.022,   6.971,  11.165)  (-17.022,   6.971,  11.165)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       (  8.439,   3.595, -13.990)  (  8.444,   3.600, -13.978)  ( 0.06,  0.12,  0.09)
181:     bond    (  4.852,   7.538, -18.762)  (  4.853,   7.540, -18.751)  ( 0.02,  0.03,  0.06)
181:     angle   ( 17.637,  -2.460,   3.577)  ( 17.641,  -2.458,   3.577)  ( 0.02,  0.08,  0.02)
181:     torsion ( -2.872,   1.678,  -0.068)  ( -2.872,   1.678,  -0.068)  ( 0.01,  0.02,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-11.178,  -3.161,   1.263)  (-11.178,  -3.161,   1.263)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       ( 13.034,   2.868,   7.553)  ( 13.047,   2.872,   7.558)  ( 0.11,  0.11,  0.06)
181:     bond    ( 19.930,  -1.163,  -2.917)  ( 19.944,  -1.163,  -2.916)  ( 0.07,  0.01,  0.01)
181:     angle   ( -0.525,   7.456,  -6.566)  ( -0.525,   7.459,  -6.563)  ( 0.00,  0.03,  0.06)
181:     torsion (  0.113,  -3.557,   2.187)  (  0.113,  -3.556,   2.187)  ( 0.00,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -6.484,   0.132,  14.849)  ( -6.484,   0.132,  14.849)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       (  7.808,   6.534,   2.461)  (  7.812,   6.547,   2.466)  ( 0.05,  0.20,  0.20)
181:     bond    ( -5.121,  18.462,  -2.248)  ( -5.120,  18.475,  -2.248)  ( 0.02,  0.07,  0.01)
181:     angle   ( 12.554,   2.071, -11.579)  ( 12.556,   2.071, -11.575)  ( 0.02,  0.01,  0.03)
181:     torsion (  8.704,   1.762,  -5.344)  (  8.705,   1.762,  -5.344)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.328, -15.761,  21.633)  ( -8.328, -15.761,  21.633)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 38       (  4.689,   1.345,  14.511)  (  4.695,   1.349,  14.523)  ( 0.11,  0.32,  0.08)
181:     bond    ( -4.521,  -7.164,  18.317)  ( -4.520,  -7.162,  18.328)  ( 0.02,  0.03,  0.06)
181:     angle   ( -8.158,   5.530,   0.150)  ( -8.155,   5.532,   0.151)  ( 0.04,  0.04,  0.01)
181:     torsion (  2.436,  -2.304,  -0.299)  (  2.436,  -2.304,  -0.299)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 14.933,   5.283,  -3.657)  ( 14.933,   5.283,  -3.657)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 39       ( -0.359,   4.608,   8.965)  ( -0.353,   4.620,   8.968)  ( 0.21,  0.28,  0.03)
181:     bond    ( -6.686,  18.075,  -0.977)  ( -6.685,  18.088,  -0.977)  ( 0.03,  0.07,  0.01)
181:     angle   (-13.717,  -4.486,  10.782)  (-13.713,  -4.486,  10.784)  ( 0.02,  0.01,  0.02)
181:     torsion ( -5.879,  -1.787,   7.143)  ( -5.879,  -1.787,   7.143)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 25.924,  -7.195,  -7.982)  ( 25.924,  -7.195,  -7.982)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 40       (-15.640,  -4.131,   5.459)  (-15.626,  -4.128,   5.464)  ( 0.09,  0.07,  0.09)
181:     bond    (-20.987,   1.060,   3.290)  (-20.973,   1.060,   3.290)  ( 0.06,  0.01,  0.01)
181:     angle   (  1.888,  -7.800,  14.544)  (  1.888,  -7.797,  14.548)  ( 0.01,  0.03,  0.03)
181:     torsion ( -0.238,   1.144,  -1.889)  ( -0.238,   1.144,  -1.888)  ( 0.00,  0.04,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.698,   1.465, -10.486)  (  3.698,   1.466, -10.486)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 41       ( -2.868,  -8.359,   8.203)  ( -2.864,  -8.346,   8.208)  ( 0.14,  0.16,  0.06)
181:     bond    (  5.462, -18.914,   2.362)  (  5.463, -18.901,   2.362)  ( 0.02,  0.07,  0.01)
181:     angle   (-11.884,  -1.457,  15.815)  (-11.882,  -1.457,  15.819)  ( 0.02,  0.01,  0.02)
181:     torsion ( -6.481,  -1.186,   5.499)  ( -6.480,  -1.186,   5.499)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.035,  13.198, -15.473)  ( 10.035,  13.198, -15.472)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 42       (  2.797,   3.776,   4.300)  (  2.801,   3.789,   4.303)  ( 0.13,  0.35,  0.08)
181:     bond    ( -3.557,  12.409,  -0.546)  ( -3.556,  12.422,  -0.546)  ( 0.03,  0.10,  0.00)
181:     angle   ( 17.083,   5.825,  21.266)  ( 17.086,   5.825,  21.269)  ( 0.01,  0.00,  0.01)
181:     torsion ( -0.038,  -0.009,   0.033)  ( -0.038,  -0.009,   0.033)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.691, -14.448, -16.454)  (-10.691, -14.448, -16.453)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 43       (  8.026,   3.053,   2.790)  (  8.040,   3.056,   2.793)  ( 0.17,  0.09,  0.13)
181:     bond    ( 12.762,  -0.692,  -1.574)  ( 12.775,  -0.692,  -1.574)  ( 0.11,  0.01,  0.02)
181:     angle   (  2.727,   6.099,  19.454)  (  2.727,   6.101,  19.457)  ( 0.00,  0.04,  0.01)
181:     torsion (  0.016,  -0.402,   0.307)  (  0.016,  -0.402,   0.307)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -7.478,  -1.951, -15.397)  ( -7.478,  -1.951, -15.397)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 44       (  1.200,   1.204,   8.941)  (  1.203,   1.208,   8.953)  ( 0.28,  0.36,  0.14)
181:     bond    ( -2.604,  -4.517,  11.804)  ( -2.604,  -4.515,  11.816)  ( 0.02,  0.04,  0.10)
181:     angle   ( 16.627,   9.458,   7.279)  ( 16.629,   9.461,   7.279)  ( 0.01,  0.03,  0.01)
181:     torsion (  0.483,  -0.369,  -0.034)  (  0.483,  -0.369,  -0.034)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-13.306,  -3.369, -10.108)  (-13.306,  -3.369, -10.108)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 45       ( 38.713,  44.328,   7.887)  ( 38.722,  44.347,   7.854)  ( 0.02,  0.04,  0.42)
181:     bond    ( 43.946,  43.820,   9.845)  ( 43.953,  43.828,   9.845)  ( 0.02,  0.02,  0.01)
181:     angle   ( -4.853,   4.607,   1.140)  ( -4.851,   4.609,   1.140)  ( 0.04,  0.04,  0.01)
181:     torsion ( -0.054,   0.616,  -2.505)  ( -0.054,   0.616,  -2.500)  ( 0.00,  0.02,  0.19)
181:     oop     (  0.003,  -0.054,   0.231)  (  0.002,  -0.045,   0.193)  ( 0.00,  0.05,  0.89)
181:     vdw     ( -0.328,  -4.660,  -0.824)  ( -0.328,  -4.660,  -0.824)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 46       (-18.395,  57.830,  23.586)  (-18.389,  57.857,  23.541)  ( 0.03,  0.05,  0.19)
181:     bond    (-10.669,  53.306,  13.917)  (-10.668,  53.320,  13.918)  ( 0.01,  0.03,  0.01)
181:     angle   ( 40.079,   7.653,   1.404)  ( 40.082,   7.653,   1.404)  ( 0.01,  0.00,  0.00)
181:     torsion (  0.080,  -2.491,   9.598)  (  0.080,  -2.490,   9.602)  ( 0.00,  0.01,  0.05)
181:     oop     (  0.007,  -0.087,   0.339)  (  0.006,  -0.074,   0.289)  ( 0.00,  0.11,  1.71)
181:     vdw     (-47.891,  -0.551,  -1.672)  (-47.889,  -0.551,  -1.672)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 47       ( 12.896, -47.842, -29.476)  ( 12.902, -47.867, -29.330)  ( 0.05,  0.05,  0.50)
181:     bond    ( 16.083, -55.844, -15.523)  ( 16.084, -55.831, -15.522)  ( 0.01,  0.02,  0.01)
181:     angle   ( 16.899,   4.635,   0.843)  ( 16.903,   4.635,   0.843)  ( 0.02,  0.01,  0.00)
181:     torsion ( -0.281,   4.759, -17.416)  ( -0.281,   4.760, -17.411)  ( 0.00,  0.01,  0.03)
181:     oop     ( -0.003,   0.252,  -0.909)  ( -0.003,   0.213,  -0.768)  ( 0.00,  0.98, 12.78)
181:     vdw     (-19.802,  -1.643,   3.528)  (-19.801,  -1.643,   3.528)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 48       (-13.369, -21.958,  16.625)  (-13.356, -21.953,  16.629)  ( 0.10,  0.02,  0.02)
181:     bond    (-18.943,  -0.495,   4.460)  (-18.930,  -0.495,   4.461)  ( 0.07,  0.00,  0.02)
181:     angle   (  2.111, -25.347,   6.142)  (  2.111, -25.343,   6.145)  ( 0.01,  0.02,  0.04)
181:     torsion (  2.357,   0.951,  10.106)  (  2.357,   0.952,  10.106)  ( 0.00,  0.04,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.107,   2.933,  -4.084)  (  1.107,   2.933,  -4.084)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 49       (  5.762, -15.925,   9.043)  (  5.768, -15.919,   9.052)  ( 0.11,  0.04,  0.10)
181:     bond    (  1.912,   1.900,   3.242)  (  1.915,   1.902,   3.250)  ( 0.15,  0.15,  0.25)
181:     angle   (-32.893,  -8.313,  24.245)  (-32.891,  -8.310,  24.246)  ( 0.01,  0.04,  0.00)
181:     torsion (  0.587,   3.391,  -2.331)  (  0.588,   3.391,  -2.331)  ( 0.03,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 36.156, -12.903, -16.113)  ( 36.157, -12.903, -16.113)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 50       ( -1.794,  13.571, -14.957)  ( -1.790,  13.584, -14.954)  ( 0.22,  0.09,  0.02)
181:     bond    ( -5.047,  12.898,   0.979)  ( -5.045,  12.910,   0.979)  ( 0.04,  0.09,  0.01)
181:     angle   (  6.345,   3.861, -18.227)  (  6.346,   3.862, -18.224)  ( 0.03,  0.01,  0.01)
181:     torsion ( -2.173,  -0.796,  -0.702)  ( -2.172,  -0.796,  -0.702)  ( 0.02,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.919,  -2.393,   2.993)  ( -0.919,  -2.392,   2.993)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 51       (  5.006,  11.117, -16.029)  (  5.019,  11.120, -16.025)  ( 0.26,  0.02,  0.02)
181:     bond    (  7.392,   0.592,  -2.237)  (  7.405,   0.592,  -2.236)  ( 0.17,  0.01,  0.05)
181:     angle   (-10.078,  18.633, -28.438)  (-10.078,  18.635, -28.435)  ( 0.00,  0.01,  0.01)
181:     torsion (  0.198,   2.152,   1.225)  (  0.198,   2.152,   1.225)  ( 0.00,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.494, -10.259,  13.421)  (  7.494, -10.259,  13.422)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 52       (  0.874,   5.631, -19.225)  (  0.880,   5.637, -19.217)  ( 0.47,  0.09,  0.05)
181:     bond    ( -6.958,  -6.497, -10.205)  ( -6.955,  -6.494, -10.198)  ( 0.05,  0.05,  0.07)
181:     angle   (  6.830,  14.880, -14.137)  (  6.831,  14.882, -14.136)  ( 0.02,  0.01,  0.01)
181:     torsion (  0.986,  -0.661,  -0.252)  (  0.986,  -0.661,  -0.252)  ( 0.04,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.017,  -2.090,   5.369)  (  0.017,  -2.090,   5.369)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 53       (162.332, -31.360, 165.767)  (162.312, -31.329, 165.841)  ( 0.01,  0.10,  0.04)
181:     bond    ( 20.228, -169.925,  23.926)  ( 20.227, -169.904,  23.926)  ( 0.00,  0.01,  0.00)
181:     angle   ( 33.422,   5.569,  11.284)  ( 33.427,   5.569,  11.285)  ( 0.01,  0.00,  0.01)
181:     torsion ( 11.888,  -2.850, -30.292)  ( 11.888,  -2.850, -30.287)  ( 0.01,  0.00,  0.01)
181:     oop     (  0.236,  -0.056,  -0.599)  (  0.210,  -0.050,  -0.533)  ( 0.62,  0.03,  3.94)
181:     vdw     ( 96.558, 135.903, 161.448)  ( 96.559, 135.906, 161.451)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 54       (  6.868, -11.480,   4.680)  (  6.872, -11.467,   4.683)  ( 0.07,  0.11,  0.06)
181:     bond    ( -3.346,  -9.614,  -0.475)  ( -3.344,  -9.602,  -0.475)  ( 0.05,  0.13,  0.00)
181:     angle   (  4.186,  -1.551,   1.860)  (  4.189,  -1.551,   1.862)  ( 0.07,  0.02,  0.12)
181:     torsion ( -0.343,   0.074,   0.922)  ( -0.343,   0.074,   0.923)  ( 0.00,  0.00,  0.05)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  6.371,  -0.389,   2.373)  (  6.371,  -0.389,   2.373)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 55       (  3.014,   2.398,  11.667)  (  3.022,   2.404,  11.675)  ( 0.24,  0.24,  0.06)
181:     bond    ( -6.207,   5.487,   6.557)  ( -6.202,   5.491,   6.563)  ( 0.08,  0.07,  0.08)
181:     angle   (  0.093,  -6.009,   5.115)  (  0.096,  -6.008,   5.117)  ( 0.02,  0.02,  0.03)
181:     torsion ( -0.228,  -0.987,   0.610)  ( -0.228,  -0.987,   0.610)  ( 0.00,  0.05,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  9.356,   3.907,  -0.615)  (  9.356,   3.907,  -0.615)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 56       ( 10.342,  -0.931,  -8.154)  ( 10.346,  -0.927,  -8.142)  ( 0.04,  0.42,  0.15)
181:     bond    ( -0.146,   4.226,  -9.796)  ( -0.146,   4.229,  -9.784)  ( 0.00,  0.05,  0.12)
181:     angle   (  3.610,  -6.420,  -2.828)  (  3.614,  -6.418,  -2.828)  ( 0.10,  0.03,  0.01)
181:     torsion (  0.452,  -2.813,  -1.222)  (  0.452,  -2.812,  -1.222)  ( 0.00,  0.02,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  6.425,   4.075,   5.692)  (  6.425,   4.075,   5.692)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 57       ( -6.624, -14.288,  -2.175)  ( -6.621, -14.278,  -2.169)  ( 0.05,  0.07,  0.31)
181:     bond    (  0.989, -14.292,  -9.940)  (  0.989, -14.283,  -9.936)  ( 0.01,  0.07,  0.05)
181:     angle   (  8.783,   7.248,  -9.549)  (  8.785,   7.249,  -9.547)  ( 0.03,  0.01,  0.02)
181:     torsion ( -9.476,  -9.922,  13.320)  ( -9.476,  -9.922,  13.320)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -6.919,   2.677,   3.994)  ( -6.919,   2.677,   3.994)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 58       (  8.994,  -1.935, -21.348)  (  9.005,  -1.929, -21.345)  ( 0.13,  0.30,  0.01)
181:     bond    ( 12.966,   7.217,  -1.458)  ( 12.977,   7.220,  -1.458)  ( 0.08,  0.05,  0.01)
181:     angle   (  2.755,  -7.423, -12.226)  (  2.756,  -7.421, -12.223)  ( 0.02,  0.03,  0.02)
181:     torsion (  2.153,  -6.788, -14.449)  (  2.153,  -6.787, -14.450)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.881,   5.059,   6.785)  ( -8.881,   5.059,   6.785)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 59       ( -8.671, -11.979,  -0.173)  ( -8.660, -11.973,  -0.169)  ( 0.13,  0.05,  0.06)
181:     bond    (-16.832, -10.136,   1.712)  (-16.822, -10.133,   1.713)  ( 0.06,  0.04,  0.01)
181:     angle   (  6.492,  -9.808,   5.760)  (  6.493,  -9.806,   5.763)  ( 0.01,  0.02,  0.05)
181:     torsion ( -0.020,  -0.277,  -1.833)  ( -0.020,  -0.276,  -1.833)  ( 0.00,  0.02,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.689,   8.241,  -5.813)  (  1.689,   8.241,  -5.813)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 60       (  0.581, -21.765,  10.171)  (  0.590, -21.757,  10.175)  ( 0.53,  0.03,  0.04)
181:     bond    ( 15.609, -12.895,   6.060)  ( 15.617, -12.890,   6.061)  ( 0.05,  0.04,  0.02)
181:     angle   ( -5.964,  -6.114,   2.360)  ( -5.963,  -6.113,   2.363)  ( 0.02,  0.02,  0.12)
181:     torsion ( -8.008,  -7.854,   3.930)  ( -8.008,  -7.853,   3.930)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.057,   5.099,  -2.180)  ( -1.057,   5.099,  -2.179)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 61       (  2.912,  13.405,  16.850)  (  2.914,  13.409,  16.863)  ( 0.09,  0.03,  0.08)
181:     bond    ( -1.242,  -3.976,  13.089)  ( -1.242,  -3.975,  13.101)  ( 0.01,  0.03,  0.10)
181:     angle   ( -1.996,  20.852,   6.138)  ( -1.994,  20.855,   6.138)  ( 0.09,  0.01,  0.00)
181:     torsion (  5.685,  -0.198,   0.479)  (  5.686,  -0.198,   0.479)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.465,  -3.273,  -2.855)  (  0.465,  -3.273,  -2.855)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 62       (  0.638,  16.986,   4.348)  (  0.648,  16.991,   4.350)  ( 0.67,  0.04,  0.06)
181:     bond    ( 10.808,   6.980,  -0.988)  ( 10.817,   6.984,  -0.988)  ( 0.09,  0.06,  0.01)
181:     angle   ( -6.882,  12.809,  15.223)  ( -6.881,  12.811,  15.225)  ( 0.01,  0.01,  0.01)
181:     torsion ( -2.284,   2.981,  -3.935)  ( -2.284,   2.981,  -3.935)  ( 0.01,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.004,  -5.785,  -5.952)  ( -1.004,  -5.784,  -5.952)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 63       ( -5.490,  12.050,   9.477)  ( -5.480,  12.057,   9.480)  ( 0.17,  0.06,  0.04)
181:     bond    ( -8.767,   6.776,  -2.293)  ( -8.759,   6.781,  -2.292)  ( 0.10,  0.07,  0.03)
181:     angle   (  5.404,  14.181,  21.304)  (  5.405,  14.183,  21.306)  ( 0.02,  0.01,  0.01)
181:     torsion ( -3.779,  -3.434,   4.280)  ( -3.778,  -3.434,   4.281)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.652,  -5.474, -13.815)  (  1.652,  -5.474, -13.814)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 36 # gradients 
181: 1..36
182/223 Test #181: test_ffuff_1 .....................   Passed    0.86 sec
test 184
        Start 184: test_formula_1

184: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "formula" "1"
184: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
184: Environment variables: 
184:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
184:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
184: Test timeout computed to be: 1500
184: # Testing molecular formulas...
183: # Unit tests for OBFormat 
183: 1..4
183: ok 1
183: ok 2
183: ok 3
183: ok 4
183/223 Test #183: test_format_1 ....................   Passed    0.05 sec
test 185
        Start 185: test_internalcoord_1

185: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "internalcoord" "1"
185: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
185: Environment variables: 
185:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
185:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
185: Test timeout computed to be: 1500
185: # Unit tests for z-matrix conversion 
185: 1..2
185: ok 1
185: ok 2
184/223 Test #185: test_internalcoord_1 .............   Passed    0.01 sec
test 186
        Start 186: test_invalidsmarts_1

186: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "invalidsmarts" "1"
186: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
186: Environment variables: 
186:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
186:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
186: Test timeout computed to be: 1500
186: # Testing invalid SMARTS parsing...
186: ok 1
186: ok 2
186: ok 3
186: ok 4
186: ok 5
186: ok 6
186: ok 7
186: ok 8
186: ok 9
186: ok 10
186: ok 11
186: ok 12
186: ok 13
186: ok 14
186: ok 15
186: ok 16
186: ok 17
186: ok 18
186: ok 19
186: ok 20 # random data #1 
186: # read 104188
186: ok 21 # random data #2 
186: # read 77768
186: ok 22 # random data #3 
186: # read 100058
186: 1..22
185/223 Test #186: test_invalidsmarts_1 .............   Passed    0.01 sec
test 187
        Start 187: test_invalidsmiles_1

187: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "invalidsmiles" "1"
187: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
187: Environment variables: 
187:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
187:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
187: Test timeout computed to be: 1500
187: Usage: invalid-smiles
187:    Tests Open Babel SMILES parsing - rejecting invalid patterns.
186/223 Test #187: test_invalidsmiles_1 .............   Passed    0.01 sec
test 188
        Start 188: test_iterators_1

188: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "iterators" "1"
188: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
188: Environment variables: 
188:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
188:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
188: Test timeout computed to be: 1500
184: ok 1 # molecular formula
184: ok 2 # molecular weight
184: ok 3 # molecular exact mass
184: ok 4 # molecular hydrogen-added formula
184: ok 5 # molecule + hydrogens weight
184: ok 6 # molecular exact mass after hydrogen addition
184: ok 7 # molecular formula
184: ok 8 # molecular weight
184: ok 9 # molecular exact mass
184: ok 10 # molecular hydrogen-added formula
184: ok 11 # molecule + hydrogens weight
184: ok 12 # molecular exact mass after hydrogen addition
184: ok 13 # molecular formula
184: ok 14 # molecular weight
184: ok 15 # molecular exact mass
184: ok 16 # molecular hydrogen-added formula
184: ok 17 # molecule + hydrogens weight
184: ok 18 # molecular exact mass after hydrogen addition
184: ok 19 # molecular formula
184: ok 20 # molecular weight
184: ok 21 # molecular exact mass
184: ok 22 # molecular hydrogen-added formula
184: ok 23 # molecule + hydrogens weight
184: ok 24 # molecular exact mass after hydrogen addition
184: ok 25 # molecular formula
184: ok 26 # molecular weight
184: ok 27 # molecular exact mass
184: ok 28 # molecular hydrogen-added formula
184: ok 29 # molecule + hydrogens weight
184: ok 30 # molecular exact mass after hydrogen addition
184: ok 31 # molecular formula
184: ok 32 # molecular weight
184: ok 33 # molecular exact mass
184: ok 34 # molecular hydrogen-added formula
184: ok 35 # molecule + hydrogens weight
184: ok 36 # molecular exact mass after hydrogen addition
184: ok 37 # molecular formula
184: ok 38 # molecular weight
184: ok 39 # molecular exact mass
184: ok 40 # molecular hydrogen-added formula
184: ok 41 # molecule + hydrogens weight
184: ok 42 # molecular exact mass after hydrogen addition
184: ok 43 # molecular formula
184: ok 44 # molecular weight
184: ok 45 # molecular exact mass
184: ok 46 # molecular hydrogen-added formula
184: ok 47 # molecule + hydrogens weight
184: ok 48 # molecular exact mass after hydrogen addition
184: ok 49 # molecular formula
184: ok 50 # molecular weight
184: ok 51 # molecular exact mass
184: ok 52 # molecular hydrogen-added formula
184: ok 53 # molecule + hydrogens weight
184: ok 54 # molecular exact mass after hydrogen addition
184: ok 55 # molecular formula
184: ok 56 # molecular weight
184: ok 57 # molecular exact mass
184: ok 58 # molecular hydrogen-added formula
184: ok 59 # molecule + hydrogens weight
184: ok 60 # molecular exact mass after hydrogen addition
184: ok 61 # molecular formula
184: ok 62 # molecular weight
184: ok 63 # molecular exact mass
184: ok 64 # molecular hydrogen-added formula
184: ok 65 # molecule + hydrogens weight
184: ok 66 # molecular exact mass after hydrogen addition
184: ok 67 # molecular formula
184: ok 68 # molecular weight
184: ok 69 # molecular exact mass
184: ok 70 # molecular hydrogen-added formula
184: ok 71 # molecule + hydrogens weight
184: ok 72 # molecular exact mass after hydrogen addition
184: ok 73 # molecular formula
184: ok 74 # molecular weight
184: ok 75 # molecular exact mass
184: ok 76 # molecular hydrogen-added formula
184: ok 77 # molecule + hydrogens weight
184: ok 78 # molecular exact mass after hydrogen addition
184: ok 79 # molecular formula
184: ok 80 # molecular weight
184: ok 81 # molecular exact mass
184: ok 82 # molecular hydrogen-added formula
184: ok 83 # molecule + hydrogens weight
184: ok 84 # molecular exact mass after hydrogen addition
184: ok 85 # molecular formula
184: ok 86 # molecular weight
184: ok 87 # molecular exact mass
184: ok 88 # molecular hydrogen-added formula
184: ok 89 # molecule + hydrogens weight
184: ok 90 # molecular exact mass after hydrogen addition
184: ok 91 # molecular formula
184: ok 92 # molecular weight
184: ok 93 # molecular exact mass
184: ok 94 # molecular hydrogen-added formula
184: ok 95 # molecule + hydrogens weight
184: ok 96 # molecular exact mass after hydrogen addition
184: ok 97 # molecular formula
184: ok 98 # molecular weight
184: ok 99 # molecular exact mass
184: ok 100 # molecular hydrogen-added formula
184: ok 101 # molecule + hydrogens weight
184: ok 102 # molecular exact mass after hydrogen addition
184: ok 103 # molecular formula
184: ok 104 # molecular weight
184: ok 105 # molecular exact mass
184: ok 106 # molecular hydrogen-added formula
184: ok 107 # molecule + hydrogens weight
184: ok 108 # molecular exact mass after hydrogen addition
184: ok 109 # molecular formula
184: ok 110 # molecular weight
184: ok 111 # molecular exact mass
184: ok 112 # molecular hydrogen-added formula
184: ok 113 # molecule + hydrogens weight
184: ok 114 # molecular exact mass after hydrogen addition
184: ok 115 # molecular formula
184: ok 116 # molecular weight
184: ok 117 # molecular exact mass
184: ok 118 # molecular hydrogen-added formula
184: ok 119 # molecule + hydrogens weight
184: ok 120 # molecular exact mass after hydrogen addition
184: ok 121 # molecular formula
184: ok 122 # molecular weight
184: ok 123 # molecular exact mass
184: ok 124 # molecular hydrogen-added formula
184: ok 125 # molecule + hydrogens weight
184: ok 126 # molecular exact mass after hydrogen addition
184: ok 127 # molecular formula
184: ok 128 # molecular weight
184: ok 129 # molecular exact mass
184: ok 130 # molecular hydrogen-added formula
184: ok 131 # molecule + hydrogens weight
184: ok 132 # molecular exact mass after hydrogen addition
184: ok 133 # molecular formula
184: ok 134 # molecular weight
184: ok 135 # molecular exact mass
184: ok 136 # molecular hydrogen-added formula
184: ok 137 # molecule + hydrogens weight
184: ok 138 # molecular exact mass after hydrogen addition
184: ok 139 # molecular formula
184: ok 140 # molecular weight
184: ok 141 # molecular exact mass
184: ok 142 # molecular hydrogen-added formula
184: ok 143 # molecule + hydrogens weight
184: ok 144 # molecular exact mass after hydrogen addition
184: ok 145 # molecular formula
184: ok 146 # molecular weight
184: ok 147 # molecular exact mass
184: ok 148 # molecular hydrogen-added formula
184: ok 149 # molecule + hydrogens weight
184: ok 150 # molecular exact mass after hydrogen addition
184: ok 151 # molecular formula
184: ok 152 # molecular weight
184: ok 153 # molecular exact mass
184: ok 154 # molecular hydrogen-added formula
184: ok 155 # molecule + hydrogens weight
184: ok 156 # molecular exact mass after hydrogen addition
184: ok 157 # molecular formula
184: ok 158 # molecular weight
184: ok 159 # molecular exact mass
184: ok 160 # molecular hydrogen-added formula
184: ok 161 # molecule + hydrogens weight
184: ok 162 # molecular exact mass after hydrogen addition
184: ok 163 # molecular formula
184: ok 164 # molecular weight
184: ok 165 # molecular exact mass
184: ok 166 # molecular hydrogen-added formula
184: ok 167 # molecule + hydrogens weight
184: ok 168 # molecular exact mass after hydrogen addition
184: ok 169 # molecular formula
184: ok 170 # molecular weight
184: ok 171 # molecular exact mass
184: ok 172 # molecular hydrogen-added formula
184: ok 173 # molecule + hydrogens weight
184: ok 174 # molecular exact mass after hydrogen addition
184: ok 175 # molecular formula
184: ok 176 # molecular weight
184: ok 177 # molecular exact mass
184: ok 178 # molecular hydrogen-added formula
184: ok 179 # molecule + hydrogens weight
184: ok 180 # molecular exact mass after hydrogen addition
184: ok 181 # molecular formula
184: ok 182 # molecular weight
184: ok 183 # molecular exact mass
184: ok 184 # molecular hydrogen-added formula
184: ok 185 # molecule + hydrogens weight
184: ok 186 # molecular exact mass after hydrogen addition
184: ok 187 # molecular formula
184: ok 188 # molecular weight
184: ok 189 # molecular exact mass
184: ok 190 # molecular hydrogen-added formula
184: ok 191 # molecule + hydrogens weight
184: ok 192 # molecular exact mass after hydrogen addition
184: ok 193 # molecular formula
184: ok 194 # molecular weight
184: ok 195 # molecular exact mass
184: ok 196 # molecular hydrogen-added formula
184: ok 197 # molecule + hydrogens weight
184: ok 198 # molecular exact mass after hydrogen addition
184: ok 199 # molecular formula
184: ok 200 # molecular weight
184: ok 201 # molecular exact mass
184: ok 202 # molecular hydrogen-added formula
184: ok 203 # molecule + hydrogens weight
184: ok 204 # molecular exact mass after hydrogen addition
184: ok 205 # molecular formula
184: ok 206 # molecular weight
184: ok 207 # molecular exact mass
184: ok 208 # molecular hydrogen-added formula
184: ok 209 # molecule + hydrogens weight
184: ok 210 # molecular exact mass after hydrogen addition
184: ok 211 # molecular formula
184: ok 212 # molecular weight
184: ok 213 # molecular exact mass
184: ok 214 # molecular hydrogen-added formula
184: ok 215 # molecule + hydrogens weight
184: ok 216 # molecular exact mass after hydrogen addition
184: ok 217 # molecular formula
184: ok 218 # molecular weight
184: ok 219 # molecular exact mass
184: ok 220 # molecular hydrogen-added formula
184: ok 221 # molecule + hydrogens weight
184: ok 222 # molecular exact mass after hydrogen addition
184: ok 223 # molecular formula
184: ok 224 # molecular weight
184: ok 225 # molecular exact mass
184: ok 226 # molecular hydrogen-added formula
184: ok 227 # molecule + hydrogens weight
184: ok 228 # molecular exact mass after hydrogen addition
184: ok 229 # molecular formula
184: ok 230 # molecular weight
184: ok 231 # molecular exact mass
184: ok 232 # molecular hydrogen-added formula
184: ok 233 # molecule + hydrogens weight
184: ok 234 # molecular exact mass after hydrogen addition
184: ok 235 # molecular formula
184: ok 236 # molecular weight
184: ok 237 # molecular exact mass
184: ok 238 # molecular hydrogen-added formula
184: ok 239 # molecule + hydrogens weight
184: ok 240 # molecular exact mass after hydrogen addition
184: ok 241 # molecular formula
184: ok 242 # molecular weight
184: ok 243 # molecular exact mass
184: ok 244 # molecular hydrogen-added formula
184: ok 245 # molecule + hydrogens weight
184: ok 246 # molecular exact mass after hydrogen addition
184: ok 247 # molecular formula
184: ok 248 # molecular weight
184: ok 249 # molecular exact mass
184: ok 250 # molecular hydrogen-added formula
184: ok 251 # molecule + hydrogens weight
184: ok 252 # molecular exact mass after hydrogen addition
184: ok 253 # molecular formula
184: ok 254 # molecular weight
184: ok 255 # molecular exact mass
184: ok 256 # molecular hydrogen-added formula
184: ok 257 # molecule + hydrogens weight
184: ok 258 # molecular exact mass after hydrogen addition
184: ok 259 # molecular formula
184: ok 260 # molecular weight
184: ok 261 # molecular exact mass
184: ok 262 # molecular hydrogen-added formula
184: ok 263 # molecule + hydrogens weight
184: ok 264 # molecular exact mass after hydrogen addition
184: ok 265 # molecular formula
184: ok 266 # molecular weight
184: ok 267 # molecular exact mass
184: ok 268 # molecular hydrogen-added formula
184: ok 269 # molecule + hydrogens weight
184: ok 270 # molecular exact mass after hydrogen addition
184: ok 271 # molecular formula
184: ok 272 # molecular weight
184: ok 273 # molecular exact mass
184: ok 274 # molecular hydrogen-added formula
184: ok 275 # molecule + hydrogens weight
184: ok 276 # molecular exact mass after hydrogen addition
184: ok 277 # molecular formula
184: ok 278 # molecular weight
184: ok 279 # molecular exact mass
184: ok 280 # molecular hydrogen-added formula
184: ok 281 # molecule + hydrogens weight
184: ok 282 # molecular exact mass after hydrogen addition
184: ok 283 # molecular formula
184: ok 284 # molecular weight
184: ok 285 # molecular exact mass
184: ok 286 # molecular hydrogen-added formula
184: ok 287 # molecule + hydrogens weight
184: ok 288 # molecular exact mass after hydrogen addition
184: ok 289 # molecular formula
184: ok 290 # molecular weight
184: ok 291 # molecular exact mass
184: ok 292 # molecular hydrogen-added formula
184: ok 293 # molecule + hydrogens weight
184: ok 294 # molecular exact mass after hydrogen addition
184: ok 295 # molecular formula
184: ok 296 # molecular weight
184: ok 297 # molecular exact mass
184: ok 298 # molecular hydrogen-added formula
184: ok 299 # molecule + hydrogens weight
184: ok 300 # molecular exact mass after hydrogen addition
184: ok 301 # molecular formula
184: ok 302 # molecular weight
184: ok 303 # molecular exact mass
184: ok 304 # molecular hydrogen-added formula
184: ok 305 # molecule + hydrogens weight
184: ok 306 # molecular exact mass after hydrogen addition
184: ok 307 # molecular formula
184: ok 308 # molecular weight
184: ok 309 # molecular exact mass
184: ok 310 # molecular hydrogen-added formula
184: ok 311 # molecule + hydrogens weight
184: ok 312 # molecular exact mass after hydrogen addition
184: ok 313 # molecular formula
184: ok 314 # molecular weight
184: ok 315 # molecular exact mass
184: ok 316 # molecular hydrogen-added formula
184: ok 317 # molecule + hydrogens weight
184: ok 318 # molecular exact mass after hydrogen addition
184: ok 319 # molecular formula
184: ok 320 # molecular weight
184: ok 321 # molecular exact mass
184: ok 322 # molecular hydrogen-added formula
184: ok 323 # molecule + hydrogens weight
184: ok 324 # molecular exact mass after hydrogen addition
184: ok 325 # molecular formula
184: ok 326 # molecular weight
184: ok 327 # molecular exact mass
184: ok 328 # molecular hydrogen-added formula
184: ok 329 # molecule + hydrogens weight
184: ok 330 # molecular exact mass after hydrogen addition
184: ok 331 # molecular formula
184: ok 332 # molecular weight
184: ok 333 # molecular exact mass
184: ok 334 # molecular hydrogen-added formula
184: ok 335 # molecule + hydrogens weight
184: ok 336 # molecular exact mass after hydrogen addition
184: ok 337 # molecular formula
184: ok 338 # molecular weight
184: ok 339 # molecular exact mass
184: ok 340 # molecular hydrogen-added formula
184: ok 341 # molecule + hydrogens weight
184: ok 342 # molecular exact mass after hydrogen addition
184: ok 343 # molecular formula
184: ok 344 # molecular weight
184: ok 345 # molecular exact mass
184: ok 346 # molecular hydrogen-added formula
184: ok 347 # molecule + hydrogens weight
184: ok 348 # molecular exact mass after hydrogen addition
184: ok 349 # molecular formula
184: ok 350 # molecular weight
184: ok 351 # molecular exact mass
184: ok 352 # molecular hydrogen-added formula
184: ok 353 # molecule + hydrogens weight
184: ok 354 # molecular exact mass after hydrogen addition
184: ok 355 # molecular formula
184: ok 356 # molecular weight
184: ok 357 # molecular exact mass
184: ok 358 # molecular hydrogen-added formula
184: ok 359 # molecule + hydrogens weight
184: ok 360 # molecular exact mass after hydrogen addition
184: ok 361 # molecular formula
184: ok 362 # molecular weight
184: ok 363 # molecular exact mass
184: ok 364 # molecular hydrogen-added formula
184: ok 365 # molecule + hydrogens weight
184: ok 366 # molecular exact mass after hydrogen addition
184: ok 367 # molecular formula
184: ok 368 # molecular weight
184: ok 369 # molecular exact mass
184: ok 370 # molecular hydrogen-added formula
184: ok 371 # molecule + hydrogens weight
184: ok 372 # molecular exact mass after hydrogen addition
184: ok 373 # molecular formula
184: ok 374 # molecular weight
184: ok 375 # molecular exact mass
184: ok 376 # molecular hydrogen-added formula
184: ok 377 # molecule + hydrogens weight
184: ok 378 # molecular exact mass after hydrogen addition
184: ok 379 # molecular formula
184: ok 380 # molecular weight
184: ok 381 # molecular exact mass
184: ok 382 # molecular hydrogen-added formula
184: ok 383 # molecule + hydrogens weight
184: ok 384 # molecular exact mass after hydrogen addition
184: ok 385 # molecular formula
184: ok 386 # molecular weight
184: ok 387 # molecular exact mass
184: ok 388 # molecular hydrogen-added formula
184: ok 389 # molecule + hydrogens weight
184: ok 390 # molecular exact mass after hydrogen addition
184: ok 391 # molecular formula
184: ok 392 # molecular weight
184: ok 393 # molecular exact mass
184: ok 394 # molecular hydrogen-added formula
184: ok 395 # molecule + hydrogens weight
184: ok 396 # molecular exact mass after hydrogen addition
184: ok 397 # molecular formula
184: ok 398 # molecular weight
184: ok 399 # molecular exact mass
184: ok 400 # molecular hydrogen-added formula
184: ok 401 # molecule + hydrogens weight
184: ok 402 # molecular exact mass after hydrogen addition
184: ok 403 # molecular formula
184: ok 404 # molecular weight
184: ok 405 # molecular exact mass
184: ok 406 # molecular hydrogen-added formula
184: ok 407 # molecule + hydrogens weight
184: ok 408 # molecular exact mass after hydrogen addition
184: ok 409 # molecular formula
184: ok 410 # molecular weight
184: ok 411 # molecular exact mass
184: ok 412 # molecular hydrogen-added formula
184: ok 413 # molecule + hydrogens weight
184: ok 414 # molecular exact mass after hydrogen addition
184: ok 415 # molecular formula
184: ok 416 # molecular weight
184: ok 417 # molecular exact mass
184: ok 418 # molecular hydrogen-added formula
184: ok 419 # molecule + hydrogens weight
184: ok 420 # molecular exact mass after hydrogen addition
184: ok 421 # molecular formula
184: ok 422 # molecular weight
184: ok 423 # molecular exact mass
184: ok 424 # molecular hydrogen-added formula
184: ok 425 # molecule + hydrogens weight
184: ok 426 # molecular exact mass after hydrogen addition
184: ok 427 # molecular formula
184: ok 428 # molecular weight
184: ok 429 # molecular exact mass
184: ok 430 # molecular hydrogen-added formula
184: ok 431 # molecule + hydrogens weight
184: ok 432 # molecular exact mass after hydrogen addition
184: ok 433 # molecular formula
184: ok 434 # molecular weight
184: ok 435 # molecular exact mass
184: ok 436 # molecular hydrogen-added formula
184: ok 437 # molecule + hydrogens weight
184: ok 438 # molecular exact mass after hydrogen addition
184: ok 439 # molecular formula
184: ok 440 # molecular weight
184: ok 441 # molecular exact mass
184: ok 442 # molecular hydrogen-added formula
184: ok 443 # molecule + hydrogens weight
184: ok 444 # molecular exact mass after hydrogen addition
184: ok 445 # molecular formula
184: ok 446 # molecular weight
184: ok 447 # molecular exact mass
184: ok 448 # molecular hydrogen-added formula
184: ok 449 # molecule + hydrogens weight
184: ok 450 # molecular exact mass after hydrogen addition
184: ok 451 # molecular formula
184: ok 452 # molecular weight
184: ok 453 # molecular exact mass
184: ok 454 # molecular hydrogen-added formula
184: ok 455 # molecule + hydrogens weight
184: ok 456 # molecular exact mass after hydrogen addition
184: ok 457 # molecular formula
184: ok 458 # molecular weight
184: ok 459 # molecular exact mass
184: ok 460 # molecular hydrogen-added formula
184: ok 461 # molecule + hydrogens weight
184: ok 462 # molecular exact mass after hydrogen addition
184: ok 463 # molecular formula
184: ok 464 # molecular weight
184: ok 465 # molecular exact mass
184: ok 466 # molecular hydrogen-added formula
184: ok 467 # molecule + hydrogens weight
184: ok 468 # molecular exact mass after hydrogen addition
184: ok 469 # molecular formula
184: ok 470 # molecular weight
184: ok 471 # molecular exact mass
184: ok 472 # molecular hydrogen-added formula
184: ok 473 # molecule + hydrogens weight
184: ok 474 # molecular exact mass after hydrogen addition
184: ok 475 # molecular formula
184: ok 476 # molecular weight
184: ok 477 # molecular exact mass
184: ok 478 # molecular hydrogen-added formula
184: ok 479 # molecule + hydrogens weight
184: ok 480 # molecular exact mass after hydrogen addition
184: ok 481 # molecular formula
184: ok 482 # molecular weight
184: ok 483 # molecular exact mass
184: ok 484 # molecular hydrogen-added formula
184: ok 485 # molecule + hydrogens weight
184: ok 486 # molecular exact mass after hydrogen addition
184: ok 487 # molecular formula
184: ok 488 # molecular weight
184: ok 489 # molecular exact mass
184: ok 490 # molecular hydrogen-added formula
184: ok 491 # molecule + hydrogens weight
184: ok 492 # molecular exact mass after hydrogen addition
184: ok 493 # molecular formula
184: ok 494 # molecular weight
184: ok 495 # molecular exact mass
184: ok 496 # molecular hydrogen-added formula
184: ok 497 # molecule + hydrogens weight
184: ok 498 # molecular exact mass after hydrogen addition
184: ok 499 # molecular formula
184: ok 500 # molecular weight
184: ok 501 # molecular exact mass
184: ok 502 # molecular hydrogen-added formula
184: ok 503 # molecule + hydrogens weight
184: ok 504 # molecular exact mass after hydrogen addition
184: ok 505 # molecular formula
184: ok 506 # molecular weight
184: ok 507 # molecular exact mass
184: ok 508 # molecular hydrogen-added formula
184: ok 509 # molecule + hydrogens weight
184: ok 510 # molecular exact mass after hydrogen addition
184: ok 511 # molecular formula
184: ok 512 # molecular weight
184: ok 513 # molecular exact mass
184: ok 514 # molecular hydrogen-added formula
184: ok 515 # molecule + hydrogens weight
184: ok 516 # molecular exact mass after hydrogen addition
184: ok 517 # molecular formula
184: ok 518 # molecular weight
184: ok 519 # molecular exact mass
184: ok 520 # molecular hydrogen-added formula
184: ok 521 # molecule + hydrogens weight
184: ok 522 # molecular exact mass after hydrogen addition
184: ok 523 # molecular formula
184: ok 524 # molecular weight
184: ok 525 # molecular exact mass
184: ok 526 # molecular hydrogen-added formula
184: ok 527 # molecule + hydrogens weight
184: ok 528 # molecular exact mass after hydrogen addition
184: ok 529 # molecular formula
184: ok 530 # molecular weight
184: ok 531 # molecular exact mass
184: ok 532 # molecular hydrogen-added formula
184: ok 533 # molecule + hydrogens weight
184: ok 534 # molecular exact mass after hydrogen addition
184: ok 535 # molecular formula
184: ok 536 # molecular weight
184: ok 537 # molecular exact mass
184: ok 538 # molecular hydrogen-added formula
184: ok 539 # molecule + hydrogens weight
184: ok 540 # molecular exact mass after hydrogen addition
184: ok 541 # molecular formula
184: ok 542 # molecular weight
184: ok 543 # molecular exact mass
184: ok 544 # molecular hydrogen-added formula
184: ok 545 # molecule + hydrogens weight
184: ok 546 # molecular exact mass after hydrogen addition
184: ok 547 # molecular formula
184: ok 548 # molecular weight
184: ok 549 # molecular exact mass
184: ok 550 # molecular hydrogen-added formula
184: ok 551 # molecule + hydrogens weight
184: ok 552 # molecular exact mass after hydrogen addition
184: ok 553 # molecular formula
184: ok 554 # molecular weight
184: ok 555 # molecular exact mass
184: ok 556 # molecular hydrogen-added formula
184: ok 557 # molecule + hydrogens weight
184: ok 558 # molecular exact mass after hydrogen addition
184: ok 559 # molecular formula
184: ok 560 # molecular weight
184: ok 561 # molecular exact mass
184: ok 562 # molecular hydrogen-added formula
184: ok 563 # molecule + hydrogens weight
184: ok 564 # molecular exact mass after hydrogen addition
184: ok 565 # molecular formula
184: ok 566 # molecular weight
184: ok 567 # molecular exact mass
184: ok 568 # molecular hydrogen-added formula
184: ok 569 # molecule + hydrogens weight
184: ok 570 # molecular exact mass after hydrogen addition
184: ok 571 # molecular formula
184: ok 572 # molecular weight
188: 
184: ok 573 # molecular exact mass
184: ok 574 # molecular hydrogen-added formula
184: ok 575 # molecule + hydrogens weight
184: ok 576 # molecular exact mass after hydrogen addition
184: ok 577 # molecular formula
184: ok 578 # molecular weight
184: ok 579 # molecular exact mass
184: ok 580 # molecular hydrogen-added formula
184: ok 581 # molecule + hydrogens weight
184: ok 582 # molecular exact mass after hydrogen addition
184: ok 583 # molecular formula
184: ok 584 # molecular weight
184: ok 585 # molecular exact mass
184: ok 586 # molecular hydrogen-added formula
184: ok 587 # molecule + hydrogens weight
184: ok 588 # molecular exact mass after hydrogen addition
184: ok 589 # molecular formula
184: ok 590 # molecular weight
184: ok 591 # molecular exact mass
184: ok 592 # molecular hydrogen-added formula
184: ok 593 # molecule + hydrogens weight
184: ok 594 # molecular exact mass after hydrogen addition
184: ok 595 # molecular formula
184: ok 596 # molecular weight
184: ok 597 # molecular exact mass
184: ok 598 # molecular hydrogen-added formula
184: ok 599 # molecule + hydrogens weight
184: ok 600 # molecular exact mass after hydrogen addition
184: ok 601 # molecular formula
184: ok 602 # molecular weight
184: ok 603 # molecular exact mass
184: ok 604 # molecular hydrogen-added formula
184: ok 605 # molecule + hydrogens weight
184: ok 606 # molecular exact mass after hydrogen addition
184: ok 607 # molecular formula
184: ok 608 # molecular weight
184: ok 609 # molecular exact mass
184: ok 610 # molecular hydrogen-added formula
184: ok 611 # molecule + hydrogens weight
184: ok 612 # molecular exact mass after hydrogen addition
184: ok 613 # molecular formula
184: ok 614 # molecular weight
184: ok 615 # molecular exact mass
184: ok 616 # molecular hydrogen-added formula
184: ok 617 # molecule + hydrogens weight
184: ok 618 # molecular exact mass after hydrogen addition
184: ok 619 # molecular formula
184: ok 620 # molecular weight
184: ok 621 # molecular exact mass
184: ok 622 # molecular hydrogen-added formula
184: ok 623 # molecule + hydrogens weight
184: ok 624 # molecular exact mass after hydrogen addition
184: ok 625 # molecular formula
184: ok 626 # molecular weight
184: ok 627 # molecular exact mass
184: ok 628 # molecular hydrogen-added formula
184: ok 629 # molecule + hydrogens weight
184: ok 630 # molecular exact mass after hydrogen addition
184: ok 631 # molecular formula
184: ok 632 # molecular weight
184: ok 633 # molecular exact mass
184: ok 634 # molecular hydrogen-added formula
184: ok 635 # molecule + hydrogens weight
184: ok 636 # molecular exact mass after hydrogen addition
184: ok 637 # molecular formula
184: ok 638 # molecular weight
184: ok 639 # molecular exact mass
184: ok 640 # molecular hydrogen-added formula
184: ok 641 # molecule + hydrogens weight
184: ok 642 # molecular exact mass after hydrogen addition
184: ok 643 # molecular formula
184: ok 644 # molecular weight
184: ok 645 # molecular exact mass
184: ok 646 # molecular hydrogen-added formula
184: ok 647 # molecule + hydrogens weight
184: ok 648 # molecular exact mass after hydrogen addition
184: ok 649 # molecular formula
184: ok 650 # molecular weight
184: ok 651 # molecular exact mass
184: ok 652 # molecular hydrogen-added formula
184: ok 653 # molecule + hydrogens weight
184: ok 654 # molecular exact mass after hydrogen addition
184: ok 655 # molecular formula
184: ok 656 # molecular weight
184: ok 657 # molecular exact mass
184: ok 658 # molecular hydrogen-added formula
184: ok 659 # molecule + hydrogens weight
184: ok 660 # molecular exact mass after hydrogen addition
184: ok 661 # molecular formula
184: ok 662 # molecular weight
184: ok 663 # molecular exact mass
184: ok 664 # molecular hydrogen-added formula
184: ok 665 # molecule + hydrogens weight
184: ok 666 # molecular exact mass after hydrogen addition
184: ok 667 # molecular formula
184: ok 668 # molecular weight
184: ok 669 # molecular exact mass
184: ok 670 # molecular hydrogen-added formula
184: ok 671 # molecule + hydrogens weight
184: ok 672 # molecular exact mass after hydrogen addition
184: ok 673 # molecular formula
184: ok 674 # molecular weight
184: ok 675 # molecular exact mass
184: ok 676 # molecular hydrogen-added formula
184: ok 677 # molecule + hydrogens weight
184: ok 678 # molecular exact mass after hydrogen addition
184: ok 679 # molecular formula
184: ok 680 # molecular weight
184: ok 681 # molecular exact mass
184: ok 682 # molecular hydrogen-added formula
184: ok 683 # molecule + hydrogens weight
184: ok 684 # molecular exact mass after hydrogen addition
184: ok 685 # molecular formula
184: ok 686 # molecular weight
184: ok 687 # molecular exact mass
184: ok 688 # molecular hydrogen-added formula
184: ok 689 # molecule + hydrogens weight
184: ok 690 # molecular exact mass after hydrogen addition
184: ok 691 # molecular formula
184: ok 692 # molecular weight
184: ok 693 # molecular exact mass
184: ok 694 # molecular hydrogen-added formula
184: ok 695 # molecule + hydrogens weight
184: ok 696 # molecular exact mass after hydrogen addition
184: ok 697 # molecular formula
184: ok 698 # molecular weight
184: ok 699 # molecular exact mass
184: ok 700 # molecular hydrogen-added formula
184: ok 701 # molecule + hydrogens weight
184: ok 702 # molecular exact mass after hydrogen addition
184: ok 703 # molecular formula
184: ok 704 # molecular weight
184: ok 705 # molecular exact mass
184: ok 706 # molecular hydrogen-added formula
184: ok 707 # molecule + hydrogens weight
184: ok 708 # molecular exact mass after hydrogen addition
184: ok 709 # molecular formula
184: ok 710 # molecular weight
184: ok 711 # molecular exact mass
184: ok 712 # molecular hydrogen-added formula
184: ok 713 # molecule + hydrogens weight
184: ok 714 # molecular exact mass after hydrogen addition
184: ok 715 # molecular formula
184: ok 716 # molecular weight
184: ok 717 # molecular exact mass
184: ok 718 # molecular hydrogen-added formula
184: ok 719 # molecule + hydrogens weight
184: ok 720 # molecular exact mass after hydrogen addition
184: ok 721 # molecular formula
184: ok 722 # molecular weight
184: ok 723 # molecular exact mass
184: ok 724 # molecular hydrogen-added formula
184: ok 725 # molecule + hydrogens weight
184: ok 726 # molecular exact mass after hydrogen addition
184: ok 727 # molecular formula
184: ok 728 # molecular weight
184: ok 729 # molecular exact mass
184: ok 730 # molecular hydrogen-added formula
184: ok 731 # molecule + hydrogens weight
184: ok 732 # molecular exact mass after hydrogen addition
184: ok 733 # molecular formula
184: ok 734 # molecular weight
184: ok 735 # molecular exact mass
184: ok 736 # molecular hydrogen-added formula
184: ok 737 # molecule + hydrogens weight
184: ok 738 # molecular exact mass after hydrogen addition
184: ok 739 # molecular formula
184: ok 740 # molecular weight
184: ok 741 # molecular exact mass
184: ok 742 # molecular hydrogen-added formula
184: ok 743 # molecule + hydrogens weight
184: ok 744 # molecular exact mass after hydrogen addition
184: ok 745 # molecular formula
184: ok 746 # molecular weight
184: ok 747 # molecular exact mass
184: ok 748 # molecular hydrogen-added formula
184: ok 749 # molecule + hydrogens weight
184: ok 750 # molecular exact mass after hydrogen addition
184: ok 751 # molecular formula
184: ok 752 # molecular weight
184: ok 753 # molecular exact mass
184: ok 754 # molecular hydrogen-added formula
184: ok 755 # molecule + hydrogens weight
184: ok 756 # molecular exact mass after hydrogen addition
184: ok 757 # molecular formula
184: ok 758 # molecular weight
184: ok 759 # molecular exact mass
184: ok 760 # molecular hydrogen-added formula
184: ok 761 # molecule + hydrogens weight
184: ok 762 # molecular exact mass after hydrogen addition
184: ok 763 # molecular formula
184: ok 764 # molecular weight
184: ok 765 # molecular exact mass
184: ok 766 # molecular hydrogen-added formula
184: ok 767 # molecule + hydrogens weight
184: ok 768 # molecular exact mass after hydrogen addition
184: ok 769 # molecular formula
184: ok 770 # molecular weight
184: ok 771 # molecular exact mass
184: ok 772 # molecular hydrogen-added formula
184: ok 773 # molecule + hydrogens weight
184: ok 774 # molecular exact mass after hydrogen addition
184: ok 775 # molecular formula
184: ok 776 # molecular weight
184: ok 777 # molecular exact mass
184: ok 778 # molecular hydrogen-added formula
184: ok 779 # molecule + hydrogens weight
184: ok 780 # molecular exact mass after hydrogen addition
184: ok 781 # molecular formula
184: ok 782 # molecular weight
184: ok 783 # molecular exact mass
184: ok 784 # molecular hydrogen-added formula
184: ok 785 # molecule + hydrogens weight
184: ok 786 # molecular exact mass after hydrogen addition
184: ok 787 # molecular formula
184: ok 788 # molecular weight
184: ok 789 # molecular exact mass
184: ok 790 # molecular hydrogen-added formula
184: ok 791 # molecule + hydrogens weight
184: ok 792 # molecular exact mass after hydrogen addition
184: ok 793 # molecular formula
184: ok 794 # molecular weight
184: ok 795 # molecular exact mass
184: ok 796 # molecular hydrogen-added formula
184: ok 797 # molecule + hydrogens weight
184: ok 798 # molecular exact mass after hydrogen addition
184: ok 799 # molecular formula
184: ok 800 # molecular weight
184: ok 801 # molecular exact mass
184: ok 802 # molecular hydrogen-added formula
184: ok 803 # molecule + hydrogens weight
184: ok 804 # molecular exact mass after hydrogen addition
184: ok 805 # molecular formula
184: ok 806 # molecular weight
184: ok 807 # molecular exact mass
184: ok 808 # molecular hydrogen-added formula
184: ok 809 # molecule + hydrogens weight
184: ok 810 # molecular exact mass after hydrogen addition
184: ok 811 # molecular formula
184: ok 812 # molecular weight
184: ok 813 # molecular exact mass
184: ok 814 # molecular hydrogen-added formula
184: ok 815 # molecule + hydrogens weight
184: ok 816 # molecular exact mass after hydrogen addition
184: ok 817 # molecular formula
184: ok 818 # molecular weight
184: ok 819 # molecular exact mass
184: ok 820 # molecular hydrogen-added formula
184: ok 821 # molecule + hydrogens weight
184: ok 822 # molecular exact mass after hydrogen addition
184: ok 823 # molecular formula
184: ok 824 # molecular weight
184: ok 825 # molecular exact mass
184: ok 826 # molecular hydrogen-added formula
184: ok 827 # molecule + hydrogens weight
184: ok 828 # molecular exact mass after hydrogen addition
184: ok 829 # molecular formula
184: ok 830 # molecular weight
184: ok 831 # molecular exact mass
184: ok 832 # molecular hydrogen-added formula
184: ok 833 # molecule + hydrogens weight
184: ok 834 # molecular exact mass after hydrogen addition
184: ok 835 # molecular formula
184: ok 836 # molecular weight
184: ok 837 # molecular exact mass
184: ok 838 # molecular hydrogen-added formula
184: ok 839 # molecule + hydrogens weight
184: ok 840 # molecular exact mass after hydrogen addition
184: ok 841 # molecular formula
184: ok 842 # molecular weight
184: ok 843 # molecular exact mass
184: ok 844 # molecular hydrogen-added formula
184: ok 845 # molecule + hydrogens weight
184: ok 846 # molecular exact mass after hydrogen addition
184: ok 847 # molecular formula
184: ok 848 # molecular weight
184: ok 849 # molecular exact mass
184: ok 850 # molecular hydrogen-added formula
184: ok 851 # molecule + hydrogens weight
184: ok 852 # molecular exact mass after hydrogen addition
184: ok 853 # molecular formula
184: ok 854 # molecular weight
184: ok 855 # molecular exact mass
184: ok 856 # molecular hydrogen-added formula
184: ok 857 # molecule + hydrogens weight
184: ok 858 # molecular exact mass after hydrogen addition
184: ok 859 # molecular formula
184: ok 860 # molecular weight
184: ok 861 # molecular exact mass
184: ok 862 # molecular hydrogen-added formula
184: ok 863 # molecule + hydrogens weight
184: ok 864 # molecular exact mass after hydrogen addition
184: ok 865 # molecular formula
184: ok 866 # molecular weight
184: ok 867 # molecular exact mass
184: ok 868 # molecular hydrogen-added formula
184: ok 869 # molecule + hydrogens weight
184: ok 870 # molecular exact mass after hydrogen addition
184: ok 871 # molecular formula
184: ok 872 # molecular weight
184: ok 873 # molecular exact mass
184: ok 874 # molecular hydrogen-added formula
184: ok 875 # molecule + hydrogens weight
184: ok 876 # molecular exact mass after hydrogen addition
184: ok 877 # molecular formula
184: ok 878 # molecular weight
184: ok 879 # molecular exact mass
184: ok 880 # molecular hydrogen-added formula
184: ok 881 # molecule + hydrogens weight
184: ok 882 # molecular exact mass after hydrogen addition
184: ok 883 # molecular formula
184: ok 884 # molecular weight
184: ok 885 # molecular exact mass
184: ok 886 # molecular hydrogen-added formula
184: ok 887 # molecule + hydrogens weight
184: ok 888 # molecular exact mass after hydrogen addition
184: ok 889 # molecular formula
184: ok 890 # molecular weight
184: ok 891 # molecular exact mass
184: ok 892 # molecular hydrogen-added formula
184: ok 893 # molecule + hydrogens weight
184: ok 894 # molecular exact mass after hydrogen addition
184: ok 895 # molecular formula
184: ok 896 # molecular weight
184: ok 897 # molecular exact mass
184: ok 898 # molecular hydrogen-added formula
184: ok 899 # molecule + hydrogens weight
184: ok 900 # molecular exact mass after hydrogen addition
184: ok 901 # molecular formula
184: ok 902 # molecular weight
184: ok 903 # molecular exact mass
184: ok 904 # molecular hydrogen-added formula
184: ok 905 # molecule + hydrogens weight
184: ok 906 # molecular exact mass after hydrogen addition
184: ok 907 # molecular formula
184: ok 908 # molecular weight
184: ok 909 # molecular exact mass
184: ok 910 # molecular hydrogen-added formula
184: ok 911 # molecule + hydrogens weight
184: ok 912 # molecular exact mass after hydrogen addition
184: ok 913 # molecular formula
184: ok 914 # molecular weight
184: ok 915 # molecular exact mass
184: ok 916 # molecular hydrogen-added formula
184: ok 917 # molecule + hydrogens weight
184: ok 918 # molecular exact mass after hydrogen addition
184: ok 919 # molecular formula
184: ok 920 # molecular weight
184: ok 921 # molecular exact mass
184: ok 922 # molecular hydrogen-added formula
184: ok 923 # molecule + hydrogens weight
184: ok 924 # molecular exact mass after hydrogen addition
184: ok 925 # molecular formula
184: ok 926 # molecular weight
184: ok 927 # molecular exact mass
184: ok 928 # molecular hydrogen-added formula
184: ok 929 # molecule + hydrogens weight
184: ok 930 # molecular exact mass after hydrogen addition
184: ok 931 # molecular formula
184: ok 932 # molecular weight
184: ok 933 # molecular exact mass
184: ok 934 # molecular hydrogen-added formula
184: ok 935 # molecule + hydrogens weight
184: ok 936 # molecular exact mass after hydrogen addition
184: ok 937 # molecular formula
184: ok 938 # molecular weight
184: ok 939 # molecular exact mass
184: ok 940 # molecular hydrogen-added formula
184: ok 941 # molecule + hydrogens weight
184: ok 942 # molecular exact mass after hydrogen addition
184: ok 943 # molecular formula
184: ok 944 # molecular weight
184: ok 945 # molecular exact mass
184: ok 946 # molecular hydrogen-added formula
184: ok 947 # molecule + hydrogens weight
184: ok 948 # molecular exact mass after hydrogen addition
184: ok 949 # molecular formula
184: ok 950 # molecular weight
184: ok 951 # molecular exact mass
184: ok 952 # molecular hydrogen-added formula
184: ok 953 # molecule + hydrogens weight
184: ok 954 # molecular exact mass after hydrogen addition
184: ok 955 # molecular formula
184: ok 956 # molecular weight
184: ok 957 # molecular exact mass
184: ok 958 # molecular hydrogen-added formula
184: ok 959 # molecule + hydrogens weight
184: ok 960 # molecular exact mass after hydrogen addition
184: ok 961 # molecular formula
184: ok 962 # molecular weight
184: ok 963 # molecular exact mass
184: ok 964 # molecular hydrogen-added formula
184: ok 965 # molecule + hydrogens weight
184: ok 966 # molecular exact mass after hydrogen addition
184: ok 967 # molecular formula
184: ok 968 # molecular weight
184: ok 969 # molecular exact mass
184: ok 970 # molecular hydrogen-added formula
184: ok 971 # molecule + hydrogens weight
184: ok 972 # molecular exact mass after hydrogen addition
184: ok 973 # molecular formula
184: ok 974 # molecular weight
184: ok 975 # molecular exact mass
184: ok 976 # molecular hydrogen-added formula
184: ok 977 # molecule + hydrogens weight
184: ok 978 # molecular exact mass after hydrogen addition
184: ok 979 # molecular formula
184: ok 980 # molecular weight
184: ok 981 # molecular exact mass
184: ok 982 # molecular hydrogen-added formula
184: ok 983 # molecule + hydrogens weight
184: ok 984 # molecular exact mass after hydrogen addition
184: ok 985 # molecular formula
184: ok 986 # molecular weight
184: ok 987 # molecular exact mass
184: ok 988 # molecular hydrogen-added formula
184: ok 989 # molecule + hydrogens weight
184: ok 990 # molecular exact mass after hydrogen addition
184: ok 991 # molecular formula
184: ok 992 # molecular weight
184: ok 993 # molecular exact mass
184: ok 994 # molecular hydrogen-added formula
184: ok 995 # molecule + hydrogens weight
184: ok 996 # molecular exact mass after hydrogen addition
184: ok 997 # molecular formula
184: ok 998 # molecular weight
184: ok 999 # molecular exact mass
184: ok 1000 # molecular hydrogen-added formula
184: ok 1001 # molecule + hydrogens weight
184: ok 1002 # molecular exact mass after hydrogen addition
184: ok 1003 # molecular formula
184: ok 1004 # molecular weight
184: ok 1005 # molecular exact mass
184: ok 1006 # molecular hydrogen-added formula
184: ok 1007 # molecule + hydrogens weight
184: ok 1008 # molecular exact mass after hydrogen addition
184: ok 1009 # molecular formula
184: ok 1010 # molecular weight
184: ok 1011 # molecular exact mass
184: ok 1012 # molecular hydrogen-added formula
184: ok 1013 # molecule + hydrogens weight
184: ok 1014 # molecular exact mass after hydrogen addition
184: ok 1015 # molecular formula
184: ok 1016 # molecular weight
184: ok 1017 # molecular exact mass
184: ok 1018 # molecular hydrogen-added formula
184: ok 1019 # molecule + hydrogens weight
184: ok 1020 # molecular exact mass after hydrogen addition
184: ok 1021 # molecular formula
184: ok 1022 # molecular weight
184: ok 1023 # molecular exact mass
184: ok 1024 # molecular hydrogen-added formula
184: ok 1025 # molecule + hydrogens weight
184: ok 1026 # molecular exact mass after hydrogen addition
184: ok 1027 # molecular formula
184: ok 1028 # molecular weight
184: ok 1029 # molecular exact mass
184: ok 1030 # molecular hydrogen-added formula
184: ok 1031 # molecule + hydrogens weight
184: ok 1032 # molecular exact mass after hydrogen addition
184: ok 1033 # molecular formula
184: ok 1034 # molecular weight
184: ok 1035 # molecular exact mass
184: ok 1036 # molecular hydrogen-added formula
184: ok 1037 # molecule + hydrogens weight
184: ok 1038 # molecular exact mass after hydrogen addition
184: ok 1039 # molecular formula
184: ok 1040 # molecular weight
184: ok 1041 # molecular exact mass
184: ok 1042 # molecular hydrogen-added formula
184: ok 1043 # molecule + hydrogens weight
184: ok 1044 # molecular exact mass after hydrogen addition
184: ok 1045 # molecular formula
184: ok 1046 # molecular weight
184: ok 1047 # molecular exact mass
184: ok 1048 # molecular hydrogen-added formula
184: ok 1049 # molecule + hydrogens weight
184: ok 1050 # molecular exact mass after hydrogen addition
184: ok 1051 # molecular formula
184: ok 1052 # molecular weight
184: ok 1053 # molecular exact mass
184: ok 1054 # molecular hydrogen-added formula
184: ok 1055 # molecule + hydrogens weight
184: ok 1056 # molecular exact mass after hydrogen addition
184: ok 1057 # molecular formula
184: ok 1058 # molecular weight
184: ok 1059 # molecular exact mass
184: ok 1060 # molecular hydrogen-added formula
184: ok 1061 # molecule + hydrogens weight
184: ok 1062 # molecular exact mass after hydrogen addition
184: ok 1063 # molecular formula
184: ok 1064 # molecular weight
184: ok 1065 # molecular exact mass
184: ok 1066 # molecular hydrogen-added formula
184: ok 1067 # molecule + hydrogens weight
184: ok 1068 # molecular exact mass after hydrogen addition
184: ok 1069 # molecular formula
184: ok 1070 # molecular weight
184: ok 1071 # molecular exact mass
184: ok 1072 # molecular hydrogen-added formula
184: ok 1073 # molecule + hydrogens weight
184: ok 1074 # molecular exact mass after hydrogen addition
184: ok 1075 # molecular formula
184: ok 1076 # molecular weight
184: ok 1077 # molecular exact mass
184: ok 1078 # molecular hydrogen-added formula
184: ok 1079 # molecule + hydrogens weight
184: ok 1080 # molecular exact mass after hydrogen addition
184: ok 1081 # molecular formula
184: ok 1082 # molecular weight
184: ok 1083 # molecular exact mass
184: ok 1084 # molecular hydrogen-added formula
184: ok 1085 # molecule + hydrogens weight
184: ok 1086 # molecular exact mass after hydrogen addition
184: ok 1087 # molecular formula
184: ok 1088 # molecular weight
184: ok 1089 # molecular exact mass
184: ok 1090 # molecular hydrogen-added formula
184: ok 1091 # molecule + hydrogens weight
184: ok 1092 # molecular exact mass after hydrogen addition
184: ok 1093 # molecular formula
184: ok 1094 # molecular weight
184: ok 1095 # molecular exact mass
184: ok 1096 # molecular hydrogen-added formula
184: ok 1097 # molecule + hydrogens weight
184: ok 1098 # molecular exact mass after hydrogen addition
184: ok 1099 # molecular formula
184: ok 1100 # molecular weight
184: ok 1101 # molecular exact mass
184: ok 1102 # molecular hydrogen-added formula
184: ok 1103 # molecule + hydrogens weight
184: ok 1104 # molecular exact mass after hydrogen addition
184: ok 1105 # molecular formula
184: ok 1106 # molecular weight
184: ok 1107 # molecular exact mass
184: ok 1108 # molecular hydrogen-added formula
184: ok 1109 # molecule + hydrogens weight
184: ok 1110 # molecular exact mass after hydrogen addition
184: ok 1111 # molecular formula
184: ok 1112 # molecular weight
184: ok 1113 # molecular exact mass
184: ok 1114 # molecular hydrogen-added formula
184: ok 1115 # molecule + hydrogens weight
184: ok 1116 # molecular exact mass after hydrogen addition
184: ok 1117 # molecular formula
184: ok 1118 # molecular weight
184: ok 1119 # molecular exact mass
184: ok 1120 # molecular hydrogen-added formula
184: ok 1121 # molecule + hydrogens weight
184: ok 1122 # molecular exact mass after hydrogen addition
184: ok 1123 # molecular formula
184: ok 1124 # molecular weight
184: ok 1125 # molecular exact mass
184: ok 1126 # molecular hydrogen-added formula
184: ok 1127 # molecule + hydrogens weight
184: ok 1128 # molecular exact mass after hydrogen addition
184: ok 1129 # molecular formula
184: ok 1130 # molecular weight
184: ok 1131 # molecular exact mass
184: ok 1132 # molecular hydrogen-added formula
184: ok 1133 # molecule + hydrogens weight
184: ok 1134 # molecular exact mass after hydrogen addition
184: ok 1135 # molecular formula
184: ok 1136 # molecular weight
184: ok 1137 # molecular exact mass
184: ok 1138 # molecular hydrogen-added formula
184: ok 1139 # molecule + hydrogens weight
184: ok 1140 # molecular exact mass after hydrogen addition
184: ok 1141 # molecular formula
184: ok 1142 # molecular weight
184: ok 1143 # molecular exact mass
184: ok 1144 # molecular hydrogen-added formula
184: ok 1145 # molecule + hydrogens weight
184: ok 1146 # molecular exact mass after hydrogen addition
184: ok 1147 # molecular formula
184: ok 1148 # molecular weight
184: ok 1149 # molecular exact mass
184: ok 1150 # molecular hydrogen-added formula
184: ok 1151 # molecule + hydrogens weight
184: ok 1152 # molecular exact mass after hydrogen addition
184: ok 1153 # molecular formula
184: ok 1154 # molecular weight
184: ok 1155 # molecular exact mass
184: ok 1156 # molecular hydrogen-added formula
184: ok 1157 # molecule + hydrogens weight
184: ok 1158 # molecular exact mass after hydrogen addition
184: ok 1159 # molecular formula
184: ok 1160 # molecular weight
184: ok 1161 # molecular exact mass
184: ok 1162 # molecular hydrogen-added formula
184: ok 1163 # molecule + hydrogens weight
184: ok 1164 # molecular exact mass after hydrogen addition
184: ok 1165 # molecular formula
184: ok 1166 # molecular weight
184: ok 1167 # molecular exact mass
184: ok 1168 # molecular hydrogen-added formula
184: ok 1169 # molecule + hydrogens weight
184: ok 1170 # molecular exact mass after hydrogen addition
184: ok 1171 # molecular formula
184: ok 1172 # molecular weight
184: ok 1173 # molecular exact mass
184: ok 1174 # molecular hydrogen-added formula
184: ok 1175 # molecule + hydrogens weight
184: ok 1176 # molecular exact mass after hydrogen addition
184: ok 1177 # molecular formula
184: ok 1178 # molecular weight
184: ok 1179 # molecular exact mass
184: ok 1180 # molecular hydrogen-added formula
184: ok 1181 # molecule + hydrogens weight
184: ok 1182 # molecular exact mass after hydrogen addition
184: ok 1183 # molecular formula
184: ok 1184 # molecular weight
184: ok 1185 # molecular exact mass
184: ok 1186 # molecular hydrogen-added formula
184: ok 1187 # molecule + hydrogens weight
184: ok 1188 # molecular exact mass after hydrogen addition
184: ok 1189 # molecular formula
184: ok 1190 # molecular weight
184: ok 1191 # molecular exact mass
184: ok 1192 # molecular hydrogen-added formula
184: ok 1193 # molecule + hydrogens weight
184: ok 1194 # molecular exact mass after hydrogen addition
184: ok 1195 # molecular formula
184: ok 1196 # molecular weight
184: ok 1197 # molecular exact mass
184: ok 1198 # molecular hydrogen-added formula
184: ok 1199 # molecule + hydrogens weight
184: ok 1200 # molecular exact mass after hydrogen addition
184: ok 1201 # molecular formula
184: ok 1202 # molecular weight
184: ok 1203 # molecular exact mass
184: ok 1204 # molecular hydrogen-added formula
184: ok 1205 # molecule + hydrogens weight
184: ok 1206 # molecular exact mass after hydrogen addition
184: ok 1207 # molecular formula
184: ok 1208 # molecular weight
184: ok 1209 # molecular exact mass
184: ok 1210 # molecular hydrogen-added formula
184: ok 1211 # molecule + hydrogens weight
184: ok 1212 # molecular exact mass after hydrogen addition
184: ok 1213 # molecular formula
184: ok 1214 # molecular weight
184: ok 1215 # molecular exact mass
184: ok 1216 # molecular hydrogen-added formula
184: ok 1217 # molecule + hydrogens weight
184: ok 1218 # molecular exact mass after hydrogen addition
184: ok 1219 # molecular formula
184: ok 1220 # molecular weight
184: ok 1221 # molecular exact mass
184: ok 1222 # molecular hydrogen-added formula
184: ok 1223 # molecule + hydrogens weight
184: ok 1224 # molecular exact mass after hydrogen addition
184: ok 1225 # molecular formula
184: ok 1226 # molecular weight
184: ok 1227 # molecular exact mass
184: ok 1228 # molecular hydrogen-added formula
184: ok 1229 # molecule + hydrogens weight
184: ok 1230 # molecular exact mass after hydrogen addition
184: ok 1231 # molecular formula
184: ok 1232 # molecular weight
184: ok 1233 # molecular exact mass
184: ok 1234 # molecular hydrogen-added formula
184: ok 1235 # molecule + hydrogens weight
184: ok 1236 # molecular exact mass after hydrogen addition
184: ok 1237 # molecular formula
184: ok 1238 # molecular weight
184: ok 1239 # molecular exact mass
184: ok 1240 # molecular hydrogen-added formula
184: ok 1241 # molecule + hydrogens weight
184: ok 1242 # molecular exact mass after hydrogen addition
184: ok 1243 # molecular formula
184: ok 1244 # molecular weight
184: ok 1245 # molecular exact mass
184: ok 1246 # molecular hydrogen-added formula
184: ok 1247 # molecule + hydrogens weight
184: ok 1248 # molecular exact mass after hydrogen addition
184: ok 1249 # molecular formula
184: ok 1250 # molecular weight
184: ok 1251 # molecular exact mass
184: ok 1252 # molecular hydrogen-added formula
184: ok 1253 # molecule + hydrogens weight
184: ok 1254 # molecular exact mass after hydrogen addition
184: ok 1255 # molecular formula
184: ok 1256 # molecular weight
184: ok 1257 # molecular exact mass
184: ok 1258 # molecular hydrogen-added formula
184: ok 1259 # molecule + hydrogens weight
184: ok 1260 # molecular exact mass after hydrogen addition
184: ok 1261 # molecular formula
184: ok 1262 # molecular weight
184: ok 1263 # molecular exact mass
184: ok 1264 # molecular hydrogen-added formula
184: ok 1265 # molecule + hydrogens weight
184: ok 1266 # molecular exact mass after hydrogen addition
184: ok 1267 # molecular formula
184: ok 1268 # molecular weight
184: ok 1269 # molecular exact mass
184: ok 1270 # molecular hydrogen-added formula
184: ok 1271 # molecule + hydrogens weight
184: ok 1272 # molecular exact mass after hydrogen addition
184: ok 1273 # molecular formula
184: ok 1274 # molecular weight
184: ok 1275 # molecular exact mass
184: ok 1276 # molecular hydrogen-added formula
184: ok 1277 # molecule + hydrogens weight
184: ok 1278 # molecular exact mass after hydrogen addition
184: ok 1279 # molecular formula
184: ok 1280 # molecular weight
184: ok 1281 # molecular exact mass
184: ok 1282 # molecular hydrogen-added formula
184: ok 1283 # molecule + hydrogens weight
184: ok 1284 # molecular exact mass after hydrogen addition
184: ok 1285 # molecular formula
184: ok 1286 # molecular weight
184: ok 1287 # molecular exact mass
184: ok 1288 # molecular hydrogen-added formula
184: ok 1289 # molecule + hydrogens weight
184: ok 1290 # molecular exact mass after hydrogen addition
184: ok 1291 # molecular formula
184: ok 1292 # molecular weight
184: ok 1293 # molecular exact mass
184: ok 1294 # molecular hydrogen-added formula
184: ok 1295 # molecule + hydrogens weight
184: ok 1296 # molecular exact mass after hydrogen addition
184: ok 1297 # molecular formula
184: ok 1298 # molecular weight
184: ok 1299 # molecular exact mass
184: ok 1300 # molecular hydrogen-added formula
184: ok 1301 # molecule + hydrogens weight
184: ok 1302 # molecular exact mass after hydrogen addition
184: ok 1303 # molecular formula
184: ok 1304 # molecular weight
184: ok 1305 # molecular exact mass
184: ok 1306 # molecular hydrogen-added formula
184: ok 1307 # molecule + hydrogens weight
184: ok 1308 # molecular exact mass after hydrogen addition
184: ok 1309 # molecular formula
184: ok 1310 # molecular weight
184: ok 1311 # molecular exact mass
184: ok 1312 # molecular hydrogen-added formula
184: ok 1313 # molecule + hydrogens weight
184: ok 1314 # molecular exact mass after hydrogen addition
184: ok 1315 # molecular formula
184: ok 1316 # molecular weight
184: ok 1317 # molecular exact mass
184: ok 1318 # molecular hydrogen-added formula
184: ok 1319 # molecule + hydrogens weight
184: ok 1320 # molecular exact mass after hydrogen addition
184: ok 1321 # molecular formula
184: ok 1322 # molecular weight
184: ok 1323 # molecular exact mass
184: ok 1324 # molecular hydrogen-added formula
184: ok 1325 # molecule + hydrogens weight
184: ok 1326 # molecular exact mass after hydrogen addition
184: ok 1327 # molecular formula
184: ok 1328 # molecular weight
184: ok 1329 # molecular exact mass
184: ok 1330 # molecular hydrogen-added formula
184: ok 1331 # molecule + hydrogens weight
184: ok 1332 # molecular exact mass after hydrogen addition
184: ok 1333 # molecular formula
184: ok 1334 # molecular weight
184: ok 1335 # molecular exact mass
184: ok 1336 # molecular hydrogen-added formula
184: ok 1337 # molecule + hydrogens weight
184: ok 1338 # molecular exact mass after hydrogen addition
184: ok 1339 # molecular formula
184: ok 1340 # molecular weight
184: ok 1341 # molecular exact mass
184: ok 1342 # molecular hydrogen-added formula
184: ok 1343 # molecule + hydrogens weight
184: ok 1344 # molecular exact mass after hydrogen addition
184: ok 1345 # molecular formula
184: ok 1346 # molecular weight
184: ok 1347 # molecular exact mass
184: ok 1348 # molecular hydrogen-added formula
184: ok 1349 # molecule + hydrogens weight
184: ok 1350 # molecular exact mass after hydrogen addition
184: ok 1351 # molecular formula
184: ok 1352 # molecular weight
184: ok 1353 # molecular exact mass
184: ok 1354 # molecular hydrogen-added formula
184: ok 1355 # molecule + hydrogens weight
184: ok 1356 # molecular exact mass after hydrogen addition
184: ok 1357 # molecular formula
184: ok 1358 # molecular weight
184: ok 1359 # molecular exact mass
184: ok 1360 # molecular hydrogen-added formula
184: ok 1361 # molecule + hydrogens weight
184: ok 1362 # molecular exact mass after hydrogen addition
184: ok 1363 # molecular formula
184: ok 1364 # molecular weight
184: ok 1365 # molecular exact mass
184: ok 1366 # molecular hydrogen-added formula
184: ok 1367 # molecule + hydrogens weight
184: ok 1368 # molecular exact mass after hydrogen addition
184: ok 1369 # molecular formula
184: ok 1370 # molecular weight
184: ok 1371 # molecular exact mass
184: ok 1372 # molecular hydrogen-added formula
184: ok 1373 # molecule + hydrogens weight
184: ok 1374 # molecular exact mass after hydrogen addition
184: ok 1375 # molecular formula
184: ok 1376 # molecular weight
184: ok 1377 # molecular exact mass
184: ok 1378 # molecular hydrogen-added formula
184: ok 1379 # molecule + hydrogens weight
184: ok 1380 # molecular exact mass after hydrogen addition
184: ok 1381 # molecular formula
184: ok 1382 # molecular weight
184: ok 1383 # molecular exact mass
184: ok 1384 # molecular hydrogen-added formula
184: ok 1385 # molecule + hydrogens weight
184: ok 1386 # molecular exact mass after hydrogen addition
184: ok 1387 # molecular formula
184: ok 1388 # molecular weight
184: ok 1389 # molecular exact mass
184: ok 1390 # molecular hydrogen-added formula
184: ok 1391 # molecule + hydrogens weight
184: ok 1392 # molecular exact mass after hydrogen addition
184: ok 1393 # molecular formula
184: ok 1394 # molecular weight
184: ok 1395 # molecular exact mass
184: ok 1396 # molecular hydrogen-added formula
184: ok 1397 # molecule + hydrogens weight
184: ok 1398 # molecular exact mass after hydrogen addition
184: ok 1399 # molecular formula
184: ok 1400 # molecular weight
184: ok 1401 # molecular exact mass
184: ok 1402 # molecular hydrogen-added formula
184: ok 1403 # molecule + hydrogens weight
184: ok 1404 # molecular exact mass after hydrogen addition
184: ok 1405 # molecular formula
184: ok 1406 # molecular weight
184: ok 1407 # molecular exact mass
184: ok 1408 # molecular hydrogen-added formula
184: ok 1409 # molecule + hydrogens weight
184: ok 1410 # molecular exact mass after hydrogen addition
184: ok 1411 # molecular formula
184: ok 1412 # molecular weight
184: ok 1413 # molecular exact mass
184: ok 1414 # molecular hydrogen-added formula
184: ok 1415 # molecule + hydrogens weight
184: ok 1416 # molecular exact mass after hydrogen addition
184: ok 1417 # molecular formula
184: ok 1418 # molecular weight
184: ok 1419 # molecular exact mass
184: ok 1420 # molecular hydrogen-added formula
184: ok 1421 # molecule + hydrogens weight
184: ok 1422 # molecular exact mass after hydrogen addition
184: ok 1423 # molecular formula
184: ok 1424 # molecular weight
184: ok 1425 # molecular exact mass
184: ok 1426 # molecular hydrogen-added formula
184: ok 1427 # molecule + hydrogens weight
184: ok 1428 # molecular exact mass after hydrogen addition
184: ok 1429 # molecular formula
184: ok 1430 # molecular weight
184: ok 1431 # molecular exact mass
184: ok 1432 # molecular hydrogen-added formula
184: ok 1433 # molecule + hydrogens weight
184: ok 1434 # molecular exact mass after hydrogen addition
184: ok 1435 # molecular formula
184: ok 1436 # molecular weight
184: ok 1437 # molecular exact mass
184: ok 1438 # molecular hydrogen-added formula
184: ok 1439 # molecule + hydrogens weight
184: ok 1440 # molecular exact mass after hydrogen addition
184: ok 1441 # molecular formula
184: ok 1442 # molecular weight
184: ok 1443 # molecular exact mass
184: ok 1444 # molecular hydrogen-added formula
184: ok 1445 # molecule + hydrogens weight
184: ok 1446 # molecular exact mass after hydrogen addition
184: ok 1447 # molecular formula
184: ok 1448 # molecular weight
184: ok 1449 # molecular exact mass
184: ok 1450 # molecular hydrogen-added formula
184: ok 1451 # molecule + hydrogens weight
184: ok 1452 # molecular exact mass after hydrogen addition
184: ok 1453 # molecular formula
184: ok 1454 # molecular weight
184: ok 1455 # molecular exact mass
184: ok 1456 # molecular hydrogen-added formula
184: ok 1457 # molecule + hydrogens weight
184: ok 1458 # molecular exact mass after hydrogen addition
184: ok 1459 # molecular formula
184: ok 1460 # molecular weight
184: ok 1461 # molecular exact mass
184: ok 1462 # molecular hydrogen-added formula
184: ok 1463 # molecule + hydrogens weight
184: ok 1464 # molecular exact mass after hydrogen addition
184: ok 1465 # molecular formula
184: ok 1466 # molecular weight
184: ok 1467 # molecular exact mass
184: ok 1468 # molecular hydrogen-added formula
184: ok 1469 # molecule + hydrogens weight
184: ok 1470 # molecular exact mass after hydrogen addition
184: ok 1471 # molecular formula
184: ok 1472 # molecular weight
184: ok 1473 # molecular exact mass
184: ok 1474 # molecular hydrogen-added formula
184: ok 1475 # molecule + hydrogens weight
184: ok 1476 # molecular exact mass after hydrogen addition
184: ok 1477 # molecular formula
184: ok 1478 # molecular weight
184: ok 1479 # molecular exact mass
184: ok 1480 # molecular hydrogen-added formula
184: ok 1481 # molecule + hydrogens weight
184: ok 1482 # molecular exact mass after hydrogen addition
184: ok 1483 # molecular formula
184: ok 1484 # molecular weight
184: ok 1485 # molecular exact mass
184: ok 1486 # molecular hydrogen-added formula
184: ok 1487 # molecule + hydrogens weight
184: ok 1488 # molecular exact mass after hydrogen addition
184: ok 1489 # molecular formula
184: ok 1490 # molecular weight
184: ok 1491 # molecular exact mass
184: ok 1492 # molecular hydrogen-added formula
184: ok 1493 # molecule + hydrogens weight
184: ok 1494 # molecular exact mass after hydrogen addition
184: ok 1495 # molecular formula
184: ok 1496 # molecular weight
184: ok 1497 # molecular exact mass
184: ok 1498 # molecular hydrogen-added formula
184: ok 1499 # molecule + hydrogens weight
184: ok 1500 # molecular exact mass after hydrogen addition
184: ok 1501 # molecular formula
184: ok 1502 # molecular weight
184: ok 1503 # molecular exact mass
184: ok 1504 # molecular hydrogen-added formula
184: ok 1505 # molecule + hydrogens weight
184: ok 1506 # molecular exact mass after hydrogen addition
184: ok 1507 # molecular formula
184: ok 1508 # molecular weight
184: ok 1509 # molecular exact mass
184: ok 1510 # molecular hydrogen-added formula
184: ok 1511 # molecule + hydrogens weight
184: ok 1512 # molecular exact mass after hydrogen addition
184: ok 1513 # molecular formula
184: ok 1514 # molecular weight
184: ok 1515 # molecular exact mass
184: ok 1516 # molecular hydrogen-added formula
184: ok 1517 # molecule + hydrogens weight
184: ok 1518 # molecular exact mass after hydrogen addition
184: ok 1519 # molecular formula
184: ok 1520 # molecular weight
184: ok 1521 # molecular exact mass
184: ok 1522 # molecular hydrogen-added formula
184: ok 1523 # molecule + hydrogens weight
184: ok 1524 # molecular exact mass after hydrogen addition
184: ok 1525 # molecular formula
184: ok 1526 # molecular weight
184: ok 1527 # molecular exact mass
184: ok 1528 # molecular hydrogen-added formula
184: ok 1529 # molecule + hydrogens weight
184: ok 1530 # molecular exact mass after hydrogen addition
184: ok 1531 # molecular formula
184: ok 1532 # molecular weight
184: ok 1533 # molecular exact mass
184: ok 1534 # molecular hydrogen-added formula
184: ok 1535 # molecule + hydrogens weight
184: ok 1536 # molecular exact mass after hydrogen addition
184: ok 1537 # molecular formula
184: ok 1538 # molecular weight
184: ok 1539 # molecular exact mass
184: ok 1540 # molecular hydrogen-added formula
184: ok 1541 # molecule + hydrogens weight
184: ok 1542 # molecular exact mass after hydrogen addition
184: ok 1543 # molecular formula
184: ok 1544 # molecular weight
184: ok 1545 # molecular exact mass
184: ok 1546 # molecular hydrogen-added formula
184: ok 1547 # molecule + hydrogens weight
184: ok 1548 # molecular exact mass after hydrogen addition
184: ok 1549 # molecular formula
184: ok 1550 # molecular weight
184: ok 1551 # molecular exact mass
184: ok 1552 # molecular hydrogen-added formula
184: ok 1553 # molecule + hydrogens weight
184: ok 1554 # molecular exact mass after hydrogen addition
184: ok 1555 # molecular formula
184: ok 1556 # molecular weight
184: ok 1557 # molecular exact mass
184: ok 1558 # molecular hydrogen-added formula
184: ok 1559 # molecule + hydrogens weight
184: ok 1560 # molecular exact mass after hydrogen addition
184: ok 1561 # molecular formula
184: ok 1562 # molecular weight
184: ok 1563 # molecular exact mass
184: ok 1564 # molecular hydrogen-added formula
184: ok 1565 # molecule + hydrogens weight
184: ok 1566 # molecular exact mass after hydrogen addition
184: ok 1567 # molecular formula
184: ok 1568 # molecular weight
184: ok 1569 # molecular exact mass
184: ok 1570 # molecular hydrogen-added formula
184: ok 1571 # molecule + hydrogens weight
184: ok 1572 # molecular exact mass after hydrogen addition
184: ok 1573 # molecular formula
184: ok 1574 # molecular weight
184: ok 1575 # molecular exact mass
184: ok 1576 # molecular hydrogen-added formula
184: ok 1577 # molecule + hydrogens weight
184: ok 1578 # molecular exact mass after hydrogen addition
184: ok 1579 # molecular formula
184: ok 1580 # molecular weight
184: ok 1581 # molecular exact mass
184: ok 1582 # molecular hydrogen-added formula
184: ok 1583 # molecule + hydrogens weight
184: ok 1584 # molecular exact mass after hydrogen addition
184: ok 1585 # molecular formula
184: ok 1586 # molecular weight
184: ok 1587 # molecular exact mass
184: ok 1588 # molecular hydrogen-added formula
184: ok 1589 # molecule + hydrogens weight
184: ok 1590 # molecular exact mass after hydrogen addition
184: ok 1591 # molecular formula
184: ok 1592 # molecular weight
184: ok 1593 # molecular exact mass
184: ok 1594 # molecular hydrogen-added formula
184: ok 1595 # molecule + hydrogens weight
184: ok 1596 # molecular exact mass after hydrogen addition
184: ok 1597 # molecular formula
184: ok 1598 # molecular weight
184: ok 1599 # molecular exact mass
184: ok 1600 # molecular hydrogen-added formula
184: ok 1601 # molecule + hydrogens weight
184: ok 1602 # molecular exact mass after hydrogen addition
184: ok 1603 # molecular formula
184: ok 1604 # molecular weight
184: ok 1605 # molecular exact mass
184: ok 1606 # molecular hydrogen-added formula
184: ok 1607 # molecule + hydrogens weight
184: ok 1608 # molecular exact mass after hydrogen addition
184: ok 1609 # molecular formula
184: ok 1610 # molecular weight
184: ok 1611 # molecular exact mass
184: ok 1612 # molecular hydrogen-added formula
184: ok 1613 # molecule + hydrogens weight
184: ok 1614 # molecular exact mass after hydrogen addition
184: ok 1615 # molecular formula
184: ok 1616 # molecular weight
184: ok 1617 # molecular exact mass
184: ok 1618 # molecular hydrogen-added formula
184: ok 1619 # molecule + hydrogens weight
184: ok 1620 # molecular exact mass after hydrogen addition
184: ok 1621 # molecular formula
184: ok 1622 # molecular weight
184: ok 1623 # molecular exact mass
184: ok 1624 # molecular hydrogen-added formula
184: ok 1625 # molecule + hydrogens weight
184: ok 1626 # molecular exact mass after hydrogen addition
184: ok 1627 # molecular formula
184: ok 1628 # molecular weight
184: ok 1629 # molecular exact mass
184: ok 1630 # molecular hydrogen-added formula
184: ok 1631 # molecule + hydrogens weight
184: ok 1632 # molecular exact mass after hydrogen addition
184: 1..1632
188: # Testing iterators...  
188: ok 1
188: ok 2
188: ok 3
188: ok 4
188: ok 5
188: ok 6
188: ok 7
188: ok 8
188: ok 9
188: ok 10
188: ok 11
188: ok 12
188: ok 13
188: ok 14
188: ok 15
188: ok 16
188: ok 17
188: ok 18
188: ok 19
188: ok 20
188: ok 21
188: ok 22
188: ok 23
188: ok 24
188: ok 25
188: ok 26
188: ok 27
188: ok 28
188: ok 29
188: ok 30
188: ok 31
188: ok 32
188: ok 33
188: ok 34
188: ok 35
188: ok 36
188: ok 37
188: ok 38
188: ok 39
188: ok 40
188: ok 41
188: ok 42
188: ok 43
188: ok 44
188: ok 45
188: ok 46
188: ok 47
188: ok 48
188: ok 49
188: ok 50
188: ok 51
188: ok 52
188: ok 53
188: ok 54
188: ok 55
188: ok 56
188: ok 57
188: ok 58
188: ok 59
188: ok 60
188: ok 61
188: ok 62
188: ok 63
188: ok 64
188: ok 65
188: ok 66
188: ok 67
188: ok 68
188: ok 69
188: ok 70
188: ok 71
188: ok 72
188: ok 73
188: ok 74
188: ok 75
188: ok 76
188: ok 77
188: ok 78
188: ok 79
188: ok 80
188: ok 81
188: ok 82
188: ok 83
188: ok 84
188: ok 85
188: ok 86
188: ok 87
188: ok 88
188: ok 89
188: ok 90
188: ok 91
188: ok 92
188: ok 93
188: ok 94
188: ok 95
188: ok 96
188: ok 97
188: ok 98
188: ok 99
188: ok 100
188: ok 101
188: ok 102
188: ok 103
188: ok 104
188: ok 105
188: ok 106
188: ok 107
188: ok 108
188: ok 109
188: ok 110
188: ok 111
188: ok 112
188: ok 113
188: ok 114
188: ok 115
188: ok 116
188: ok 117
188: ok 118
188: ok 119
188: ok 120
188: ok 121
188: ok 122
188: ok 123
188: ok 124
188: ok 125
188: ok 126
188: ok 127
188: ok 128
188: ok 129
188: ok 130
188: ok 131
188: ok 132
188: ok 133
188: ok 134
188: ok 135
188: ok 136
188: ok 137
188: ok 138
188: ok 139
188: ok 140
188: ok 141
188: ok 142
188: ok 143
188: ok 144
188: ok 145
188: ok 146
188: ok 147
188: ok 148
188: ok 149
188: ok 150
188: ok 151
188: ok 152
188: ok 153
188: ok 154
188: ok 155
188: ok 156
188: ok 157
188: ok 158
188: ok 159
188: ok 160
188: ok 161
188: ok 162
188: ok 163
188: ok 164
188: ok 165
188: ok 166
188: ok 167
188: ok 168
188: ok 169
188: ok 170
188: ok 171
188: ok 172
188: ok 173
188: ok 174
188: ok 175
188: ok 176
188: ok 177
188: ok 178
188: ok 179
188: ok 180
188: ok 181
188: ok 182
188: ok 183
188: ok 184
188: ok 185
188: ok 186
188: ok 187
188: ok 188
188: ok 189
188: ok 190
188: ok 191
188: ok 192
188: ok 193
188: ok 194
188: ok 195
188: ok 196
188: ok 197
188: ok 198
188: ok 199
188: ok 200
188: ok 201
188: ok 202
188: ok 203
188: ok 204
188: ok 205
188: ok 206
188: ok 207
188: ok 208
188: ok 209
188: ok 210
188: ok 211
188: ok 212
188: ok 213
188: ok 214
188: ok 215
188: ok 216
188: ok 217
188: ok 218
188: ok 219
188: ok 220
188: ok 221
188: ok 222
188: ok 223
188: ok 224
188: ok 225
188: ok 226
188: ok 227
188: ok 228
188: ok 229
188: ok 230
188: ok 231
188: ok 232
188: ok 233
188: ok 234
188: ok 235
188: ok 236
188: ok 237
188: ok 238
188: ok 239
188: ok 240
188: ok 241
188: ok 242
188: ok 243
188: ok 244
188: ok 245
188: ok 246
188: ok 247
188: ok 248
188: ok 249
188: ok 250
188: ok 251
188: ok 252
188: ok 253
188: ok 254
188: ok 255
188: ok 256
188: ok 257
188: ok 258
188: ok 259
188: ok 260
188: ok 261
188: ok 262
188: ok 263
188: ok 264
188: ok 265
188: ok 266
188: ok 267
188: ok 268
188: ok 269
188: ok 270
188: ok 271
188: ok 272
188: ok 273
188: ok 274
188: ok 275
188: ok 276
188: ok 277
188: ok 278
188: ok 279
188: ok 280
188: ok 281
188: ok 282
188: ok 283
188: ok 284
188: ok 285
188: ok 286
188: ok 287
188: ok 288
188: ok 289
188: ok 290
188: ok 291
188: ok 292
188: ok 293
188: ok 294
188: ok 295
188: ok 296
188: ok 297
188: ok 298
188: ok 299
188: ok 300
188: ok 301
188: ok 302
188: ok 303
188: ok 304
188: ok 305
188: ok 306
188: ok 307
188: ok 308
188: ok 309
188: ok 310
188: ok 311
188: ok 312
188: ok 313
188: ok 314
188: ok 315
188: ok 316
188: ok 317
188: ok 318
188: ok 319
188: ok 320
188: ok 321
188: ok 322
188: ok 323
188: ok 324
188: ok 325
188: ok 326
188: ok 327
188: ok 328
188: ok 329
188: ok 330
188: ok 331
188: ok 332
188: ok 333
188: ok 334
188: ok 335
188: ok 336
188: ok 337
188: ok 338
188: ok 339
188: ok 340
188: ok 341
188: ok 342
188: ok 343
188: ok 344
188: ok 345
188: ok 346
188: ok 347
188: ok 348
188: ok 349
188: ok 350
188: ok 351
188: ok 352
188: ok 353
188: ok 354
188: ok 355
188: ok 356
188: ok 357
188: ok 358
188: ok 359
188: ok 360
188: ok 361
188: ok 362
188: ok 363
188: ok 364
188: ok 365
188: ok 366
188: ok 367
188: ok 368
188: ok 369
188: ok 370
188: ok 371
188: ok 372
188: ok 373
188: ok 374
188: ok 375
188: ok 376
188: ok 377
188: ok 378
188: ok 379
188: ok 380
188: ok 381
188: ok 382
188: ok 383
188: ok 384
188: ok 385
188: ok 386
188: ok 387
188: ok 388
188: ok 389
188: ok 390
188: ok 391
188: ok 392
188: ok 393
188: ok 394
188: ok 395
188: ok 396
188: ok 397
188: ok 398
188: ok 399
188: ok 400
188: ok 401
188: ok 402
188: ok 403
188: ok 404
188: ok 405
188: ok 406
188: ok 407
188: ok 408
188: ok 409
188: ok 410
188: ok 411
188: ok 412
188: ok 413
188: ok 414
188: ok 415
188: ok 416
188: ok 417
188: ok 418
188: ok 419
188: ok 420
188: ok 421
188: ok 422
188: ok 423
188: ok 424
188: ok 425
188: ok 426
188: ok 427
188: ok 428
188: ok 429
188: ok 430
188: ok 431
188: ok 432
188: ok 433
188: ok 434
188: ok 435
188: ok 436
188: ok 437
188: ok 438
188: ok 439
188: ok 440
188: ok 441
188: ok 442
188: ok 443
188: ok 444
188: ok 445
188: ok 446
188: ok 447
188: ok 448
188: ok 449
188: ok 450
188: ok 451
188: ok 452
188: ok 453
188: ok 454
188: ok 455
188: ok 456
188: ok 457
188: ok 458
188: ok 459
188: ok 460
188: ok 461
188: ok 462
188: ok 463
188: ok 464
188: ok 465
188: ok 466
188: ok 467
188: ok 468
188: ok 469
188: ok 470
188: ok 471
188: ok 472
188: ok 473
188: ok 474
188: ok 475
188: ok 476
188: ok 477
188: ok 478
188: ok 479
188: ok 480
188: ok 481
188: ok 482
188: ok 483
188: ok 484
188: ok 485
188: ok 486
188: ok 487
188: ok 488
188: ok 489
188: ok 490
188: ok 491
188: ok 492
188: ok 493
188: ok 494
188: ok 495
188: ok 496
188: ok 497
188: ok 498
188: ok 499
188: ok 500
188: ok 501
188: ok 502
188: ok 503
188: ok 504
188: ok 505
188: ok 506
188: ok 507
188: ok 508
188: ok 509
188: ok 510
188: ok 511
188: ok 512
188: ok 513
188: ok 514
188: ok 515
188: ok 516
188: ok 517
188: ok 518
188: ok 519
188: ok 520
188: ok 521
188: ok 522
188: ok 523
188: ok 524
188: ok 525
188: ok 526
188: ok 527
188: ok 528
188: ok 529
188: ok 530
188: ok 531
188: ok 532
188: ok 533
188: ok 534
188: ok 535
188: ok 536
188: ok 537
188: ok 538
188: ok 539
188: ok 540
188: ok 541
188: ok 542
188: ok 543
188: ok 544
188: ok 545
188: ok 546
188: ok 547
188: ok 548
188: ok 549
188: ok 550
188: ok 551
188: ok 552
188: ok 553
188: ok 554
188: ok 555
188: ok 556
188: ok 557
188: ok 558
188: ok 559
188: ok 560
188: ok 561
188: ok 562
188: ok 563
188: ok 564
188: ok 565
188: ok 566
188: ok 567
188: ok 568
188: ok 569
188: ok 570
188: ok 571
188: ok 572
188: ok 573
188: ok 574
188: ok 575
188: ok 576
188: ok 577
188: ok 578
188: ok 579
188: ok 580
188: ok 581
188: ok 582
188: ok 583
188: ok 584
188: ok 585
188: ok 586
188: ok 587
188: ok 588
188: ok 589
188: ok 590
188: ok 591
188: ok 592
188: ok 593
188: ok 594
188: ok 595
188: ok 596
188: ok 597
188: ok 598
188: ok 599
188: ok 600
188: ok 601
188: ok 602
188: ok 603
188: ok 604
188: ok 605
188: ok 606
188: ok 607
188: ok 608
188: ok 609
188: ok 610
188: ok 611
188: ok 612
188: ok 613
188: ok 614
188: ok 615
188: ok 616
188: ok 617
188: ok 618
188: ok 619
188: ok 620
188: ok 621
188: ok 622
188: ok 623
188: ok 624
188: ok 625
188: ok 626
188: ok 627
188: ok 628
188: ok 629
188: ok 630
188: ok 631
188: ok 632
188: ok 633
188: ok 634
188: ok 635
188: ok 636
188: ok 637
188: ok 638
188: ok 639
188: ok 640
188: ok 641
188: ok 642
188: ok 643
188: ok 644
188: ok 645
188: ok 646
188: ok 647
188: ok 648
188: ok 649
188: ok 650
188: ok 651
188: ok 652
188: ok 653
188: ok 654
188: ok 655
188: ok 656
188: ok 657
188: ok 658
188: ok 659
188: ok 660
188: ok 661
188: ok 662
188: ok 663
188: ok 664
188: ok 665
188: ok 666
188: ok 667
188: ok 668
188: ok 669
188: ok 670
188: ok 671
188: ok 672
188: ok 673
188: ok 674
188: ok 675
188: ok 676
188: ok 677
188: ok 678
188: ok 679
188: ok 680
188: ok 681
188: ok 682
188: ok 683
188: ok 684
188: ok 685
188: ok 686
188: ok 687
188: ok 688
188: ok 689
188: ok 690
188: ok 691
188: ok 692
188: ok 693
188: ok 694
188: ok 695
188: ok 696
188: ok 697
188: ok 698
188: ok 699
188: ok 700
188: ok 701
188: ok 702
188: ok 703
188: ok 704
188: ok 705
188: ok 706
188: ok 707
188: ok 708
188: ok 709
188: ok 710
188: ok 711
188: ok 712
188: ok 713
188: ok 714
188: ok 715
188: ok 716
188: ok 717
188: ok 718
188: ok 719
188: ok 720
188: ok 721
188: ok 722
188: ok 723
188: ok 724
188: ok 725
188: ok 726
188: ok 727
188: ok 728
188: ok 729
188: ok 730
188: ok 731
188: ok 732
188: ok 733
188: ok 734
188: ok 735
188: ok 736
188: ok 737
188: ok 738
188: ok 739
188: ok 740
188: ok 741
188: ok 742
188: ok 743
188: ok 744
188: ok 745
188: ok 746
188: ok 747
188: ok 748
188: ok 749
188: ok 750
188: ok 751
188: ok 752
188: ok 753
188: ok 754
188: ok 755
188: ok 756
188: ok 757
188: ok 758
188: ok 759
188: ok 760
188: ok 761
188: ok 762
188: ok 763
188: ok 764
188: ok 765
188: ok 766
188: ok 767
188: ok 768
188: ok 769
188: ok 770
188: ok 771
188: ok 772
188: ok 773
188: ok 774
188: ok 775
188: ok 776
188: ok 777
188: ok 778
188: ok 779
188: ok 780
188: ok 781
188: ok 782
188: ok 783
188: ok 784
188: ok 785
188: ok 786
188: ok 787
188: ok 788
188: ok 789
188: ok 790
188: ok 791
188: ok 792
188: ok 793
188: ok 794
188: ok 795
188: ok 796
188: ok 797
188: ok 798
188: ok 799
188: ok 800
188: ok 801
188: ok 802
188: ok 803
188: ok 804
188: ok 805
188: ok 806
188: ok 807
188: ok 808
188: ok 809
188: ok 810
188: ok 811
188: ok 812
188: ok 813
188: ok 814
188: ok 815
188: ok 816
188: ok 817
188: ok 818
188: ok 819
188: ok 820
188: ok 821
188: ok 822
188: ok 823
188: ok 824
188: ok 825
188: ok 826
188: ok 827
188: ok 828
188: ok 829
188: ok 830
188: ok 831
188: ok 832
188: ok 833
188: ok 834
188: ok 835
188: ok 836
188: ok 837
188: ok 838
188: ok 839
188: ok 840
188: ok 841
188: ok 842
188: ok 843
188: ok 844
188: ok 845
188: ok 846
188: ok 847
188: ok 848
188: ok 849
188: ok 850
188: ok 851
188: ok 852
188: ok 853
188: ok 854
188: ok 855
188: ok 856
188: ok 857
188: ok 858
188: ok 859
188: ok 860
188: ok 861
188: ok 862
188: ok 863
188: ok 864
188: ok 865
188: ok 866
188: ok 867
188: ok 868
188: ok 869
188: ok 870
188: ok 871
188: ok 872
188: ok 873
188: ok 874
188: ok 875
188: ok 876
188: ok 877
188: ok 878
188: ok 879
188: ok 880
188: ok 881
188: ok 882
188: ok 883
188: ok 884
188: ok 885
188: ok 886
188: ok 887
188: ok 888
188: ok 889
188: ok 890
188: ok 891
188: ok 892
188: ok 893
188: ok 894
188: ok 895
188: ok 896
188: ok 897
188: ok 898
188: ok 899
188: ok 900
188: ok 901
188: ok 902
188: ok 903
188: ok 904
188: ok 905
188: ok 906
188: ok 907
188: ok 908
188: ok 909
188: ok 910
188: ok 911
188: ok 912
188: ok 913
188: ok 914
188: ok 915
188: ok 916
188: ok 917
188: ok 918
188: ok 919
188: ok 920
188: ok 921
188: ok 922
188: ok 923
188: ok 924
188: ok 925
188: ok 926
188: ok 927
188: ok 928
188: ok 929
188: ok 930
188: ok 931
188: ok 932
188: ok 933
188: ok 934
188: ok 935
188: ok 936
188: ok 937
188: ok 938
188: ok 939
188: ok 940
188: ok 941
188: ok 942
188: ok 943
188: ok 944
188: ok 945
188: ok 946
188: ok 947
188: ok 948
188: ok 949
188: ok 950
188: ok 951
188: ok 952
188: ok 953
188: ok 954
188: ok 955
188: ok 956
188: ok 957
188: ok 958
188: ok 959
188: ok 960
188: ok 961
188: ok 962
188: ok 963
188: ok 964
188: ok 965
188: ok 966
188: ok 967
188: ok 968
188: ok 969
188: ok 970
188: ok 971
188: ok 972
188: ok 973
188: ok 974
188: ok 975
188: ok 976
188: ok 977
188: ok 978
188: ok 979
188: ok 980
188: ok 981
188: ok 982
188: ok 983
188: ok 984
188: ok 985
188: ok 986
188: ok 987
188: ok 988
188: ok 989
188: ok 990
188: ok 991
188: ok 992
188: ok 993
188: ok 994
188: ok 995
188: ok 996
188: ok 997
188: ok 998
188: ok 999
188: ok 1000
188: ok 1001
188: ok 1002
188: ok 1003
188: ok 1004
188: ok 1005
188: ok 1006
188: ok 1007
188: ok 1008
188: ok 1009
188: ok 1010
188: ok 1011
188: ok 1012
188: ok 1013
188: ok 1014
188: ok 1015
188: ok 1016
188: ok 1017
188: ok 1018
188: ok 1019
188: ok 1020
188: ok 1021
188: ok 1022
188: ok 1023
188: ok 1024
188: ok 1025
188: ok 1026
188: ok 1027
188: ok 1028
188: ok 1029
188: ok 1030
188: ok 1031
188: ok 1032
188: ok 1033
188: ok 1034
188: ok 1035
188: ok 1036
188: ok 1037
188: ok 1038
188: ok 1039
188: ok 1040
188: ok 1041
188: ok 1042
188: ok 1043
188: ok 1044
188: ok 1045
188: ok 1046
188: ok 1047
188: ok 1048
188: ok 1049
188: ok 1050
188: ok 1051
188: ok 1052
188: ok 1053
188: ok 1054
188: ok 1055
188: ok 1056
188: ok 1057
188: ok 1058
188: ok 1059
188: ok 1060
188: ok 1061
188: ok 1062
188: ok 1063
188: ok 1064
188: ok 1065
188: ok 1066
188: ok 1067
188: ok 1068
188: ok 1069
188: ok 1070
188: ok 1071
188: ok 1072
188: ok 1073
188: ok 1074
188: ok 1075
188: ok 1076
188: ok 1077
188: ok 1078
188: ok 1079
188: ok 1080
188: ok 1081
188: ok 1082
188: ok 1083
188: ok 1084
188: ok 1085
188: ok 1086
188: ok 1087
188: ok 1088
188: ok 1089
188: ok 1090
188: ok 1091
188: ok 1092
188: ok 1093
188: ok 1094
188: ok 1095
188: ok 1096
188: ok 1097
188: ok 1098
188: ok 1099
188: ok 1100
188: ok 1101
188: ok 1102
188: ok 1103
188: ok 1104
188: ok 1105
188: ok 1106
188: ok 1107
188: ok 1108
188: ok 1109
188: ok 1110
188: ok 1111
188: ok 1112
188: ok 1113
188: ok 1114
188: ok 1115
188: ok 1116
188: ok 1117
188: ok 1118
188: ok 1119
188: ok 1120
188: ok 1121
188: ok 1122
188: ok 1123
188: ok 1124
188: ok 1125
188: ok 1126
188: ok 1127
188: ok 1128
188: ok 1129
188: ok 1130
188: ok 1131
188: ok 1132
188: ok 1133
188: ok 1134
188: ok 1135
188: ok 1136
188: ok 1137
188: ok 1138
188: ok 1139
188: ok 1140
188: ok 1141
188: ok 1142
188: ok 1143
188: ok 1144
188: ok 1145
188: ok 1146
188: ok 1147
188: ok 1148
188: ok 1149
188: ok 1150
188: ok 1151
188: ok 1152
188: ok 1153
188: ok 1154
188: ok 1155
188: ok 1156
188: ok 1157
188: ok 1158
188: ok 1159
188: ok 1160
188: ok 1161
188: ok 1162
188: ok 1163
188: ok 1164
188: ok 1165
188: ok 1166
188: ok 1167
188: ok 1168
188: ok 1169
188: ok 1170
188: ok 1171
188: ok 1172
188: ok 1173
188: ok 1174
188: ok 1175
188: ok 1176
188: ok 1177
188: ok 1178
188: ok 1179
188: ok 1180
188: ok 1181
188: ok 1182
188: ok 1183
188: ok 1184
188: ok 1185
188: ok 1186
188: ok 1187
188: ok 1188
188: ok 1189
188: ok 1190
188: ok 1191
188: ok 1192
188: ok 1193
188: ok 1194
188: ok 1195
188: ok 1196
188: ok 1197
188: ok 1198
188: ok 1199
188: ok 1200
188: ok 1201
188: ok 1202
188: ok 1203
188: ok 1204
188: ok 1205
188: ok 1206
188: ok 1207
188: ok 1208
188: ok 1209
188: ok 1210
188: ok 1211
188: ok 1212
188: ok 1213
188: ok 1214
188: ok 1215
188: ok 1216
188: ok 1217
188: ok 1218
188: ok 1219
188: ok 1220
188: ok 1221
188: ok 1222
188: ok 1223
188: ok 1224
188: ok 1225
188: ok 1226
188: ok 1227
188: ok 1228
188: ok 1229
188: ok 1230
188: ok 1231
188: ok 1232
188: ok 1233
188: ok 1234
188: ok 1235
188: ok 1236
188: ok 1237
188: ok 1238
188: ok 1239
188: ok 1240
188: ok 1241
188: ok 1242
188: ok 1243
188: ok 1244
188: ok 1245
188: ok 1246
188: ok 1247
188: ok 1248
188: ok 1249
188: ok 1250
188: ok 1251
188: ok 1252
188: ok 1253
188: ok 1254
188: ok 1255
188: ok 1256
188: ok 1257
188: ok 1258
188: ok 1259
188: ok 1260
188: ok 1261
188: ok 1262
188: ok 1263
188: ok 1264
188: ok 1265
188: ok 1266
188: ok 1267
188: ok 1268
188: ok 1269
188: ok 1270
188: ok 1271
188: ok 1272
188: ok 1273
188: ok 1274
188: ok 1275
188: ok 1276
188: ok 1277
188: ok 1278
188: ok 1279
188: ok 1280
188: ok 1281
188: ok 1282
188: ok 1283
188: ok 1284
188: ok 1285
188: ok 1286
188: ok 1287
188: ok 1288
188: ok 1289
188: ok 1290
188: ok 1291
188: ok 1292
188: ok 1293
188: ok 1294
188: ok 1295
188: ok 1296
188: ok 1297
188: ok 1298
188: ok 1299
188: ok 1300
188: ok 1301
188: ok 1302
188: ok 1303
188: ok 1304
188: ok 1305
188: ok 1306
188: ok 1307
188: ok 1308
188: ok 1309
188: ok 1310
188: ok 1311
188: ok 1312
188: ok 1313
188: ok 1314
188: ok 1315
188: ok 1316
188: ok 1317
188: ok 1318
188: ok 1319
188: ok 1320
188: ok 1321
188: ok 1322
188: ok 1323
188: ok 1324
188: ok 1325
188: ok 1326
188: ok 1327
188: ok 1328
188: ok 1329
188: ok 1330
188: ok 1331
188: ok 1332
188: ok 1333
188: ok 1334
188: ok 1335
188: ok 1336
188: ok 1337
188: ok 1338
188: ok 1339
188: ok 1340
188: ok 1341
188: ok 1342
188: 1..1342
187/223 Test #184: test_formula_1 ...................   Passed    0.18 sec
188/223 Test #188: test_iterators_1 .................   Passed    0.12 sec
test 189
        Start 189: test_logp_psa_1

189: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "logp_psa" "1"
189: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
189: Environment variables: 
189:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
189:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
189: Test timeout computed to be: 1500
test 190
        Start 190: test_math_1

190: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "math" "1"
190: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
190: Environment variables: 
190:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
190:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
190: Test timeout computed to be: 1500
190: # math: repeating each test 1000 times
190: # Testing MMFF94 Force Field...
190: # math: entering testBasics_vector3
190: ok 1
190: ok 2
190: ok 3
190: ok 4
190: ok 5
190: ok 6
190: ok 7
190: ok 8
190: ok 9
190: ok 10
190: ok 11
190: ok 12
190: ok 13
190: ok 14
190: ok 15
190: ok 16
190: ok 17
190: ok 18
190: ok 19
190: ok 20
190: ok 21
190: ok 22
190: ok 23
190: ok 24
190: ok 25
190: ok 26
190: ok 27
190: ok 28
190: ok 29
190: ok 30
190: ok 31
190: ok 32
190: ok 33
190: ok 34
190: ok 35
190: ok 36
190: ok 37
190: ok 38
190: ok 39
190: ok 40
190: ok 41
190: ok 42
190: ok 43
190: ok 44
190: ok 45
190: ok 46
190: ok 47
190: ok 48
190: ok 49
190: ok 50
190: ok 51
190: ok 52
190: ok 53
190: ok 54
190: ok 55
190: ok 56
190: ok 57
190: ok 58
190: ok 59
190: ok 60
190: ok 61
190: ok 62
190: ok 63
190: ok 64
190: ok 65
190: ok 66
190: ok 67
190: ok 68
190: ok 69
190: ok 70
190: ok 71
190: ok 72
190: ok 73
190: ok 74
190: ok 75
190: ok 76
190: ok 77
190: ok 78
190: ok 79
190: ok 80
190: ok 81
190: ok 82
190: ok 83
190: ok 84
190: ok 85
190: ok 86
190: ok 87
190: ok 88
190: ok 89
190: ok 90
190: ok 91
190: ok 92
190: ok 93
190: ok 94
190: ok 95
190: ok 96
190: ok 97
190: ok 98
190: ok 99
190: ok 100
190: ok 101
190: ok 102
190: ok 103
190: ok 104
190: ok 105
190: ok 106
190: ok 107
190: ok 108
190: ok 109
190: ok 110
190: ok 111
190: ok 112
190: ok 113
190: ok 114
190: ok 115
190: ok 116
190: ok 117
190: ok 118
190: ok 119
190: ok 120
190: ok 121
190: ok 122
190: ok 123
190: ok 124
190: ok 125
190: ok 126
190: ok 127
190: ok 128
190: ok 129
190: ok 130
190: ok 131
190: ok 132
190: ok 133
190: ok 134
190: ok 135
190: ok 136
190: ok 137
190: ok 138
190: ok 139
190: ok 140
190: ok 141
190: ok 142
190: ok 143
190: ok 144
190: ok 145
190: ok 146
190: ok 147
190: ok 148
190: ok 149
190: ok 150
190: ok 151
190: ok 152
190: ok 153
190: ok 154
190: ok 155
190: ok 156
190: ok 157
190: ok 158
190: ok 159
190: ok 160
190: ok 161
190: ok 162
190: ok 163
190: ok 164
190: ok 165
190: ok 166
190: ok 167
190: ok 168
190: ok 169
190: ok 170
190: ok 171
190: ok 172
190: ok 173
190: ok 174
190: ok 175
190: ok 176
190: ok 177
190: ok 178
190: ok 179
190: ok 180
190: ok 181
190: ok 182
190: ok 183
190: ok 184
190: ok 185
190: ok 186
190: ok 187
190: ok 188
190: ok 189
190: ok 190
190: ok 191
190: ok 192
190: ok 193
190: ok 194
190: ok 195
190: ok 196
190: ok 197
190: ok 198
190: ok 199
190: ok 200
190: ok 201
190: ok 202
190: ok 203
190: ok 204
190: ok 205
190: ok 206
190: ok 207
190: ok 208
190: ok 209
190: ok 210
190: ok 211
190: ok 212
190: ok 213
190: ok 214
190: ok 215
190: ok 216
190: ok 217
190: ok 218
190: ok 219
190: ok 220
190: ok 221
190: ok 222
190: ok 223
190: ok 224
190: ok 225
190: ok 226
190: ok 227
190: ok 228
190: ok 229
190: ok 230
190: ok 231
190: ok 232
190: ok 233
190: ok 234
190: ok 235
190: ok 236
190: ok 237
190: ok 238
190: ok 239
190: ok 240
190: ok 241
190: ok 242
190: ok 243
190: ok 244
190: ok 245
190: ok 246
190: ok 247
190: ok 248
190: ok 249
190: ok 250
190: ok 251
190: ok 252
190: ok 253
190: ok 254
190: ok 255
190: ok 256
190: ok 257
190: ok 258
190: ok 259
190: ok 260
190: ok 261
190: ok 262
190: ok 263
190: ok 264
190: ok 265
190: ok 266
190: ok 267
190: ok 268
190: ok 269
190: ok 270
190: ok 271
190: ok 272
190: ok 273
190: ok 274
190: ok 275
190: ok 276
190: ok 277
190: ok 278
190: ok 279
190: ok 280
190: ok 281
190: ok 282
190: ok 283
190: ok 284
190: ok 285
190: ok 286
190: ok 287
190: ok 288
190: ok 289
190: ok 290
190: ok 291
190: ok 292
190: ok 293
190: ok 294
190: ok 295
190: ok 296
190: ok 297
190: ok 298
190: ok 299
190: ok 300
190: ok 301
190: ok 302
190: ok 303
190: ok 304
190: ok 305
190: ok 306
190: ok 307
190: ok 308
190: ok 309
190: ok 310
190: ok 311
190: ok 312
190: ok 313
190: ok 314
190: ok 315
190: ok 316
190: ok 317
190: ok 318
190: ok 319
190: ok 320
190: ok 321
190: ok 322
190: ok 323
190: ok 324
190: ok 325
190: ok 326
190: ok 327
190: ok 328
190: ok 329
190: ok 330
190: ok 331
190: ok 332
190: ok 333
190: ok 334
190: ok 335
190: ok 336
190: ok 337
190: ok 338
190: ok 339
190: ok 340
190: ok 341
190: ok 342
190: ok 343
190: ok 344
190: ok 345
190: ok 346
190: ok 347
190: ok 348
190: ok 349
190: ok 350
190: ok 351
190: ok 352
190: ok 353
190: ok 354
190: ok 355
190: ok 356
190: ok 357
190: ok 358
190: ok 359
190: ok 360
190: ok 361
190: ok 362
190: ok 363
190: ok 364
190: ok 365
190: ok 366
190: ok 367
190: ok 368
190: ok 369
190: ok 370
190: ok 371
190: ok 372
190: ok 373
190: ok 374
190: ok 375
190: ok 376
190: ok 377
190: ok 378
190: ok 379
190: ok 380
190: ok 381
190: ok 382
190: ok 383
190: ok 384
190: ok 385
190: ok 386
190: ok 387
190: ok 388
190: ok 389
190: ok 390
190: ok 391
190: ok 392
190: ok 393
190: ok 394
190: ok 395
190: ok 396
190: ok 397
190: ok 398
190: ok 399
190: ok 400
190: ok 401
190: ok 402
190: ok 403
190: ok 404
190: ok 405
190: ok 406
190: ok 407
190: ok 408
190: ok 409
190: ok 410
190: ok 411
190: ok 412
190: ok 413
190: ok 414
190: ok 415
190: ok 416
190: ok 417
190: ok 418
190: ok 419
190: ok 420
190: ok 421
190: ok 422
190: ok 423
190: ok 424
190: ok 425
190: ok 426
190: ok 427
190: ok 428
190: ok 429
190: ok 430
190: ok 431
190: ok 432
190: ok 433
190: ok 434
190: ok 435
190: ok 436
190: ok 437
190: ok 438
190: ok 439
190: ok 440
190: ok 441
190: ok 442
190: ok 443
190: ok 444
190: ok 445
190: ok 446
190: ok 447
190: ok 448
190: ok 449
190: ok 450
190: ok 451
190: ok 452
190: ok 453
190: ok 454
190: ok 455
190: ok 456
190: ok 457
190: ok 458
190: ok 459
190: ok 460
190: ok 461
190: ok 462
190: ok 463
190: ok 464
190: ok 465
190: ok 466
190: ok 467
190: ok 468
190: ok 469
190: ok 470
190: ok 471
190: ok 472
190: ok 473
190: ok 474
190: ok 475
190: ok 476
190: ok 477
190: ok 478
190: ok 479
190: ok 480
190: ok 481
190: ok 482
190: ok 483
190: ok 484
190: ok 485
190: ok 486
190: ok 487
190: ok 488
190: ok 489
190: ok 490
190: ok 491
190: ok 492
190: ok 493
190: ok 494
190: ok 495
190: ok 496
190: ok 497
190: ok 498
190: ok 499
190: ok 500
190: ok 501
190: ok 502
190: ok 503
190: ok 504
190: ok 505
190: ok 506
190: ok 507
190: ok 508
190: ok 509
190: ok 510
190: ok 511
190: ok 512
190: ok 513
190: ok 514
190: ok 515
190: ok 516
190: ok 517
190: ok 518
190: ok 519
190: ok 520
190: ok 521
190: ok 522
190: ok 523
190: ok 524
190: ok 525
190: ok 526
190: ok 527
190: ok 528
190: ok 529
190: ok 530
190: ok 531
190: ok 532
190: ok 533
190: ok 534
190: ok 535
190: ok 536
190: ok 537
190: ok 538
190: ok 539
190: ok 540
190: ok 541
190: ok 542
190: ok 543
190: ok 544
190: ok 545
190: ok 546
190: ok 547
190: ok 548
190: ok 549
190: ok 550
190: ok 551
190: ok 552
190: ok 553
190: ok 554
190: ok 555
190: ok 556
190: ok 557
190: ok 558
190: ok 559
190: ok 560
190: ok 561
190: ok 562
190: ok 563
190: ok 564
190: ok 565
190: ok 566
190: ok 567
190: ok 568
190: ok 569
190: ok 570
190: ok 571
190: ok 572
190: ok 573
190: ok 574
190: ok 575
190: ok 576
190: ok 577
190: ok 578
190: ok 579
190: ok 580
190: ok 581
190: ok 582
190: ok 583
190: ok 584
190: ok 585
190: ok 586
190: ok 587
190: ok 588
190: ok 589
190: ok 590
190: ok 591
190: ok 592
190: ok 593
190: ok 594
190: ok 595
190: ok 596
190: ok 597
190: ok 598
190: ok 599
190: ok 600
190: ok 601
190: ok 602
190: ok 603
190: ok 604
190: ok 605
190: ok 606
190: ok 607
190: ok 608
190: ok 609
190: ok 610
190: ok 611
190: ok 612
190: ok 613
190: ok 614
190: ok 615
190: ok 616
190: ok 617
190: ok 618
190: ok 619
190: ok 620
190: ok 621
190: ok 622
190: ok 623
190: ok 624
190: ok 625
190: ok 626
190: ok 627
190: ok 628
190: ok 629
190: ok 630
190: ok 631
190: ok 632
190: ok 633
190: ok 634
190: ok 635
190: ok 636
190: ok 637
190: ok 638
190: ok 639
190: ok 640
190: ok 641
190: ok 642
190: ok 643
190: ok 644
190: ok 645
190: ok 646
190: ok 647
190: ok 648
190: ok 649
190: ok 650
190: ok 651
190: ok 652
190: ok 653
190: ok 654
190: ok 655
190: ok 656
190: ok 657
190: ok 658
190: ok 659
190: ok 660
190: ok 661
190: ok 662
190: ok 663
190: ok 664
190: ok 665
190: ok 666
190: ok 667
190: ok 668
190: ok 669
190: ok 670
190: ok 671
190: ok 672
190: ok 673
190: ok 674
190: ok 675
190: ok 676
190: ok 677
190: ok 678
190: ok 679
190: ok 680
190: ok 681
190: ok 682
190: ok 683
190: ok 684
190: ok 685
190: ok 686
190: ok 687
190: ok 688
190: ok 689
190: ok 690
190: ok 691
190: ok 692
190: ok 693
190: ok 694
190: ok 695
190: ok 696
190: ok 697
190: ok 698
190: ok 699
190: ok 700
190: ok 701
190: ok 702
190: ok 703
190: ok 704
190: ok 705
190: ok 706
190: ok 707
190: ok 708
190: ok 709
190: ok 710
190: ok 711
190: ok 712
190: ok 713
190: ok 714
190: ok 715
190: ok 716
190: ok 717
190: ok 718
190: ok 719
190: ok 720
190: ok 721
190: ok 722
190: ok 723
190: ok 724
190: ok 725
190: ok 726
190: ok 727
190: ok 728
190: ok 729
190: ok 730
190: ok 731
190: ok 732
190: ok 733
190: ok 734
190: ok 735
190: ok 736
190: ok 737
190: ok 738
190: ok 739
190: ok 740
190: ok 741
190: ok 742
190: ok 743
190: ok 744
190: ok 745
190: ok 746
190: ok 747
190: ok 748
190: ok 749
190: ok 750
190: ok 751
190: ok 752
190: ok 753
190: ok 754
190: ok 755
190: ok 756
190: ok 757
190: ok 758
190: ok 759
190: ok 760
190: ok 761
190: ok 762
190: ok 763
190: ok 764
190: ok 765
190: ok 766
190: ok 767
190: ok 768
190: ok 769
190: ok 770
190: ok 771
190: ok 772
190: ok 773
190: ok 774
190: ok 775
190: ok 776
190: ok 777
190: ok 778
190: ok 779
190: ok 780
190: ok 781
190: ok 782
190: ok 783
190: ok 784
190: ok 785
190: ok 786
190: ok 787
190: ok 788
190: ok 789
190: ok 790
190: ok 791
190: ok 792
190: ok 793
190: ok 794
190: ok 795
190: ok 796
190: ok 797
190: ok 798
190: ok 799
190: ok 800
190: ok 801
190: ok 802
190: ok 803
190: ok 804
190: ok 805
190: ok 806
190: ok 807
190: ok 808
190: ok 809
190: ok 810
190: ok 811
190: ok 812
190: ok 813
190: ok 814
190: ok 815
190: ok 816
190: ok 817
190: ok 818
190: ok 819
190: ok 820
190: ok 821
190: ok 822
190: ok 823
190: ok 824
190: ok 825
190: ok 826
190: ok 827
190: ok 828
190: ok 829
190: ok 830
190: ok 831
190: ok 832
190: ok 833
190: ok 834
190: ok 835
190: ok 836
190: ok 837
190: ok 838
190: ok 839
190: ok 840
190: ok 841
190: ok 842
190: ok 843
190: ok 844
190: ok 845
190: ok 846
190: ok 847
190: ok 848
190: ok 849
190: ok 850
190: ok 851
190: ok 852
190: ok 853
190: ok 854
190: ok 855
190: ok 856
190: ok 857
190: ok 858
190: ok 859
190: ok 860
190: ok 861
190: ok 862
190: ok 863
190: ok 864
190: ok 865
190: ok 866
190: ok 867
190: ok 868
190: ok 869
190: ok 870
190: ok 871
190: ok 872
190: ok 873
190: ok 874
190: ok 875
190: ok 876
190: ok 877
190: ok 878
190: ok 879
190: ok 880
190: ok 881
190: ok 882
190: ok 883
190: ok 884
190: ok 885
190: ok 886
190: ok 887
190: ok 888
190: ok 889
190: ok 890
190: ok 891
190: ok 892
190: ok 893
190: ok 894
190: ok 895
190: ok 896
190: ok 897
190: ok 898
190: ok 899
190: ok 900
190: ok 901
190: ok 902
190: ok 903
190: ok 904
190: ok 905
190: ok 906
190: ok 907
190: ok 908
190: ok 909
190: ok 910
190: ok 911
190: ok 912
190: ok 913
190: ok 914
190: ok 915
190: ok 916
190: ok 917
190: ok 918
190: ok 919
190: ok 920
190: ok 921
190: ok 922
190: ok 923
190: ok 924
190: ok 925
190: ok 926
190: ok 927
190: ok 928
190: ok 929
190: ok 930
190: ok 931
190: ok 932
190: ok 933
190: ok 934
190: ok 935
190: ok 936
190: ok 937
190: ok 938
190: ok 939
190: ok 940
190: ok 941
190: ok 942
190: ok 943
190: ok 944
190: ok 945
190: ok 946
190: ok 947
190: ok 948
190: ok 949
190: ok 950
190: ok 951
190: ok 952
190: ok 953
190: ok 954
190: ok 955
190: ok 956
190: ok 957
190: ok 958
190: ok 959
190: ok 960
190: ok 961
190: ok 962
190: ok 963
190: ok 964
190: ok 965
190: ok 966
190: ok 967
190: ok 968
190: ok 969
190: ok 970
190: ok 971
190: ok 972
190: ok 973
190: ok 974
190: ok 975
190: ok 976
190: ok 977
190: ok 978
190: ok 979
190: ok 980
190: ok 981
190: ok 982
190: ok 983
190: ok 984
190: ok 985
190: ok 986
190: ok 987
190: ok 988
190: ok 989
190: ok 990
190: ok 991
190: ok 992
190: ok 993
190: ok 994
190: ok 995
190: ok 996
190: ok 997
190: ok 998
190: ok 999
190: ok 1000
190: ok 1001
190: ok 1002
190: ok 1003
190: ok 1004
190: ok 1005
190: ok 1006
190: ok 1007
190: ok 1008
190: ok 1009
190: ok 1010
190: ok 1011
190: ok 1012
190: ok 1013
190: ok 1014
190: ok 1015
190: ok 1016
190: ok 1017
190: ok 1018
190: ok 1019
190: ok 1020
190: ok 1021
190: ok 1022
190: ok 1023
190: ok 1024
190: ok 1025
190: ok 1026
190: ok 1027
190: ok 1028
190: ok 1029
190: ok 1030
190: ok 1031
190: ok 1032
190: ok 1033
190: ok 1034
190: ok 1035
190: ok 1036
190: ok 1037
190: ok 1038
190: ok 1039
190: ok 1040
190: ok 1041
190: ok 1042
190: ok 1043
190: ok 1044
190: ok 1045
190: ok 1046
190: ok 1047
190: ok 1048
190: ok 1049
190: ok 1050
190: ok 1051
190: ok 1052
190: ok 1053
190: ok 1054
190: ok 1055
190: ok 1056
190: ok 1057
190: ok 1058
190: ok 1059
190: ok 1060
190: ok 1061
190: ok 1062
190: ok 1063
190: ok 1064
190: ok 1065
190: ok 1066
190: ok 1067
190: ok 1068
190: ok 1069
190: ok 1070
190: ok 1071
190: ok 1072
190: ok 1073
190: ok 1074
190: ok 1075
190: ok 1076
190: ok 1077
190: ok 1078
190: ok 1079
190: ok 1080
190: ok 1081
190: ok 1082
190: ok 1083
190: ok 1084
190: ok 1085
190: ok 1086
190: ok 1087
190: ok 1088
190: ok 1089
190: ok 1090
190: ok 1091
190: ok 1092
190: ok 1093
190: ok 1094
190: ok 1095
190: ok 1096
190: ok 1097
190: ok 1098
190: ok 1099
190: ok 1100
190: ok 1101
190: ok 1102
190: ok 1103
190: ok 1104
190: ok 1105
190: ok 1106
190: ok 1107
190: ok 1108
190: ok 1109
190: ok 1110
190: ok 1111
190: ok 1112
190: ok 1113
190: ok 1114
190: ok 1115
190: ok 1116
190: ok 1117
190: ok 1118
190: ok 1119
190: ok 1120
190: ok 1121
190: ok 1122
190: ok 1123
190: ok 1124
190: ok 1125
190: ok 1126
190: ok 1127
190: ok 1128
190: ok 1129
190: ok 1130
190: ok 1131
190: ok 1132
190: ok 1133
190: ok 1134
190: ok 1135
190: ok 1136
190: ok 1137
190: ok 1138
190: ok 1139
190: ok 1140
190: ok 1141
190: ok 1142
190: ok 1143
190: ok 1144
190: ok 1145
190: ok 1146
190: ok 1147
190: ok 1148
190: ok 1149
190: ok 1150
190: ok 1151
190: ok 1152
190: ok 1153
190: ok 1154
190: ok 1155
190: ok 1156
190: ok 1157
190: ok 1158
190: ok 1159
190: ok 1160
190: ok 1161
190: ok 1162
190: ok 1163
190: ok 1164
190: ok 1165
190: ok 1166
190: ok 1167
190: ok 1168
190: ok 1169
190: ok 1170
190: ok 1171
190: ok 1172
190: ok 1173
190: ok 1174
190: ok 1175
190: ok 1176
190: ok 1177
190: ok 1178
190: ok 1179
190: ok 1180
190: ok 1181
190: ok 1182
190: ok 1183
190: ok 1184
190: ok 1185
190: ok 1186
190: ok 1187
190: ok 1188
190: ok 1189
190: ok 1190
190: ok 1191
190: ok 1192
190: ok 1193
190: ok 1194
190: ok 1195
190: ok 1196
190: ok 1197
190: ok 1198
190: ok 1199
190: ok 1200
190: ok 1201
190: ok 1202
190: ok 1203
190: ok 1204
190: ok 1205
190: ok 1206
190: ok 1207
190: ok 1208
190: ok 1209
190: ok 1210
190: ok 1211
190: ok 1212
190: ok 1213
190: ok 1214
190: ok 1215
190: ok 1216
190: ok 1217
190: ok 1218
190: ok 1219
190: ok 1220
190: ok 1221
190: ok 1222
190: ok 1223
190: ok 1224
190: ok 1225
190: ok 1226
190: ok 1227
190: ok 1228
190: ok 1229
190: ok 1230
190: ok 1231
190: ok 1232
190: ok 1233
190: ok 1234
190: ok 1235
190: ok 1236
190: ok 1237
190: ok 1238
190: ok 1239
190: ok 1240
190: ok 1241
190: ok 1242
190: ok 1243
190: ok 1244
190: ok 1245
190: ok 1246
190: ok 1247
190: ok 1248
190: ok 1249
190: ok 1250
190: ok 1251
190: ok 1252
190: ok 1253
190: ok 1254
190: ok 1255
190: ok 1256
190: ok 1257
190: ok 1258
190: ok 1259
190: ok 1260
190: ok 1261
190: ok 1262
190: ok 1263
190: ok 1264
190: ok 1265
190: ok 1266
190: ok 1267
190: ok 1268
190: ok 1269
190: ok 1270
190: ok 1271
190: ok 1272
190: ok 1273
190: ok 1274
190: ok 1275
190: ok 1276
190: ok 1277
190: ok 1278
190: ok 1279
190: ok 1280
190: ok 1281
190: ok 1282
190: ok 1283
190: ok 1284
190: ok 1285
190: ok 1286
190: ok 1287
190: ok 1288
190: ok 1289
190: ok 1290
190: ok 1291
190: ok 1292
190: ok 1293
190: ok 1294
190: ok 1295
190: ok 1296
190: ok 1297
190: ok 1298
190: ok 1299
190: ok 1300
190: ok 1301
190: ok 1302
190: ok 1303
190: ok 1304
190: ok 1305
190: ok 1306
190: ok 1307
190: ok 1308
190: ok 1309
190: ok 1310
190: ok 1311
190: ok 1312
190: ok 1313
190: ok 1314
190: ok 1315
190: ok 1316
190: ok 1317
190: ok 1318
190: ok 1319
190: ok 1320
190: ok 1321
190: ok 1322
190: ok 1323
190: ok 1324
190: ok 1325
190: ok 1326
190: ok 1327
190: ok 1328
190: ok 1329
190: ok 1330
190: ok 1331
190: ok 1332
190: ok 1333
190: ok 1334
190: ok 1335
190: ok 1336
190: ok 1337
190: ok 1338
190: ok 1339
190: ok 1340
190: ok 1341
190: ok 1342
190: ok 1343
190: ok 1344
190: ok 1345
190: ok 1346
190: ok 1347
190: ok 1348
190: ok 1349
190: ok 1350
190: ok 1351
190: ok 1352
190: ok 1353
190: ok 1354
190: ok 1355
190: ok 1356
190: ok 1357
190: ok 1358
190: ok 1359
190: ok 1360
190: ok 1361
190: ok 1362
190: ok 1363
190: ok 1364
190: ok 1365
190: ok 1366
190: ok 1367
190: ok 1368
190: ok 1369
190: ok 1370
190: ok 1371
190: ok 1372
190: ok 1373
190: ok 1374
190: ok 1375
190: ok 1376
190: ok 1377
190: ok 1378
190: ok 1379
190: ok 1380
190: ok 1381
190: ok 1382
190: ok 1383
190: ok 1384
190: ok 1385
190: ok 1386
190: ok 1387
190: ok 1388
190: ok 1389
190: ok 1390
190: ok 1391
190: ok 1392
190: ok 1393
190: ok 1394
190: ok 1395
190: ok 1396
190: ok 1397
190: ok 1398
190: ok 1399
190: ok 1400
190: ok 1401
190: ok 1402
190: ok 1403
190: ok 1404
190: ok 1405
190: ok 1406
190: ok 1407
190: ok 1408
190: ok 1409
190: ok 1410
190: ok 1411
190: ok 1412
190: ok 1413
190: ok 1414
190: ok 1415
190: ok 1416
190: ok 1417
190: ok 1418
190: ok 1419
190: ok 1420
190: ok 1421
190: ok 1422
190: ok 1423
190: ok 1424
190: ok 1425
190: ok 1426
190: ok 1427
190: ok 1428
190: ok 1429
190: ok 1430
190: ok 1431
190: ok 1432
190: ok 1433
190: ok 1434
190: ok 1435
190: ok 1436
190: ok 1437
190: ok 1438
190: ok 1439
190: ok 1440
190: ok 1441
190: ok 1442
190: ok 1443
190: ok 1444
190: ok 1445
190: ok 1446
190: ok 1447
190: ok 1448
190: ok 1449
190: ok 1450
190: ok 1451
190: ok 1452
190: ok 1453
190: ok 1454
190: ok 1455
190: ok 1456
190: ok 1457
190: ok 1458
190: ok 1459
190: ok 1460
190: ok 1461
190: ok 1462
190: ok 1463
190: ok 1464
190: ok 1465
190: ok 1466
190: ok 1467
190: ok 1468
190: ok 1469
190: ok 1470
190: ok 1471
190: ok 1472
190: ok 1473
190: ok 1474
190: ok 1475
190: ok 1476
190: ok 1477
190: ok 1478
190: ok 1479
190: ok 1480
190: ok 1481
190: ok 1482
190: ok 1483
190: ok 1484
190: ok 1485
190: ok 1486
190: ok 1487
190: ok 1488
190: ok 1489
190: ok 1490
190: ok 1491
190: ok 1492
190: ok 1493
190: ok 1494
190: ok 1495
190: ok 1496
190: ok 1497
190: ok 1498
190: ok 1499
190: ok 1500
190: ok 1501
190: ok 1502
190: ok 1503
190: ok 1504
190: ok 1505
190: ok 1506
190: ok 1507
190: ok 1508
190: ok 1509
190: ok 1510
190: ok 1511
190: ok 1512
190: ok 1513
190: ok 1514
190: ok 1515
190: ok 1516
190: ok 1517
190: ok 1518
190: ok 1519
190: ok 1520
190: ok 1521
190: ok 1522
190: ok 1523
190: ok 1524
190: ok 1525
190: ok 1526
190: ok 1527
190: ok 1528
190: ok 1529
190: ok 1530
190: ok 1531
190: ok 1532
190: ok 1533
190: ok 1534
190: ok 1535
190: ok 1536
190: ok 1537
190: ok 1538
190: ok 1539
190: ok 1540
190: ok 1541
190: ok 1542
190: ok 1543
190: ok 1544
190: ok 1545
190: ok 1546
190: ok 1547
190: ok 1548
190: ok 1549
190: ok 1550
190: ok 1551
190: ok 1552
190: ok 1553
190: ok 1554
190: ok 1555
190: ok 1556
190: ok 1557
190: ok 1558
190: ok 1559
190: ok 1560
190: ok 1561
190: ok 1562
190: ok 1563
190: ok 1564
190: ok 1565
190: ok 1566
190: ok 1567
190: ok 1568
190: ok 1569
190: ok 1570
190: ok 1571
190: ok 1572
190: ok 1573
190: ok 1574
190: ok 1575
190: ok 1576
190: ok 1577
190: ok 1578
190: ok 1579
190: ok 1580
190: ok 1581
190: ok 1582
190: ok 1583
190: ok 1584
190: ok 1585
190: ok 1586
190: ok 1587
190: ok 1588
190: ok 1589
190: ok 1590
190: ok 1591
190: ok 1592
190: ok 1593
190: ok 1594
190: ok 1595
190: ok 1596
190: ok 1597
190: ok 1598
190: ok 1599
190: ok 1600
190: ok 1601
190: ok 1602
190: ok 1603
190: ok 1604
190: ok 1605
190: ok 1606
190: ok 1607
190: ok 1608
190: ok 1609
190: ok 1610
190: ok 1611
190: ok 1612
190: ok 1613
190: ok 1614
190: ok 1615
190: ok 1616
190: ok 1617
190: ok 1618
190: ok 1619
190: ok 1620
190: ok 1621
190: ok 1622
190: ok 1623
190: ok 1624
190: ok 1625
190: ok 1626
190: ok 1627
190: ok 1628
190: ok 1629
190: ok 1630
190: ok 1631
190: ok 1632
190: ok 1633
190: ok 1634
190: ok 1635
190: ok 1636
190: ok 1637
190: ok 1638
190: ok 1639
190: ok 1640
190: ok 1641
190: ok 1642
190: ok 1643
190: ok 1644
190: ok 1645
190: ok 1646
190: ok 1647
190: ok 1648
190: ok 1649
190: ok 1650
190: ok 1651
190: ok 1652
190: ok 1653
190: ok 1654
190: ok 1655
190: ok 1656
190: ok 1657
190: ok 1658
190: ok 1659
190: ok 1660
190: ok 1661
190: ok 1662
190: ok 1663
190: ok 1664
190: ok 1665
190: ok 1666
190: ok 1667
190: ok 1668
190: ok 1669
190: ok 1670
190: ok 1671
190: ok 1672
190: ok 1673
190: ok 1674
190: ok 1675
190: ok 1676
190: ok 1677
190: ok 1678
190: ok 1679
190: ok 1680
190: ok 1681
190: ok 1682
190: ok 1683
190: ok 1684
190: ok 1685
190: ok 1686
190: ok 1687
190: ok 1688
190: ok 1689
190: ok 1690
190: ok 1691
190: ok 1692
190: ok 1693
190: ok 1694
190: ok 1695
190: ok 1696
190: ok 1697
190: ok 1698
190: ok 1699
190: ok 1700
190: ok 1701
190: ok 1702
190: ok 1703
190: ok 1704
190: ok 1705
190: ok 1706
190: ok 1707
190: ok 1708
190: ok 1709
190: ok 1710
190: ok 1711
190: ok 1712
190: ok 1713
190: ok 1714
190: ok 1715
190: ok 1716
190: ok 1717
190: ok 1718
190: ok 1719
190: ok 1720
190: ok 1721
190: ok 1722
190: ok 1723
190: ok 1724
190: ok 1725
190: ok 1726
190: ok 1727
190: ok 1728
190: ok 1729
190: ok 1730
190: ok 1731
190: ok 1732
190: ok 1733
190: ok 1734
190: ok 1735
190: ok 1736
190: ok 1737
190: ok 1738
190: ok 1739
190: ok 1740
190: ok 1741
190: ok 1742
190: ok 1743
190: ok 1744
190: ok 1745
190: ok 1746
190: ok 1747
190: ok 1748
190: ok 1749
190: ok 1750
190: ok 1751
190: ok 1752
190: ok 1753
190: ok 1754
190: ok 1755
190: ok 1756
190: ok 1757
190: ok 1758
190: ok 1759
190: ok 1760
190: ok 1761
190: ok 1762
190: ok 1763
190: ok 1764
190: ok 1765
190: ok 1766
190: ok 1767
190: ok 1768
190: ok 1769
190: ok 1770
190: ok 1771
190: ok 1772
190: ok 1773
190: ok 1774
190: ok 1775
190: ok 1776
190: ok 1777
190: ok 1778
190: ok 1779
190: ok 1780
190: ok 1781
190: ok 1782
190: ok 1783
190: ok 1784
190: ok 1785
190: ok 1786
190: ok 1787
190: ok 1788
190: ok 1789
190: ok 1790
190: ok 1791
190: ok 1792
190: ok 1793
190: ok 1794
190: ok 1795
190: ok 1796
190: ok 1797
190: ok 1798
190: ok 1799
190: ok 1800
190: ok 1801
190: ok 1802
190: ok 1803
190: ok 1804
190: ok 1805
190: ok 1806
190: ok 1807
190: ok 1808
190: ok 1809
190: ok 1810
190: ok 1811
190: ok 1812
190: ok 1813
190: ok 1814
190: ok 1815
190: ok 1816
190: ok 1817
190: ok 1818
190: ok 1819
190: ok 1820
190: ok 1821
190: ok 1822
190: ok 1823
190: ok 1824
190: ok 1825
190: ok 1826
190: ok 1827
190: ok 1828
190: ok 1829
190: ok 1830
190: ok 1831
190: ok 1832
190: ok 1833
190: ok 1834
190: ok 1835
190: ok 1836
190: ok 1837
190: ok 1838
190: ok 1839
190: ok 1840
190: ok 1841
190: ok 1842
190: ok 1843
190: ok 1844
190: ok 1845
190: ok 1846
190: ok 1847
190: ok 1848
190: ok 1849
190: ok 1850
190: ok 1851
190: ok 1852
190: ok 1853
190: ok 1854
190: ok 1855
190: ok 1856
190: ok 1857
190: ok 1858
190: ok 1859
190: ok 1860
190: ok 1861
190: ok 1862
190: ok 1863
190: ok 1864
190: ok 1865
190: ok 1866
190: ok 1867
190: ok 1868
190: ok 1869
190: ok 1870
190: ok 1871
190: ok 1872
190: ok 1873
190: ok 1874
190: ok 1875
190: ok 1876
190: ok 1877
190: ok 1878
190: ok 1879
190: ok 1880
190: ok 1881
190: ok 1882
190: ok 1883
190: ok 1884
190: ok 1885
190: ok 1886
190: ok 1887
190: ok 1888
190: ok 1889
190: ok 1890
190: ok 1891
190: ok 1892
190: ok 1893
190: ok 1894
190: ok 1895
190: ok 1896
190: ok 1897
190: ok 1898
190: ok 1899
190: ok 1900
190: ok 1901
190: ok 1902
190: ok 1903
190: ok 1904
190: ok 1905
190: ok 1906
190: ok 1907
190: ok 1908
190: ok 1909
190: ok 1910
190: ok 1911
190: ok 1912
190: ok 1913
190: ok 1914
190: ok 1915
190: ok 1916
190: ok 1917
190: ok 1918
190: ok 1919
190: ok 1920
190: ok 1921
190: ok 1922
190: ok 1923
190: ok 1924
190: ok 1925
190: ok 1926
190: ok 1927
190: ok 1928
190: ok 1929
190: ok 1930
190: ok 1931
190: ok 1932
190: ok 1933
190: ok 1934
190: ok 1935
190: ok 1936
190: ok 1937
190: ok 1938
190: ok 1939
190: ok 1940
190: ok 1941
190: ok 1942
190: ok 1943
190: ok 1944
190: ok 1945
190: ok 1946
190: ok 1947
190: ok 1948
190: ok 1949
190: ok 1950
190: ok 1951
190: ok 1952
190: ok 1953
190: ok 1954
190: ok 1955
190: ok 1956
190: ok 1957
190: ok 1958
190: ok 1959
190: ok 1960
190: ok 1961
190: ok 1962
190: ok 1963
190: ok 1964
190: ok 1965
190: ok 1966
190: ok 1967
190: ok 1968
190: ok 1969
190: ok 1970
190: ok 1971
190: ok 1972
190: ok 1973
190: ok 1974
190: ok 1975
190: ok 1976
190: ok 1977
190: ok 1978
190: ok 1979
190: ok 1980
190: ok 1981
190: ok 1982
190: ok 1983
190: ok 1984
190: ok 1985
190: ok 1986
190: ok 1987
190: ok 1988
190: ok 1989
190: ok 1990
190: ok 1991
190: ok 1992
190: ok 1993
190: ok 1994
190: ok 1995
190: ok 1996
190: ok 1997
190: ok 1998
190: ok 1999
190: ok 2000
190: ok 2001
190: ok 2002
190: ok 2003
190: ok 2004
190: ok 2005
190: ok 2006
190: ok 2007
190: ok 2008
190: ok 2009
190: ok 2010
190: ok 2011
190: ok 2012
190: ok 2013
190: ok 2014
190: ok 2015
190: ok 2016
190: ok 2017
190: ok 2018
190: ok 2019
190: ok 2020
190: ok 2021
190: ok 2022
190: ok 2023
190: ok 2024
190: ok 2025
190: ok 2026
190: ok 2027
190: ok 2028
190: ok 2029
190: ok 2030
190: ok 2031
190: ok 2032
190: ok 2033
190: ok 2034
190: ok 2035
190: ok 2036
190: ok 2037
190: ok 2038
190: ok 2039
190: ok 2040
190: ok 2041
190: ok 2042
190: ok 2043
190: ok 2044
190: ok 2045
190: ok 2046
190: ok 2047
190: ok 2048
190: ok 2049
190: ok 2050
190: ok 2051
190: ok 2052
190: ok 2053
190: ok 2054
190: ok 2055
190: ok 2056
190: ok 2057
190: ok 2058
190: ok 2059
190: ok 2060
190: ok 2061
190: ok 2062
190: ok 2063
190: ok 2064
190: ok 2065
190: ok 2066
190: ok 2067
190: ok 2068
190: ok 2069
190: ok 2070
190: ok 2071
190: ok 2072
190: ok 2073
190: ok 2074
190: ok 2075
190: ok 2076
190: ok 2077
190: ok 2078
190: ok 2079
190: ok 2080
190: ok 2081
190: ok 2082
190: ok 2083
190: ok 2084
190: ok 2085
190: ok 2086
190: ok 2087
190: ok 2088
190: ok 2089
190: ok 2090
190: ok 2091
190: ok 2092
190: ok 2093
190: ok 2094
190: ok 2095
190: ok 2096
190: ok 2097
190: ok 2098
190: ok 2099
190: ok 2100
190: ok 2101
190: ok 2102
190: ok 2103
190: ok 2104
190: ok 2105
190: ok 2106
190: ok 2107
190: ok 2108
190: ok 2109
190: ok 2110
190: ok 2111
190: ok 2112
190: ok 2113
190: ok 2114
190: ok 2115
190: ok 2116
190: ok 2117
190: ok 2118
190: ok 2119
190: ok 2120
190: ok 2121
190: ok 2122
190: ok 2123
190: ok 2124
190: ok 2125
190: ok 2126
190: ok 2127
190: ok 2128
190: ok 2129
190: ok 2130
190: ok 2131
190: ok 2132
190: ok 2133
190: ok 2134
190: ok 2135
190: ok 2136
190: ok 2137
190: ok 2138
190: ok 2139
190: ok 2140
190: ok 2141
190: ok 2142
190: ok 2143
190: ok 2144
190: ok 2145
190: ok 2146
190: ok 2147
190: ok 2148
190: ok 2149
190: ok 2150
190: ok 2151
190: ok 2152
190: ok 2153
190: ok 2154
190: ok 2155
190: ok 2156
190: ok 2157
190: ok 2158
190: ok 2159
190: ok 2160
190: ok 2161
190: ok 2162
190: ok 2163
190: ok 2164
190: ok 2165
190: ok 2166
190: ok 2167
190: ok 2168
190: ok 2169
190: ok 2170
190: ok 2171
190: ok 2172
190: ok 2173
190: ok 2174
190: ok 2175
190: ok 2176
190: ok 2177
190: ok 2178
190: ok 2179
190: ok 2180
190: ok 2181
190: ok 2182
190: ok 2183
190: ok 2184
190: ok 2185
190: ok 2186
190: ok 2187
190: ok 2188
190: ok 2189
190: ok 2190
190: ok 2191
190: ok 2192
190: ok 2193
190: ok 2194
190: ok 2195
190: ok 2196
190: ok 2197
190: ok 2198
190: ok 2199
190: ok 2200
190: ok 2201
190: ok 2202
190: ok 2203
190: ok 2204
190: ok 2205
190: ok 2206
190: ok 2207
190: ok 2208
190: ok 2209
190: ok 2210
190: ok 2211
190: ok 2212
190: ok 2213
190: ok 2214
190: ok 2215
190: ok 2216
190: ok 2217
190: ok 2218
190: ok 2219
190: ok 2220
190: ok 2221
190: ok 2222
190: ok 2223
190: ok 2224
190: ok 2225
190: ok 2226
190: ok 2227
190: ok 2228
190: ok 2229
190: ok 2230
190: ok 2231
190: ok 2232
190: ok 2233
190: ok 2234
190: ok 2235
190: ok 2236
190: ok 2237
190: ok 2238
190: ok 2239
190: ok 2240
190: ok 2241
190: ok 2242
190: ok 2243
190: ok 2244
190: ok 2245
190: ok 2246
190: ok 2247
190: ok 2248
190: ok 2249
190: ok 2250
190: ok 2251
190: ok 2252
190: ok 2253
190: ok 2254
190: ok 2255
190: ok 2256
190: ok 2257
190: ok 2258
190: ok 2259
190: ok 2260
190: ok 2261
190: ok 2262
190: ok 2263
190: ok 2264
190: ok 2265
190: ok 2266
190: ok 2267
190: ok 2268
190: ok 2269
190: ok 2270
190: ok 2271
190: ok 2272
190: ok 2273
190: ok 2274
190: ok 2275
190: ok 2276
190: ok 2277
190: ok 2278
190: ok 2279
190: ok 2280
190: ok 2281
190: ok 2282
190: ok 2283
190: ok 2284
190: ok 2285
190: ok 2286
190: ok 2287
190: ok 2288
190: ok 2289
190: ok 2290
190: ok 2291
190: ok 2292
190: ok 2293
190: ok 2294
190: ok 2295
190: ok 2296
190: ok 2297
190: ok 2298
190: ok 2299
190: ok 2300
190: ok 2301
190: ok 2302
190: ok 2303
190: ok 2304
190: ok 2305
190: ok 2306
190: ok 2307
190: ok 2308
190: ok 2309
190: ok 2310
190: ok 2311
190: ok 2312
190: ok 2313
190: ok 2314
190: ok 2315
190: ok 2316
190: ok 2317
190: ok 2318
190: ok 2319
190: ok 2320
190: ok 2321
190: ok 2322
190: ok 2323
190: ok 2324
190: ok 2325
190: ok 2326
190: ok 2327
190: ok 2328
190: ok 2329
190: ok 2330
190: ok 2331
190: ok 2332
190: ok 2333
190: ok 2334
190: ok 2335
190: ok 2336
190: ok 2337
190: ok 2338
190: ok 2339
190: ok 2340
190: ok 2341
190: ok 2342
190: ok 2343
190: ok 2344
190: ok 2345
190: ok 2346
190: ok 2347
190: ok 2348
190: ok 2349
190: ok 2350
190: ok 2351
190: ok 2352
190: ok 2353
190: ok 2354
190: ok 2355
190: ok 2356
190: ok 2357
190: ok 2358
190: ok 2359
190: ok 2360
190: ok 2361
190: ok 2362
190: ok 2363
190: ok 2364
190: ok 2365
190: ok 2366
190: ok 2367
190: ok 2368
190: ok 2369
190: ok 2370
190: ok 2371
190: ok 2372
190: ok 2373
190: ok 2374
190: ok 2375
190: ok 2376
190: ok 2377
190: ok 2378
190: ok 2379
190: ok 2380
190: ok 2381
190: ok 2382
190: ok 2383
190: ok 2384
190: ok 2385
190: ok 2386
190: ok 2387
190: ok 2388
190: ok 2389
190: ok 2390
190: ok 2391
190: ok 2392
190: ok 2393
190: ok 2394
190: ok 2395
190: ok 2396
190: ok 2397
190: ok 2398
190: ok 2399
190: ok 2400
190: ok 2401
190: ok 2402
190: ok 2403
190: ok 2404
190: ok 2405
190: ok 2406
190: ok 2407
190: ok 2408
190: ok 2409
190: ok 2410
190: ok 2411
190: ok 2412
190: ok 2413
190: ok 2414
190: ok 2415
190: ok 2416
190: ok 2417
190: ok 2418
190: ok 2419
190: ok 2420
190: ok 2421
190: ok 2422
190: ok 2423
190: ok 2424
190: ok 2425
190: ok 2426
190: ok 2427
190: ok 2428
190: ok 2429
190: ok 2430
190: ok 2431
190: ok 2432
190: ok 2433
190: ok 2434
190: ok 2435
190: ok 2436
190: ok 2437
190: ok 2438
190: ok 2439
190: ok 2440
190: ok 2441
190: ok 2442
190: ok 2443
190: ok 2444
190: ok 2445
190: ok 2446
190: ok 2447
190: ok 2448
190: ok 2449
190: ok 2450
190: ok 2451
190: ok 2452
190: ok 2453
190: ok 2454
190: ok 2455
190: ok 2456
190: ok 2457
190: ok 2458
190: ok 2459
190: ok 2460
190: ok 2461
190: ok 2462
190: ok 2463
190: ok 2464
190: ok 2465
190: ok 2466
190: ok 2467
190: ok 2468
190: ok 2469
190: ok 2470
190: ok 2471
190: ok 2472
190: ok 2473
190: ok 2474
190: ok 2475
190: ok 2476
190: ok 2477
190: ok 2478
190: ok 2479
190: ok 2480
190: ok 2481
190: ok 2482
190: ok 2483
190: ok 2484
190: ok 2485
190: ok 2486
190: ok 2487
190: ok 2488
190: ok 2489
190: ok 2490
190: ok 2491
190: ok 2492
190: ok 2493
190: ok 2494
190: ok 2495
190: ok 2496
190: ok 2497
190: ok 2498
190: ok 2499
190: ok 2500
190: ok 2501
190: ok 2502
190: ok 2503
190: ok 2504
190: ok 2505
190: ok 2506
190: ok 2507
190: ok 2508
190: ok 2509
190: ok 2510
190: ok 2511
190: ok 2512
190: ok 2513
190: ok 2514
190: ok 2515
190: ok 2516
190: ok 2517
190: ok 2518
190: ok 2519
190: ok 2520
190: ok 2521
190: ok 2522
190: ok 2523
190: ok 2524
190: ok 2525
190: ok 2526
190: ok 2527
190: ok 2528
190: ok 2529
190: ok 2530
190: ok 2531
190: ok 2532
190: ok 2533
190: ok 2534
190: ok 2535
190: ok 2536
190: ok 2537
190: ok 2538
190: ok 2539
190: ok 2540
190: ok 2541
190: ok 2542
190: ok 2543
190: ok 2544
190: ok 2545
190: ok 2546
190: ok 2547
190: ok 2548
190: ok 2549
190: ok 2550
190: ok 2551
190: ok 2552
190: ok 2553
190: ok 2554
190: ok 2555
190: ok 2556
190: ok 2557
190: ok 2558
190: ok 2559
190: ok 2560
190: ok 2561
190: ok 2562
190: ok 2563
190: ok 2564
190: ok 2565
190: ok 2566
190: ok 2567
190: ok 2568
190: ok 2569
190: ok 2570
190: ok 2571
190: ok 2572
190: ok 2573
190: ok 2574
190: ok 2575
190: ok 2576
190: ok 2577
190: ok 2578
190: ok 2579
190: ok 2580
190: ok 2581
190: ok 2582
190: ok 2583
190: ok 2584
190: ok 2585
190: ok 2586
190: ok 2587
190: ok 2588
190: ok 2589
190: ok 2590
190: ok 2591
190: ok 2592
190: ok 2593
190: ok 2594
190: ok 2595
190: ok 2596
190: ok 2597
190: ok 2598
190: ok 2599
190: ok 2600
190: ok 2601
190: ok 2602
190: ok 2603
190: ok 2604
190: ok 2605
190: ok 2606
190: ok 2607
190: ok 2608
190: ok 2609
190: ok 2610
190: ok 2611
190: ok 2612
190: ok 2613
190: ok 2614
190: ok 2615
190: ok 2616
190: ok 2617
190: ok 2618
190: ok 2619
190: ok 2620
190: ok 2621
190: ok 2622
190: ok 2623
190: ok 2624
190: ok 2625
190: ok 2626
190: ok 2627
190: ok 2628
190: ok 2629
190: ok 2630
190: ok 2631
190: ok 2632
190: ok 2633
190: ok 2634
190: ok 2635
190: ok 2636
190: ok 2637
190: ok 2638
190: ok 2639
190: ok 2640
190: ok 2641
190: ok 2642
190: ok 2643
190: ok 2644
190: ok 2645
190: ok 2646
190: ok 2647
190: ok 2648
190: ok 2649
190: ok 2650
190: ok 2651
190: ok 2652
190: ok 2653
190: ok 2654
190: ok 2655
190: ok 2656
190: ok 2657
190: ok 2658
190: ok 2659
190: ok 2660
190: ok 2661
190: ok 2662
190: ok 2663
190: ok 2664
190: ok 2665
190: ok 2666
190: ok 2667
190: ok 2668
190: ok 2669
190: ok 2670
190: ok 2671
190: ok 2672
190: ok 2673
190: ok 2674
190: ok 2675
190: ok 2676
190: ok 2677
190: ok 2678
190: ok 2679
190: ok 2680
190: ok 2681
190: ok 2682
190: ok 2683
190: ok 2684
190: ok 2685
190: ok 2686
190: ok 2687
190: ok 2688
190: ok 2689
190: ok 2690
190: ok 2691
190: ok 2692
190: ok 2693
190: ok 2694
190: ok 2695
190: ok 2696
190: ok 2697
190: ok 2698
190: ok 2699
190: ok 2700
190: ok 2701
190: ok 2702
190: ok 2703
190: ok 2704
190: ok 2705
190: ok 2706
190: ok 2707
190: ok 2708
190: ok 2709
190: ok 2710
190: ok 2711
190: ok 2712
190: ok 2713
190: ok 2714
190: ok 2715
190: ok 2716
190: ok 2717
190: ok 2718
190: ok 2719
190: ok 2720
190: ok 2721
190: ok 2722
190: ok 2723
190: ok 2724
190: ok 2725
190: ok 2726
190: ok 2727
190: ok 2728
190: ok 2729
190: ok 2730
190: ok 2731
190: ok 2732
190: ok 2733
190: ok 2734
190: ok 2735
190: ok 2736
190: ok 2737
190: ok 2738
190: ok 2739
190: ok 2740
190: ok 2741
190: ok 2742
190: ok 2743
190: ok 2744
190: ok 2745
190: ok 2746
190: ok 2747
190: ok 2748
190: ok 2749
190: ok 2750
190: ok 2751
190: ok 2752
190: ok 2753
190: ok 2754
190: ok 2755
190: ok 2756
190: ok 2757
190: ok 2758
190: ok 2759
190: ok 2760
190: ok 2761
190: ok 2762
190: ok 2763
190: ok 2764
190: ok 2765
190: ok 2766
190: ok 2767
190: ok 2768
190: ok 2769
190: ok 2770
190: ok 2771
190: ok 2772
190: ok 2773
190: ok 2774
190: ok 2775
190: ok 2776
190: ok 2777
190: ok 2778
190: ok 2779
190: ok 2780
190: ok 2781
190: ok 2782
190: ok 2783
190: ok 2784
190: ok 2785
190: ok 2786
190: ok 2787
190: ok 2788
190: ok 2789
190: ok 2790
190: ok 2791
190: ok 2792
190: ok 2793
190: ok 2794
190: ok 2795
190: ok 2796
190: ok 2797
190: ok 2798
190: ok 2799
190: ok 2800
190: ok 2801
190: ok 2802
190: ok 2803
190: ok 2804
190: ok 2805
190: ok 2806
190: ok 2807
190: ok 2808
190: ok 2809
190: ok 2810
190: ok 2811
190: ok 2812
190: ok 2813
190: ok 2814
190: ok 2815
190: ok 2816
190: ok 2817
190: ok 2818
190: ok 2819
190: ok 2820
190: ok 2821
190: ok 2822
190: ok 2823
190: ok 2824
190: ok 2825
190: ok 2826
190: ok 2827
190: ok 2828
190: ok 2829
190: ok 2830
190: ok 2831
190: ok 2832
190: ok 2833
190: ok 2834
190: ok 2835
190: ok 2836
190: ok 2837
190: ok 2838
190: ok 2839
190: ok 2840
190: ok 2841
190: ok 2842
190: ok 2843
190: ok 2844
190: ok 2845
190: ok 2846
190: ok 2847
190: ok 2848
190: ok 2849
190: ok 2850
190: ok 2851
190: ok 2852
190: ok 2853
190: ok 2854
190: ok 2855
190: ok 2856
190: ok 2857
190: ok 2858
190: ok 2859
190: ok 2860
190: ok 2861
190: ok 2862
190: ok 2863
190: ok 2864
190: ok 2865
190: ok 2866
190: ok 2867
190: ok 2868
190: ok 2869
190: ok 2870
190: ok 2871
190: ok 2872
190: ok 2873
190: ok 2874
190: ok 2875
190: ok 2876
190: ok 2877
190: ok 2878
190: ok 2879
190: ok 2880
190: ok 2881
190: ok 2882
190: ok 2883
190: ok 2884
190: ok 2885
190: ok 2886
190: ok 2887
190: ok 2888
190: ok 2889
190: ok 2890
190: ok 2891
190: ok 2892
190: ok 2893
190: ok 2894
190: ok 2895
190: ok 2896
190: ok 2897
190: ok 2898
190: ok 2899
190: ok 2900
190: ok 2901
190: ok 2902
190: ok 2903
190: ok 2904
190: ok 2905
190: ok 2906
190: ok 2907
190: ok 2908
190: ok 2909
190: ok 2910
190: ok 2911
190: ok 2912
190: ok 2913
190: ok 2914
190: ok 2915
190: ok 2916
190: ok 2917
190: ok 2918
190: ok 2919
190: ok 2920
190: ok 2921
190: ok 2922
190: ok 2923
190: ok 2924
190: ok 2925
190: ok 2926
190: ok 2927
190: ok 2928
190: ok 2929
190: ok 2930
190: ok 2931
190: ok 2932
190: ok 2933
190: ok 2934
190: ok 2935
190: ok 2936
190: ok 2937
190: ok 2938
190: ok 2939
190: ok 2940
190: ok 2941
190: ok 2942
190: ok 2943
190: ok 2944
190: ok 2945
190: ok 2946
190: ok 2947
190: ok 2948
190: ok 2949
190: ok 2950
190: ok 2951
190: ok 2952
190: ok 2953
190: ok 2954
190: ok 2955
190: ok 2956
190: ok 2957
190: ok 2958
190: ok 2959
190: ok 2960
190: ok 2961
190: ok 2962
190: ok 2963
190: ok 2964
190: ok 2965
190: ok 2966
190: ok 2967
190: ok 2968
190: ok 2969
190: ok 2970
190: ok 2971
190: ok 2972
190: ok 2973
190: ok 2974
190: ok 2975
190: ok 2976
190: ok 2977
190: ok 2978
190: ok 2979
190: ok 2980
190: ok 2981
190: ok 2982
190: ok 2983
190: ok 2984
190: ok 2985
190: ok 2986
190: ok 2987
190: ok 2988
190: ok 2989
190: ok 2990
190: ok 2991
190: ok 2992
190: ok 2993
190: ok 2994
190: ok 2995
190: ok 2996
190: ok 2997
190: ok 2998
190: ok 2999
190: ok 3000
190: ok 3001
190: ok 3002
190: ok 3003
190: ok 3004
190: ok 3005
190: ok 3006
190: ok 3007
190: ok 3008
190: ok 3009
190: ok 3010
190: ok 3011
190: ok 3012
190: ok 3013
190: ok 3014
190: ok 3015
190: ok 3016
190: ok 3017
190: ok 3018
190: ok 3019
190: ok 3020
190: ok 3021
190: ok 3022
190: ok 3023
190: ok 3024
190: ok 3025
190: ok 3026
190: ok 3027
190: ok 3028
190: ok 3029
190: ok 3030
190: ok 3031
190: ok 3032
190: ok 3033
190: ok 3034
190: ok 3035
190: ok 3036
190: ok 3037
190: ok 3038
190: ok 3039
190: ok 3040
190: ok 3041
190: ok 3042
190: ok 3043
190: ok 3044
190: ok 3045
190: ok 3046
190: ok 3047
190: ok 3048
190: ok 3049
190: ok 3050
190: ok 3051
190: ok 3052
190: ok 3053
190: ok 3054
190: ok 3055
190: ok 3056
190: ok 3057
190: ok 3058
190: ok 3059
190: ok 3060
190: ok 3061
190: ok 3062
190: ok 3063
190: ok 3064
190: ok 3065
190: ok 3066
190: ok 3067
190: ok 3068
190: ok 3069
190: ok 3070
190: ok 3071
190: ok 3072
190: ok 3073
190: ok 3074
190: ok 3075
190: ok 3076
190: ok 3077
190: ok 3078
190: ok 3079
190: ok 3080
190: ok 3081
190: ok 3082
190: ok 3083
190: ok 3084
190: ok 3085
190: ok 3086
190: ok 3087
190: ok 3088
190: ok 3089
190: ok 3090
190: ok 3091
190: ok 3092
190: ok 3093
190: ok 3094
190: ok 3095
190: ok 3096
190: ok 3097
190: ok 3098
190: ok 3099
190: ok 3100
190: ok 3101
190: ok 3102
190: ok 3103
190: ok 3104
190: ok 3105
190: ok 3106
190: ok 3107
190: ok 3108
190: ok 3109
190: ok 3110
190: ok 3111
190: ok 3112
190: ok 3113
190: ok 3114
190: ok 3115
190: ok 3116
190: ok 3117
190: ok 3118
190: ok 3119
190: ok 3120
190: ok 3121
190: ok 3122
190: ok 3123
190: ok 3124
190: ok 3125
190: ok 3126
190: ok 3127
190: ok 3128
190: ok 3129
190: ok 3130
190: ok 3131
190: ok 3132
190: ok 3133
190: ok 3134
190: ok 3135
190: ok 3136
190: ok 3137
190: ok 3138
190: ok 3139
190: ok 3140
190: ok 3141
190: ok 3142
190: ok 3143
190: ok 3144
190: ok 3145
190: ok 3146
190: ok 3147
190: ok 3148
190: ok 3149
190: ok 3150
190: ok 3151
190: ok 3152
190: ok 3153
190: ok 3154
190: ok 3155
190: ok 3156
190: ok 3157
190: ok 3158
190: ok 3159
190: ok 3160
190: ok 3161
190: ok 3162
190: ok 3163
190: ok 3164
190: ok 3165
190: ok 3166
190: ok 3167
190: ok 3168
190: ok 3169
190: ok 3170
190: ok 3171
190: ok 3172
190: ok 3173
190: ok 3174
190: ok 3175
190: ok 3176
190: ok 3177
190: ok 3178
190: ok 3179
190: ok 3180
190: ok 3181
190: ok 3182
190: ok 3183
190: ok 3184
190: ok 3185
190: ok 3186
190: ok 3187
190: ok 3188
190: ok 3189
190: ok 3190
190: ok 3191
190: ok 3192
190: ok 3193
190: ok 3194
190: ok 3195
190: ok 3196
190: ok 3197
190: ok 3198
190: ok 3199
190: ok 3200
190: ok 3201
190: ok 3202
190: ok 3203
190: ok 3204
190: ok 3205
190: ok 3206
190: ok 3207
190: ok 3208
190: ok 3209
190: ok 3210
190: ok 3211
190: ok 3212
190: ok 3213
190: ok 3214
190: ok 3215
190: ok 3216
190: ok 3217
190: ok 3218
190: ok 3219
190: ok 3220
190: ok 3221
190: ok 3222
190: ok 3223
190: ok 3224
190: ok 3225
190: ok 3226
190: ok 3227
190: ok 3228
190: ok 3229
190: ok 3230
190: ok 3231
190: ok 3232
190: ok 3233
190: ok 3234
190: ok 3235
190: ok 3236
190: ok 3237
190: ok 3238
190: ok 3239
190: ok 3240
190: ok 3241
190: ok 3242
190: ok 3243
190: ok 3244
190: ok 3245
190: ok 3246
190: ok 3247
190: ok 3248
190: ok 3249
190: ok 3250
190: ok 3251
190: ok 3252
190: ok 3253
190: ok 3254
190: ok 3255
190: ok 3256
190: ok 3257
190: ok 3258
190: ok 3259
190: ok 3260
190: ok 3261
190: ok 3262
190: ok 3263
190: ok 3264
190: ok 3265
190: ok 3266
190: ok 3267
190: ok 3268
190: ok 3269
190: ok 3270
190: ok 3271
190: ok 3272
190: ok 3273
190: ok 3274
190: ok 3275
190: ok 3276
190: ok 3277
190: ok 3278
190: ok 3279
190: ok 3280
190: ok 3281
190: ok 3282
190: ok 3283
190: ok 3284
190: ok 3285
190: ok 3286
190: ok 3287
190: ok 3288
190: ok 3289
190: ok 3290
190: ok 3291
190: ok 3292
190: ok 3293
190: ok 3294
190: ok 3295
190: ok 3296
190: ok 3297
190: ok 3298
190: ok 3299
190: ok 3300
190: ok 3301
190: ok 3302
190: ok 3303
190: ok 3304
190: ok 3305
190: ok 3306
190: ok 3307
190: ok 3308
190: ok 3309
190: ok 3310
190: ok 3311
190: ok 3312
190: ok 3313
190: ok 3314
190: ok 3315
190: ok 3316
190: ok 3317
190: ok 3318
190: ok 3319
190: ok 3320
190: ok 3321
190: ok 3322
190: ok 3323
190: ok 3324
190: ok 3325
190: ok 3326
190: ok 3327
190: ok 3328
190: ok 3329
190: ok 3330
190: ok 3331
190: ok 3332
190: ok 3333
190: ok 3334
190: ok 3335
190: ok 3336
190: ok 3337
190: ok 3338
190: ok 3339
190: ok 3340
190: ok 3341
190: ok 3342
190: ok 3343
190: ok 3344
190: ok 3345
190: ok 3346
190: ok 3347
190: ok 3348
190: ok 3349
190: ok 3350
190: ok 3351
190: ok 3352
190: ok 3353
190: ok 3354
190: ok 3355
190: ok 3356
190: ok 3357
190: ok 3358
190: ok 3359
190: ok 3360
190: ok 3361
190: ok 3362
190: ok 3363
190: ok 3364
190: ok 3365
190: ok 3366
190: ok 3367
190: ok 3368
190: ok 3369
190: ok 3370
190: ok 3371
190: ok 3372
190: ok 3373
190: ok 3374
190: ok 3375
190: ok 3376
190: ok 3377
190: ok 3378
190: ok 3379
190: ok 3380
190: ok 3381
190: ok 3382
190: ok 3383
190: ok 3384
190: ok 3385
190: ok 3386
190: ok 3387
190: ok 3388
190: ok 3389
190: ok 3390
190: ok 3391
190: ok 3392
190: ok 3393
190: ok 3394
190: ok 3395
190: ok 3396
190: ok 3397
190: ok 3398
190: ok 3399
190: ok 3400
190: ok 3401
190: ok 3402
190: ok 3403
190: ok 3404
190: ok 3405
190: ok 3406
190: ok 3407
190: ok 3408
190: ok 3409
190: ok 3410
190: ok 3411
190: ok 3412
190: ok 3413
190: ok 3414
190: ok 3415
190: ok 3416
190: ok 3417
190: ok 3418
190: ok 3419
190: ok 3420
190: ok 3421
190: ok 3422
190: ok 3423
190: ok 3424
190: ok 3425
190: ok 3426
190: ok 3427
190: ok 3428
190: ok 3429
190: ok 3430
190: ok 3431
190: ok 3432
190: ok 3433
190: ok 3434
190: ok 3435
190: ok 3436
190: ok 3437
190: ok 3438
190: ok 3439
190: ok 3440
190: ok 3441
190: ok 3442
190: ok 3443
190: ok 3444
190: ok 3445
190: ok 3446
190: ok 3447
190: ok 3448
190: ok 3449
190: ok 3450
190: ok 3451
190: ok 3452
190: ok 3453
190: ok 3454
190: ok 3455
190: ok 3456
190: ok 3457
190: ok 3458
190: ok 3459
190: ok 3460
190: ok 3461
190: ok 3462
190: ok 3463
190: ok 3464
190: ok 3465
190: ok 3466
190: ok 3467
190: ok 3468
190: ok 3469
190: ok 3470
190: ok 3471
190: ok 3472
190: ok 3473
190: ok 3474
190: ok 3475
190: ok 3476
190: ok 3477
190: ok 3478
190: ok 3479
190: ok 3480
190: ok 3481
190: ok 3482
190: ok 3483
190: ok 3484
190: ok 3485
190: ok 3486
190: ok 3487
190: ok 3488
190: ok 3489
190: ok 3490
190: ok 3491
190: ok 3492
190: ok 3493
190: ok 3494
190: ok 3495
190: ok 3496
190: ok 3497
190: ok 3498
190: ok 3499
190: ok 3500
190: ok 3501
190: ok 3502
190: ok 3503
190: ok 3504
190: ok 3505
190: ok 3506
190: ok 3507
190: ok 3508
190: ok 3509
190: ok 3510
190: ok 3511
190: ok 3512
190: ok 3513
190: ok 3514
190: ok 3515
190: ok 3516
190: ok 3517
190: ok 3518
190: ok 3519
190: ok 3520
190: ok 3521
190: ok 3522
190: ok 3523
190: ok 3524
190: ok 3525
190: ok 3526
190: ok 3527
190: ok 3528
190: ok 3529
190: ok 3530
190: ok 3531
190: ok 3532
190: ok 3533
190: ok 3534
190: ok 3535
190: ok 3536
190: ok 3537
190: ok 3538
190: ok 3539
190: ok 3540
190: ok 3541
190: ok 3542
190: ok 3543
190: ok 3544
190: ok 3545
190: ok 3546
190: ok 3547
190: ok 3548
190: ok 3549
190: ok 3550
190: ok 3551
190: ok 3552
190: ok 3553
190: ok 3554
190: ok 3555
190: ok 3556
190: ok 3557
190: ok 3558
190: ok 3559
190: ok 3560
190: ok 3561
190: ok 3562
190: ok 3563
190: ok 3564
190: ok 3565
190: ok 3566
190: ok 3567
190: ok 3568
190: ok 3569
190: ok 3570
190: ok 3571
190: ok 3572
190: ok 3573
190: ok 3574
190: ok 3575
190: ok 3576
190: ok 3577
190: ok 3578
190: ok 3579
190: ok 3580
190: ok 3581
190: ok 3582
190: ok 3583
190: ok 3584
190: ok 3585
190: ok 3586
190: ok 3587
190: ok 3588
190: ok 3589
190: ok 3590
190: ok 3591
190: ok 3592
190: ok 3593
190: ok 3594
190: ok 3595
190: ok 3596
190: ok 3597
190: ok 3598
190: ok 3599
190: ok 3600
190: ok 3601
190: ok 3602
190: ok 3603
190: ok 3604
190: ok 3605
190: ok 3606
190: ok 3607
190: ok 3608
190: ok 3609
190: ok 3610
190: ok 3611
190: ok 3612
190: ok 3613
190: ok 3614
190: ok 3615
190: ok 3616
190: ok 3617
190: ok 3618
190: ok 3619
190: ok 3620
190: ok 3621
190: ok 3622
190: ok 3623
190: ok 3624
190: ok 3625
190: ok 3626
190: ok 3627
190: ok 3628
190: ok 3629
190: ok 3630
190: ok 3631
190: ok 3632
190: ok 3633
190: ok 3634
190: ok 3635
190: ok 3636
190: ok 3637
190: ok 3638
190: ok 3639
190: ok 3640
190: ok 3641
190: ok 3642
190: ok 3643
190: ok 3644
190: ok 3645
190: ok 3646
190: ok 3647
190: ok 3648
190: ok 3649
190: ok 3650
190: ok 3651
190: ok 3652
190: ok 3653
190: ok 3654
190: ok 3655
190: ok 3656
190: ok 3657
190: ok 3658
190: ok 3659
190: ok 3660
190: ok 3661
190: ok 3662
190: ok 3663
190: ok 3664
190: ok 3665
190: ok 3666
190: ok 3667
190: ok 3668
190: ok 3669
190: ok 3670
190: ok 3671
190: ok 3672
190: ok 3673
190: ok 3674
190: ok 3675
190: ok 3676
190: ok 3677
190: ok 3678
190: ok 3679
190: ok 3680
190: ok 3681
190: ok 3682
190: ok 3683
190: ok 3684
190: ok 3685
190: ok 3686
190: ok 3687
190: ok 3688
190: ok 3689
190: ok 3690
190: ok 3691
190: ok 3692
190: ok 3693
190: ok 3694
190: ok 3695
190: ok 3696
190: ok 3697
190: ok 3698
190: ok 3699
190: ok 3700
190: ok 3701
190: ok 3702
190: ok 3703
190: ok 3704
190: ok 3705
190: ok 3706
190: ok 3707
190: ok 3708
190: ok 3709
190: ok 3710
190: ok 3711
190: ok 3712
190: ok 3713
190: ok 3714
190: ok 3715
190: ok 3716
190: ok 3717
190: ok 3718
190: ok 3719
190: ok 3720
190: ok 3721
190: ok 3722
190: ok 3723
190: ok 3724
190: ok 3725
190: ok 3726
190: ok 3727
190: ok 3728
190: ok 3729
190: ok 3730
190: ok 3731
190: ok 3732
190: ok 3733
190: ok 3734
190: ok 3735
190: ok 3736
190: ok 3737
190: ok 3738
190: ok 3739
190: ok 3740
190: ok 3741
190: ok 3742
190: ok 3743
190: ok 3744
190: ok 3745
190: ok 3746
190: ok 3747
190: ok 3748
190: ok 3749
190: ok 3750
190: ok 3751
190: ok 3752
190: ok 3753
190: ok 3754
190: ok 3755
190: ok 3756
190: ok 3757
190: ok 3758
190: ok 3759
190: ok 3760
190: ok 3761
190: ok 3762
190: ok 3763
190: ok 3764
190: ok 3765
190: ok 3766
190: ok 3767
190: ok 3768
190: ok 3769
190: ok 3770
190: ok 3771
190: ok 3772
190: ok 3773
190: ok 3774
190: ok 3775
190: ok 3776
190: ok 3777
190: ok 3778
190: ok 3779
190: ok 3780
190: ok 3781
190: ok 3782
190: ok 3783
190: ok 3784
190: ok 3785
190: ok 3786
190: ok 3787
190: ok 3788
190: ok 3789
190: ok 3790
190: ok 3791
190: ok 3792
190: ok 3793
190: ok 3794
190: ok 3795
190: ok 3796
190: ok 3797
190: ok 3798
190: ok 3799
190: ok 3800
190: ok 3801
190: ok 3802
190: ok 3803
190: ok 3804
190: ok 3805
190: ok 3806
190: ok 3807
190: ok 3808
190: ok 3809
190: ok 3810
190: ok 3811
190: ok 3812
190: ok 3813
190: ok 3814
190: ok 3815
190: ok 3816
190: ok 3817
190: ok 3818
190: ok 3819
190: ok 3820
190: ok 3821
190: ok 3822
190: ok 3823
190: ok 3824
190: ok 3825
190: ok 3826
190: ok 3827
190: ok 3828
190: ok 3829
190: ok 3830
190: ok 3831
190: ok 3832
190: ok 3833
190: ok 3834
190: ok 3835
190: ok 3836
190: ok 3837
190: ok 3838
190: ok 3839
190: ok 3840
190: ok 3841
190: ok 3842
190: ok 3843
190: ok 3844
190: ok 3845
190: ok 3846
190: ok 3847
190: ok 3848
190: ok 3849
190: ok 3850
190: ok 3851
190: ok 3852
190: ok 3853
190: ok 3854
190: ok 3855
190: ok 3856
190: ok 3857
190: ok 3858
190: ok 3859
190: ok 3860
190: ok 3861
190: ok 3862
190: ok 3863
190: ok 3864
190: ok 3865
190: ok 3866
190: ok 3867
190: ok 3868
190: ok 3869
190: ok 3870
190: ok 3871
190: ok 3872
190: ok 3873
190: ok 3874
190: ok 3875
190: ok 3876
190: ok 3877
190: ok 3878
190: ok 3879
190: ok 3880
190: ok 3881
190: ok 3882
190: ok 3883
190: ok 3884
190: ok 3885
190: ok 3886
190: ok 3887
190: ok 3888
190: ok 3889
190: ok 3890
190: ok 3891
190: ok 3892
190: ok 3893
190: ok 3894
190: ok 3895
190: ok 3896
190: ok 3897
190: ok 3898
190: ok 3899
190: ok 3900
190: ok 3901
190: ok 3902
190: ok 3903
190: ok 3904
190: ok 3905
190: ok 3906
190: ok 3907
190: ok 3908
190: ok 3909
190: ok 3910
190: ok 3911
190: ok 3912
190: ok 3913
190: ok 3914
190: ok 3915
190: ok 3916
190: ok 3917
190: ok 3918
190: ok 3919
190: ok 3920
190: ok 3921
190: ok 3922
190: ok 3923
190: ok 3924
190: ok 3925
190: ok 3926
190: ok 3927
190: ok 3928
190: ok 3929
190: ok 3930
190: ok 3931
190: ok 3932
190: ok 3933
190: ok 3934
190: ok 3935
190: ok 3936
190: ok 3937
190: ok 3938
190: ok 3939
190: ok 3940
190: ok 3941
190: ok 3942
190: ok 3943
190: ok 3944
190: ok 3945
190: ok 3946
190: ok 3947
190: ok 3948
190: ok 3949
190: ok 3950
190: ok 3951
190: ok 3952
190: ok 3953
190: ok 3954
190: ok 3955
190: ok 3956
190: ok 3957
190: ok 3958
190: ok 3959
190: ok 3960
190: ok 3961
190: ok 3962
190: ok 3963
190: ok 3964
190: ok 3965
190: ok 3966
190: ok 3967
190: ok 3968
190: ok 3969
190: ok 3970
190: ok 3971
190: ok 3972
190: ok 3973
190: ok 3974
190: ok 3975
190: ok 3976
190: ok 3977
190: ok 3978
190: ok 3979
190: ok 3980
190: ok 3981
190: ok 3982
190: ok 3983
190: ok 3984
190: ok 3985
190: ok 3986
190: ok 3987
190: ok 3988
190: ok 3989
190: ok 3990
190: ok 3991
190: ok 3992
190: ok 3993
190: ok 3994
190: ok 3995
190: ok 3996
190: ok 3997
190: ok 3998
190: ok 3999
190: ok 4000
190: ok 4001
190: ok 4002
190: ok 4003
190: ok 4004
190: ok 4005
190: ok 4006
190: ok 4007
190: ok 4008
190: ok 4009
190: ok 4010
190: ok 4011
190: ok 4012
190: ok 4013
190: ok 4014
190: ok 4015
190: ok 4016
190: ok 4017
190: ok 4018
190: ok 4019
190: ok 4020
190: ok 4021
190: ok 4022
190: ok 4023
190: ok 4024
190: ok 4025
190: ok 4026
190: ok 4027
190: ok 4028
190: ok 4029
190: ok 4030
190: ok 4031
190: ok 4032
190: ok 4033
190: ok 4034
190: ok 4035
190: ok 4036
190: ok 4037
190: ok 4038
190: ok 4039
190: ok 4040
190: ok 4041
190: ok 4042
190: ok 4043
190: ok 4044
190: ok 4045
190: ok 4046
190: ok 4047
190: ok 4048
190: ok 4049
190: ok 4050
190: ok 4051
190: ok 4052
190: ok 4053
190: ok 4054
190: ok 4055
190: ok 4056
190: ok 4057
190: ok 4058
190: ok 4059
190: ok 4060
190: ok 4061
190: ok 4062
190: ok 4063
190: ok 4064
190: ok 4065
190: ok 4066
190: ok 4067
190: ok 4068
190: ok 4069
190: ok 4070
190: ok 4071
190: ok 4072
190: ok 4073
190: ok 4074
190: ok 4075
190: ok 4076
190: ok 4077
190: ok 4078
190: ok 4079
190: ok 4080
190: ok 4081
190: ok 4082
190: ok 4083
190: ok 4084
190: ok 4085
190: ok 4086
190: ok 4087
190: ok 4088
190: ok 4089
190: ok 4090
190: ok 4091
190: ok 4092
190: ok 4093
190: ok 4094
190: ok 4095
190: ok 4096
190: ok 4097
190: ok 4098
190: ok 4099
190: ok 4100
190: ok 4101
190: ok 4102
190: ok 4103
190: ok 4104
190: ok 4105
190: ok 4106
190: ok 4107
190: ok 4108
190: ok 4109
190: ok 4110
190: ok 4111
190: ok 4112
190: ok 4113
190: ok 4114
190: ok 4115
190: ok 4116
190: ok 4117
190: ok 4118
190: ok 4119
190: ok 4120
190: ok 4121
190: ok 4122
190: ok 4123
190: ok 4124
190: ok 4125
190: ok 4126
190: ok 4127
190: ok 4128
190: ok 4129
190: ok 4130
190: ok 4131
190: ok 4132
190: ok 4133
190: ok 4134
190: ok 4135
190: ok 4136
190: ok 4137
190: ok 4138
190: ok 4139
190: ok 4140
190: ok 4141
190: ok 4142
190: ok 4143
190: ok 4144
190: ok 4145
190: ok 4146
190: ok 4147
190: ok 4148
190: ok 4149
190: ok 4150
190: ok 4151
190: ok 4152
190: ok 4153
190: ok 4154
190: ok 4155
190: ok 4156
190: ok 4157
190: ok 4158
190: ok 4159
190: ok 4160
190: ok 4161
190: ok 4162
190: ok 4163
190: ok 4164
190: ok 4165
190: ok 4166
190: ok 4167
190: ok 4168
190: ok 4169
190: ok 4170
190: ok 4171
190: ok 4172
190: ok 4173
190: ok 4174
190: ok 4175
190: ok 4176
190: ok 4177
190: ok 4178
190: ok 4179
190: ok 4180
190: ok 4181
190: ok 4182
190: ok 4183
190: ok 4184
190: ok 4185
190: ok 4186
190: ok 4187
190: ok 4188
190: ok 4189
190: ok 4190
190: ok 4191
190: ok 4192
190: ok 4193
190: ok 4194
190: ok 4195
190: ok 4196
190: ok 4197
190: ok 4198
190: ok 4199
190: ok 4200
190: ok 4201
190: ok 4202
190: ok 4203
190: ok 4204
190: ok 4205
190: ok 4206
190: ok 4207
190: ok 4208
190: ok 4209
190: ok 4210
190: ok 4211
190: ok 4212
190: ok 4213
190: ok 4214
190: ok 4215
190: ok 4216
190: ok 4217
190: ok 4218
190: ok 4219
190: ok 4220
190: ok 4221
190: ok 4222
190: ok 4223
190: ok 4224
190: ok 4225
190: ok 4226
190: ok 4227
190: ok 4228
190: ok 4229
190: ok 4230
190: ok 4231
190: ok 4232
190: ok 4233
190: ok 4234
190: ok 4235
190: ok 4236
190: ok 4237
190: ok 4238
190: ok 4239
190: ok 4240
190: ok 4241
190: ok 4242
190: ok 4243
190: ok 4244
190: ok 4245
190: ok 4246
190: ok 4247
190: ok 4248
190: ok 4249
190: ok 4250
190: ok 4251
190: ok 4252
190: ok 4253
190: ok 4254
190: ok 4255
190: ok 4256
190: ok 4257
190: ok 4258
190: ok 4259
190: ok 4260
190: ok 4261
190: ok 4262
190: ok 4263
190: ok 4264
190: ok 4265
190: ok 4266
190: ok 4267
190: ok 4268
190: ok 4269
190: ok 4270
190: ok 4271
190: ok 4272
190: ok 4273
190: ok 4274
190: ok 4275
190: ok 4276
190: ok 4277
190: ok 4278
190: ok 4279
190: ok 4280
190: ok 4281
190: ok 4282
190: ok 4283
190: ok 4284
190: ok 4285
190: ok 4286
190: ok 4287
190: ok 4288
190: ok 4289
190: ok 4290
190: ok 4291
190: ok 4292
190: ok 4293
190: ok 4294
190: ok 4295
190: ok 4296
190: ok 4297
190: ok 4298
190: ok 4299
190: ok 4300
190: ok 4301
190: ok 4302
190: ok 4303
190: ok 4304
190: ok 4305
190: ok 4306
190: ok 4307
190: ok 4308
190: ok 4309
190: ok 4310
190: ok 4311
190: ok 4312
190: ok 4313
190: ok 4314
190: ok 4315
190: ok 4316
190: ok 4317
190: ok 4318
190: ok 4319
190: ok 4320
190: ok 4321
190: ok 4322
190: ok 4323
190: ok 4324
190: ok 4325
190: ok 4326
190: ok 4327
190: ok 4328
190: ok 4329
190: ok 4330
190: ok 4331
190: ok 4332
190: ok 4333
190: ok 4334
190: ok 4335
190: ok 4336
190: ok 4337
190: ok 4338
190: ok 4339
190: ok 4340
190: ok 4341
190: ok 4342
190: ok 4343
190: ok 4344
190: ok 4345
190: ok 4346
190: ok 4347
190: ok 4348
190: ok 4349
190: ok 4350
190: ok 4351
190: ok 4352
190: ok 4353
190: ok 4354
190: ok 4355
190: ok 4356
190: ok 4357
190: ok 4358
190: ok 4359
190: ok 4360
190: ok 4361
190: ok 4362
190: ok 4363
190: ok 4364
190: ok 4365
190: ok 4366
190: ok 4367
190: ok 4368
190: ok 4369
190: ok 4370
190: ok 4371
190: ok 4372
190: ok 4373
190: ok 4374
190: ok 4375
190: ok 4376
190: ok 4377
190: ok 4378
190: ok 4379
190: ok 4380
190: ok 4381
190: ok 4382
190: ok 4383
190: ok 4384
190: ok 4385
190: ok 4386
190: ok 4387
190: ok 4388
190: ok 4389
190: ok 4390
190: ok 4391
190: ok 4392
190: ok 4393
190: ok 4394
190: ok 4395
190: ok 4396
190: ok 4397
190: ok 4398
190: ok 4399
190: ok 4400
190: ok 4401
190: ok 4402
190: ok 4403
190: ok 4404
190: ok 4405
190: ok 4406
190: ok 4407
190: ok 4408
190: ok 4409
190: ok 4410
190: ok 4411
190: ok 4412
190: ok 4413
190: ok 4414
190: ok 4415
190: ok 4416
190: ok 4417
190: ok 4418
190: ok 4419
190: ok 4420
190: ok 4421
190: ok 4422
190: ok 4423
190: ok 4424
190: ok 4425
190: ok 4426
190: ok 4427
190: ok 4428
190: ok 4429
190: ok 4430
190: ok 4431
190: ok 4432
190: ok 4433
190: ok 4434
190: ok 4435
190: ok 4436
190: ok 4437
190: ok 4438
190: ok 4439
190: ok 4440
190: ok 4441
190: ok 4442
190: ok 4443
190: ok 4444
190: ok 4445
190: ok 4446
190: ok 4447
190: ok 4448
190: ok 4449
190: ok 4450
190: ok 4451
190: ok 4452
190: ok 4453
190: ok 4454
190: ok 4455
190: ok 4456
190: ok 4457
190: ok 4458
190: ok 4459
190: ok 4460
190: ok 4461
190: ok 4462
190: ok 4463
190: ok 4464
190: ok 4465
190: ok 4466
190: ok 4467
190: ok 4468
190: ok 4469
190: ok 4470
190: ok 4471
190: ok 4472
190: ok 4473
190: ok 4474
190: ok 4475
190: ok 4476
190: ok 4477
190: ok 4478
190: ok 4479
190: ok 4480
190: ok 4481
190: ok 4482
190: ok 4483
190: ok 4484
190: ok 4485
190: ok 4486
190: ok 4487
190: ok 4488
190: ok 4489
190: ok 4490
190: ok 4491
190: ok 4492
190: ok 4493
190: ok 4494
190: ok 4495
190: ok 4496
190: ok 4497
190: ok 4498
190: ok 4499
190: ok 4500
190: ok 4501
190: ok 4502
190: ok 4503
190: ok 4504
190: ok 4505
190: ok 4506
190: ok 4507
190: ok 4508
190: ok 4509
190: ok 4510
190: ok 4511
190: ok 4512
190: ok 4513
190: ok 4514
190: ok 4515
190: ok 4516
190: ok 4517
190: ok 4518
190: ok 4519
190: ok 4520
190: ok 4521
190: ok 4522
190: ok 4523
190: ok 4524
190: ok 4525
190: ok 4526
190: ok 4527
190: ok 4528
190: ok 4529
190: ok 4530
190: ok 4531
190: ok 4532
190: ok 4533
190: ok 4534
190: ok 4535
190: ok 4536
190: ok 4537
190: ok 4538
190: ok 4539
190: ok 4540
190: ok 4541
190: ok 4542
190: ok 4543
190: ok 4544
190: ok 4545
190: ok 4546
190: ok 4547
190: ok 4548
190: ok 4549
190: ok 4550
190: ok 4551
190: ok 4552
190: ok 4553
190: ok 4554
190: ok 4555
190: ok 4556
190: ok 4557
190: ok 4558
190: ok 4559
190: ok 4560
190: ok 4561
190: ok 4562
190: ok 4563
190: ok 4564
190: ok 4565
190: ok 4566
190: ok 4567
190: ok 4568
190: ok 4569
190: ok 4570
190: ok 4571
190: ok 4572
190: ok 4573
190: ok 4574
190: ok 4575
190: ok 4576
190: ok 4577
190: ok 4578
190: ok 4579
190: ok 4580
190: ok 4581
190: ok 4582
190: ok 4583
190: ok 4584
190: ok 4585
190: ok 4586
190: ok 4587
190: ok 4588
190: ok 4589
190: ok 4590
190: ok 4591
190: ok 4592
190: ok 4593
190: ok 4594
190: ok 4595
190: ok 4596
190: ok 4597
190: ok 4598
190: ok 4599
190: ok 4600
190: ok 4601
190: ok 4602
190: ok 4603
190: ok 4604
190: ok 4605
190: ok 4606
190: ok 4607
190: ok 4608
190: ok 4609
190: ok 4610
190: ok 4611
190: ok 4612
190: ok 4613
190: ok 4614
190: ok 4615
190: ok 4616
190: ok 4617
190: ok 4618
190: ok 4619
190: ok 4620
190: ok 4621
190: ok 4622
190: ok 4623
190: ok 4624
190: ok 4625
190: ok 4626
190: ok 4627
190: ok 4628
190: ok 4629
190: ok 4630
190: ok 4631
190: ok 4632
190: ok 4633
190: ok 4634
190: ok 4635
190: ok 4636
190: ok 4637
190: ok 4638
190: ok 4639
190: ok 4640
190: ok 4641
190: ok 4642
190: ok 4643
190: ok 4644
190: ok 4645
190: ok 4646
190: ok 4647
190: ok 4648
190: ok 4649
190: ok 4650
190: ok 4651
190: ok 4652
190: ok 4653
190: ok 4654
190: ok 4655
190: ok 4656
190: ok 4657
190: ok 4658
190: ok 4659
190: ok 4660
190: ok 4661
190: ok 4662
190: ok 4663
190: ok 4664
190: ok 4665
190: ok 4666
190: ok 4667
190: ok 4668
190: ok 4669
190: ok 4670
190: ok 4671
190: ok 4672
190: ok 4673
190: ok 4674
190: ok 4675
190: ok 4676
190: ok 4677
190: ok 4678
190: ok 4679
190: ok 4680
190: ok 4681
190: ok 4682
190: ok 4683
190: ok 4684
190: ok 4685
190: ok 4686
190: ok 4687
190: ok 4688
190: ok 4689
190: ok 4690
190: ok 4691
190: ok 4692
190: ok 4693
190: ok 4694
190: ok 4695
190: ok 4696
190: ok 4697
190: ok 4698
190: ok 4699
190: ok 4700
190: ok 4701
190: ok 4702
190: ok 4703
190: ok 4704
190: ok 4705
190: ok 4706
190: ok 4707
190: ok 4708
190: ok 4709
190: ok 4710
190: ok 4711
190: ok 4712
190: ok 4713
190: ok 4714
190: ok 4715
190: ok 4716
190: ok 4717
190: ok 4718
190: ok 4719
190: ok 4720
190: ok 4721
190: ok 4722
190: ok 4723
190: ok 4724
190: ok 4725
190: ok 4726
190: ok 4727
190: ok 4728
190: ok 4729
190: ok 4730
190: ok 4731
190: ok 4732
190: ok 4733
190: ok 4734
190: ok 4735
190: ok 4736
190: ok 4737
190: ok 4738
190: ok 4739
190: ok 4740
190: ok 4741
190: ok 4742
190: ok 4743
190: ok 4744
190: ok 4745
190: ok 4746
190: ok 4747
190: ok 4748
190: ok 4749
190: ok 4750
190: ok 4751
190: ok 4752
190: ok 4753
190: ok 4754
190: ok 4755
190: ok 4756
190: ok 4757
190: ok 4758
190: ok 4759
190: ok 4760
190: ok 4761
190: ok 4762
190: ok 4763
190: ok 4764
190: ok 4765
190: ok 4766
190: ok 4767
190: ok 4768
190: ok 4769
190: ok 4770
190: ok 4771
190: ok 4772
190: ok 4773
190: ok 4774
190: ok 4775
190: ok 4776
190: ok 4777
190: ok 4778
190: ok 4779
190: ok 4780
190: ok 4781
190: ok 4782
190: ok 4783
190: ok 4784
190: ok 4785
190: ok 4786
190: ok 4787
190: ok 4788
190: ok 4789
190: ok 4790
190: ok 4791
190: ok 4792
190: ok 4793
190: ok 4794
190: ok 4795
190: ok 4796
190: ok 4797
190: ok 4798
190: ok 4799
190: ok 4800
190: ok 4801
190: ok 4802
190: ok 4803
190: ok 4804
190: ok 4805
190: ok 4806
190: ok 4807
190: ok 4808
190: ok 4809
190: ok 4810
190: ok 4811
190: ok 4812
190: ok 4813
190: ok 4814
190: ok 4815
190: ok 4816
190: ok 4817
190: ok 4818
190: ok 4819
190: ok 4820
190: ok 4821
190: ok 4822
190: ok 4823
190: ok 4824
190: ok 4825
190: ok 4826
190: ok 4827
190: ok 4828
190: ok 4829
190: ok 4830
190: ok 4831
190: ok 4832
190: ok 4833
190: ok 4834
190: ok 4835
190: ok 4836
190: ok 4837
190: ok 4838
190: ok 4839
190: ok 4840
190: ok 4841
190: ok 4842
190: ok 4843
190: ok 4844
190: ok 4845
190: ok 4846
190: ok 4847
190: ok 4848
190: ok 4849
190: ok 4850
190: ok 4851
190: ok 4852
190: ok 4853
190: ok 4854
190: ok 4855
190: ok 4856
190: ok 4857
190: ok 4858
190: ok 4859
190: ok 4860
190: ok 4861
190: ok 4862
190: ok 4863
190: ok 4864
190: ok 4865
190: ok 4866
190: ok 4867
190: ok 4868
190: ok 4869
190: ok 4870
190: ok 4871
190: ok 4872
190: ok 4873
190: ok 4874
190: ok 4875
190: ok 4876
190: ok 4877
190: ok 4878
190: ok 4879
190: ok 4880
190: ok 4881
190: ok 4882
190: ok 4883
190: ok 4884
190: ok 4885
190: ok 4886
190: ok 4887
190: ok 4888
190: ok 4889
190: ok 4890
190: ok 4891
190: ok 4892
190: ok 4893
190: ok 4894
190: ok 4895
190: ok 4896
190: ok 4897
190: ok 4898
190: ok 4899
190: ok 4900
190: ok 4901
190: ok 4902
190: ok 4903
190: ok 4904
190: ok 4905
190: ok 4906
190: ok 4907
190: ok 4908
190: ok 4909
190: ok 4910
190: ok 4911
190: ok 4912
190: ok 4913
190: ok 4914
190: ok 4915
190: ok 4916
190: ok 4917
190: ok 4918
190: ok 4919
190: ok 4920
190: ok 4921
190: ok 4922
190: ok 4923
190: ok 4924
190: ok 4925
190: ok 4926
190: ok 4927
190: ok 4928
190: ok 4929
190: ok 4930
190: ok 4931
190: ok 4932
190: ok 4933
190: ok 4934
190: ok 4935
190: ok 4936
190: ok 4937
190: ok 4938
190: ok 4939
190: ok 4940
190: ok 4941
190: ok 4942
190: ok 4943
190: ok 4944
190: ok 4945
190: ok 4946
190: ok 4947
190: ok 4948
190: ok 4949
190: ok 4950
190: ok 4951
190: ok 4952
190: ok 4953
190: ok 4954
190: ok 4955
190: ok 4956
190: ok 4957
190: ok 4958
190: ok 4959
190: ok 4960
190: ok 4961
190: ok 4962
190: ok 4963
190: ok 4964
190: ok 4965
190: ok 4966
190: ok 4967
190: ok 4968
190: ok 4969
190: ok 4970
190: ok 4971
190: ok 4972
190: ok 4973
190: ok 4974
190: ok 4975
190: ok 4976
190: ok 4977
190: ok 4978
190: ok 4979
190: ok 4980
190: ok 4981
190: ok 4982
190: ok 4983
190: ok 4984
190: ok 4985
190: ok 4986
190: ok 4987
190: ok 4988
190: ok 4989
190: ok 4990
190: ok 4991
190: ok 4992
190: ok 4993
190: ok 4994
190: ok 4995
190: ok 4996
190: ok 4997
190: ok 4998
190: ok 4999
190: ok 5000
190: ok 5001
190: ok 5002
190: ok 5003
190: ok 5004
190: ok 5005
190: ok 5006
190: ok 5007
190: ok 5008
190: ok 5009
190: ok 5010
190: ok 5011
190: ok 5012
190: ok 5013
190: ok 5014
190: ok 5015
190: ok 5016
190: ok 5017
190: ok 5018
190: ok 5019
190: ok 5020
190: ok 5021
190: ok 5022
190: ok 5023
190: ok 5024
190: ok 5025
190: ok 5026
190: ok 5027
190: ok 5028
190: ok 5029
190: ok 5030
190: ok 5031
190: ok 5032
190: ok 5033
190: ok 5034
190: ok 5035
190: ok 5036
190: ok 5037
190: ok 5038
190: ok 5039
190: ok 5040
190: ok 5041
190: ok 5042
190: ok 5043
190: ok 5044
190: ok 5045
190: ok 5046
190: ok 5047
190: ok 5048
190: ok 5049
190: ok 5050
190: ok 5051
190: ok 5052
190: ok 5053
190: ok 5054
190: ok 5055
190: ok 5056
190: ok 5057
190: ok 5058
190: ok 5059
190: ok 5060
190: ok 5061
190: ok 5062
190: ok 5063
190: ok 5064
190: ok 5065
190: ok 5066
190: ok 5067
190: ok 5068
190: ok 5069
190: ok 5070
190: ok 5071
190: ok 5072
190: ok 5073
190: ok 5074
190: ok 5075
190: ok 5076
190: ok 5077
190: ok 5078
190: ok 5079
190: ok 5080
190: ok 5081
190: ok 5082
190: ok 5083
190: ok 5084
190: ok 5085
190: ok 5086
190: ok 5087
190: ok 5088
190: ok 5089
190: ok 5090
190: ok 5091
190: ok 5092
190: ok 5093
190: ok 5094
190: ok 5095
190: ok 5096
190: ok 5097
190: ok 5098
190: ok 5099
190: ok 5100
190: ok 5101
190: ok 5102
190: ok 5103
190: ok 5104
190: ok 5105
190: ok 5106
190: ok 5107
190: ok 5108
190: ok 5109
190: ok 5110
190: ok 5111
190: ok 5112
190: ok 5113
190: ok 5114
190: ok 5115
190: ok 5116
190: ok 5117
190: ok 5118
190: ok 5119
190: ok 5120
190: ok 5121
190: ok 5122
190: ok 5123
190: ok 5124
190: ok 5125
190: ok 5126
190: ok 5127
190: ok 5128
190: ok 5129
190: ok 5130
190: ok 5131
190: ok 5132
190: ok 5133
190: ok 5134
190: ok 5135
190: ok 5136
190: ok 5137
190: ok 5138
190: ok 5139
190: ok 5140
190: ok 5141
190: ok 5142
190: ok 5143
190: ok 5144
190: ok 5145
190: ok 5146
190: ok 5147
190: ok 5148
190: ok 5149
190: ok 5150
190: ok 5151
190: ok 5152
190: ok 5153
190: ok 5154
190: ok 5155
190: ok 5156
190: ok 5157
190: ok 5158
190: ok 5159
190: ok 5160
190: ok 5161
190: ok 5162
190: ok 5163
190: ok 5164
190: ok 5165
190: ok 5166
190: ok 5167
190: ok 5168
190: ok 5169
190: ok 5170
190: ok 5171
190: ok 5172
190: ok 5173
190: ok 5174
190: ok 5175
190: ok 5176
190: ok 5177
190: ok 5178
190: ok 5179
190: ok 5180
190: ok 5181
190: ok 5182
190: ok 5183
190: ok 5184
190: ok 5185
190: ok 5186
190: ok 5187
190: ok 5188
190: ok 5189
190: ok 5190
190: ok 5191
190: ok 5192
190: ok 5193
190: ok 5194
190: ok 5195
190: ok 5196
190: ok 5197
190: ok 5198
190: ok 5199
190: ok 5200
190: ok 5201
190: ok 5202
190: ok 5203
190: ok 5204
190: ok 5205
190: ok 5206
190: ok 5207
190: ok 5208
190: ok 5209
190: ok 5210
190: ok 5211
190: ok 5212
190: ok 5213
190: ok 5214
190: ok 5215
190: ok 5216
190: ok 5217
190: ok 5218
190: ok 5219
190: ok 5220
190: ok 5221
190: ok 5222
190: ok 5223
190: ok 5224
190: ok 5225
190: ok 5226
190: ok 5227
190: ok 5228
190: ok 5229
190: ok 5230
190: ok 5231
190: ok 5232
190: ok 5233
190: ok 5234
190: ok 5235
190: ok 5236
190: ok 5237
190: ok 5238
190: ok 5239
190: ok 5240
190: ok 5241
190: ok 5242
190: ok 5243
190: ok 5244
190: ok 5245
190: ok 5246
190: ok 5247
190: ok 5248
190: ok 5249
190: ok 5250
190: ok 5251
190: ok 5252
190: ok 5253
190: ok 5254
190: ok 5255
190: ok 5256
190: ok 5257
190: ok 5258
190: ok 5259
190: ok 5260
190: ok 5261
190: ok 5262
190: ok 5263
190: ok 5264
190: ok 5265
190: ok 5266
190: ok 5267
190: ok 5268
190: ok 5269
190: ok 5270
190: ok 5271
190: ok 5272
190: ok 5273
190: ok 5274
190: ok 5275
190: ok 5276
190: ok 5277
190: ok 5278
190: ok 5279
190: ok 5280
190: ok 5281
190: ok 5282
190: ok 5283
190: ok 5284
190: ok 5285
190: ok 5286
190: ok 5287
190: ok 5288
190: ok 5289
190: ok 5290
190: ok 5291
190: ok 5292
190: ok 5293
190: ok 5294
190: ok 5295
190: ok 5296
190: ok 5297
190: ok 5298
190: ok 5299
190: ok 5300
190: ok 5301
190: ok 5302
190: ok 5303
190: ok 5304
190: ok 5305
190: ok 5306
190: ok 5307
190: ok 5308
190: ok 5309
190: ok 5310
190: ok 5311
190: ok 5312
190: ok 5313
190: ok 5314
190: ok 5315
190: ok 5316
190: ok 5317
190: ok 5318
190: ok 5319
190: ok 5320
190: ok 5321
190: ok 5322
190: ok 5323
190: ok 5324
190: ok 5325
190: ok 5326
190: ok 5327
190: ok 5328
190: ok 5329
190: ok 5330
190: ok 5331
190: ok 5332
190: ok 5333
190: ok 5334
190: ok 5335
190: ok 5336
190: ok 5337
190: ok 5338
190: ok 5339
190: ok 5340
190: ok 5341
190: ok 5342
190: ok 5343
190: ok 5344
190: ok 5345
190: ok 5346
190: ok 5347
190: ok 5348
190: ok 5349
190: ok 5350
190: ok 5351
190: ok 5352
190: ok 5353
190: ok 5354
190: ok 5355
190: ok 5356
190: ok 5357
190: ok 5358
190: ok 5359
190: ok 5360
190: ok 5361
190: ok 5362
190: ok 5363
190: ok 5364
190: ok 5365
190: ok 5366
190: ok 5367
190: ok 5368
190: ok 5369
190: ok 5370
190: ok 5371
190: ok 5372
190: ok 5373
190: ok 5374
190: ok 5375
190: ok 5376
190: ok 5377
190: ok 5378
190: ok 5379
190: ok 5380
190: ok 5381
190: ok 5382
190: ok 5383
190: ok 5384
190: ok 5385
190: ok 5386
190: ok 5387
190: ok 5388
190: ok 5389
190: ok 5390
190: ok 5391
190: ok 5392
190: ok 5393
190: ok 5394
190: ok 5395
190: ok 5396
190: ok 5397
190: ok 5398
190: ok 5399
190: ok 5400
190: ok 5401
190: ok 5402
190: ok 5403
190: ok 5404
190: ok 5405
190: ok 5406
190: ok 5407
190: ok 5408
190: ok 5409
190: ok 5410
190: ok 5411
190: ok 5412
190: ok 5413
190: ok 5414
190: ok 5415
190: ok 5416
190: ok 5417
190: ok 5418
190: ok 5419
190: ok 5420
190: ok 5421
190: ok 5422
190: ok 5423
190: ok 5424
190: ok 5425
190: ok 5426
190: ok 5427
190: ok 5428
190: ok 5429
190: ok 5430
190: ok 5431
190: ok 5432
190: ok 5433
190: ok 5434
190: ok 5435
190: ok 5436
190: ok 5437
190: ok 5438
190: ok 5439
190: ok 5440
190: ok 5441
190: ok 5442
190: ok 5443
190: ok 5444
190: ok 5445
190: ok 5446
190: ok 5447
190: ok 5448
190: ok 5449
190: ok 5450
190: ok 5451
190: ok 5452
190: ok 5453
190: ok 5454
190: ok 5455
190: ok 5456
190: ok 5457
190: ok 5458
190: ok 5459
190: ok 5460
190: ok 5461
190: ok 5462
190: ok 5463
190: ok 5464
190: ok 5465
190: ok 5466
190: ok 5467
190: ok 5468
190: ok 5469
190: ok 5470
190: ok 5471
190: ok 5472
190: ok 5473
190: ok 5474
190: ok 5475
190: ok 5476
190: ok 5477
190: ok 5478
190: ok 5479
190: ok 5480
190: ok 5481
190: ok 5482
190: ok 5483
190: ok 5484
190: ok 5485
190: ok 5486
190: ok 5487
190: ok 5488
190: ok 5489
190: ok 5490
190: ok 5491
190: ok 5492
190: ok 5493
190: ok 5494
190: ok 5495
190: ok 5496
190: ok 5497
190: ok 5498
190: ok 5499
190: ok 5500
190: ok 5501
190: ok 5502
190: ok 5503
190: ok 5504
190: ok 5505
190: ok 5506
190: ok 5507
190: ok 5508
190: ok 5509
190: ok 5510
190: ok 5511
190: ok 5512
190: ok 5513
190: ok 5514
190: ok 5515
190: ok 5516
190: ok 5517
190: ok 5518
190: ok 5519
190: ok 5520
190: ok 5521
190: ok 5522
190: ok 5523
190: ok 5524
190: ok 5525
190: ok 5526
190: ok 5527
190: ok 5528
190: ok 5529
190: ok 5530
190: ok 5531
190: ok 5532
190: ok 5533
190: ok 5534
190: ok 5535
190: ok 5536
190: ok 5537
190: ok 5538
190: ok 5539
190: ok 5540
190: ok 5541
190: ok 5542
190: ok 5543
190: ok 5544
190: ok 5545
190: ok 5546
190: ok 5547
190: ok 5548
190: ok 5549
190: ok 5550
190: ok 5551
190: ok 5552
190: ok 5553
190: ok 5554
190: ok 5555
190: ok 5556
190: ok 5557
190: ok 5558
190: ok 5559
190: ok 5560
190: ok 5561
190: ok 5562
190: ok 5563
190: ok 5564
190: ok 5565
190: ok 5566
190: ok 5567
190: ok 5568
190: ok 5569
190: ok 5570
190: ok 5571
190: ok 5572
190: ok 5573
190: ok 5574
190: ok 5575
190: ok 5576
190: ok 5577
190: ok 5578
190: ok 5579
190: ok 5580
190: ok 5581
190: ok 5582
190: ok 5583
190: ok 5584
190: ok 5585
190: ok 5586
190: ok 5587
190: ok 5588
190: ok 5589
190: ok 5590
190: ok 5591
190: ok 5592
190: ok 5593
190: ok 5594
190: ok 5595
190: ok 5596
190: ok 5597
190: ok 5598
190: ok 5599
190: ok 5600
190: ok 5601
190: ok 5602
190: ok 5603
190: ok 5604
190: ok 5605
190: ok 5606
190: ok 5607
190: ok 5608
190: ok 5609
190: ok 5610
190: ok 5611
190: ok 5612
190: ok 5613
190: ok 5614
190: ok 5615
190: ok 5616
190: ok 5617
190: ok 5618
190: ok 5619
190: ok 5620
190: ok 5621
190: ok 5622
190: ok 5623
190: ok 5624
190: ok 5625
190: ok 5626
190: ok 5627
190: ok 5628
190: ok 5629
190: ok 5630
190: ok 5631
190: ok 5632
190: ok 5633
190: ok 5634
190: ok 5635
190: ok 5636
190: ok 5637
190: ok 5638
190: ok 5639
190: ok 5640
190: ok 5641
190: ok 5642
190: ok 5643
190: ok 5644
190: ok 5645
190: ok 5646
190: ok 5647
190: ok 5648
190: ok 5649
190: ok 5650
190: ok 5651
190: ok 5652
190: ok 5653
190: ok 5654
190: ok 5655
190: ok 5656
190: ok 5657
190: ok 5658
190: ok 5659
190: ok 5660
190: ok 5661
190: ok 5662
190: ok 5663
190: ok 5664
190: ok 5665
190: ok 5666
190: ok 5667
190: ok 5668
190: ok 5669
190: ok 5670
190: ok 5671
190: ok 5672
190: ok 5673
190: ok 5674
190: ok 5675
190: ok 5676
190: ok 5677
190: ok 5678
190: ok 5679
190: ok 5680
190: ok 5681
190: ok 5682
190: ok 5683
190: ok 5684
190: ok 5685
190: ok 5686
190: ok 5687
190: ok 5688
190: ok 5689
190: ok 5690
190: ok 5691
190: ok 5692
190: ok 5693
190: ok 5694
190: ok 5695
190: ok 5696
190: ok 5697
190: ok 5698
190: ok 5699
190: ok 5700
190: ok 5701
190: ok 5702
190: ok 5703
190: ok 5704
190: ok 5705
190: ok 5706
190: ok 5707
190: ok 5708
190: ok 5709
190: ok 5710
190: ok 5711
190: ok 5712
190: ok 5713
190: ok 5714
190: ok 5715
190: ok 5716
190: ok 5717
190: ok 5718
190: ok 5719
190: ok 5720
190: ok 5721
190: ok 5722
190: ok 5723
190: ok 5724
190: ok 5725
190: ok 5726
190: ok 5727
190: ok 5728
190: ok 5729
190: ok 5730
190: ok 5731
190: ok 5732
190: ok 5733
190: ok 5734
190: ok 5735
190: ok 5736
190: ok 5737
190: ok 5738
190: ok 5739
190: ok 5740
190: ok 5741
190: ok 5742
190: ok 5743
190: ok 5744
190: ok 5745
190: ok 5746
190: ok 5747
190: ok 5748
190: ok 5749
190: ok 5750
190: ok 5751
190: ok 5752
190: ok 5753
190: ok 5754
190: ok 5755
190: ok 5756
190: ok 5757
190: ok 5758
190: ok 5759
190: ok 5760
190: ok 5761
190: ok 5762
190: ok 5763
190: ok 5764
190: ok 5765
190: ok 5766
190: ok 5767
190: ok 5768
190: ok 5769
190: ok 5770
190: ok 5771
190: ok 5772
190: ok 5773
190: ok 5774
190: ok 5775
190: ok 5776
190: ok 5777
190: ok 5778
190: ok 5779
190: ok 5780
190: ok 5781
190: ok 5782
190: ok 5783
190: ok 5784
190: ok 5785
190: ok 5786
190: ok 5787
190: ok 5788
190: ok 5789
190: ok 5790
190: ok 5791
190: ok 5792
190: ok 5793
190: ok 5794
190: ok 5795
190: ok 5796
190: ok 5797
190: ok 5798
190: ok 5799
190: ok 5800
190: ok 5801
190: ok 5802
190: ok 5803
190: ok 5804
190: ok 5805
190: ok 5806
190: ok 5807
190: ok 5808
190: ok 5809
190: ok 5810
190: ok 5811
190: ok 5812
190: ok 5813
190: ok 5814
190: ok 5815
190: ok 5816
190: ok 5817
190: ok 5818
190: ok 5819
190: ok 5820
190: ok 5821
190: ok 5822
190: ok 5823
190: ok 5824
190: ok 5825
190: ok 5826
190: ok 5827
190: ok 5828
190: ok 5829
190: ok 5830
190: ok 5831
190: ok 5832
190: ok 5833
190: ok 5834
190: ok 5835
190: ok 5836
190: ok 5837
190: ok 5838
190: ok 5839
190: ok 5840
190: ok 5841
190: ok 5842
190: ok 5843
190: ok 5844
190: ok 5845
190: ok 5846
190: ok 5847
190: ok 5848
190: ok 5849
190: ok 5850
190: ok 5851
190: ok 5852
190: ok 5853
190: ok 5854
190: ok 5855
190: ok 5856
190: ok 5857
190: ok 5858
190: ok 5859
190: ok 5860
190: ok 5861
190: ok 5862
190: ok 5863
190: ok 5864
190: ok 5865
190: ok 5866
190: ok 5867
190: ok 5868
190: ok 5869
190: ok 5870
190: ok 5871
190: ok 5872
190: ok 5873
190: ok 5874
190: ok 5875
190: ok 5876
190: ok 5877
190: ok 5878
190: ok 5879
190: ok 5880
190: ok 5881
190: ok 5882
190: ok 5883
190: ok 5884
190: ok 5885
190: ok 5886
190: ok 5887
190: ok 5888
190: ok 5889
190: ok 5890
190: ok 5891
190: ok 5892
190: ok 5893
190: ok 5894
190: ok 5895
190: ok 5896
190: ok 5897
190: ok 5898
190: ok 5899
190: ok 5900
190: ok 5901
190: ok 5902
190: ok 5903
190: ok 5904
190: ok 5905
190: ok 5906
190: ok 5907
190: ok 5908
190: ok 5909
190: ok 5910
190: ok 5911
190: ok 5912
190: ok 5913
190: ok 5914
190: ok 5915
190: ok 5916
190: ok 5917
190: ok 5918
190: ok 5919
190: ok 5920
190: ok 5921
190: ok 5922
190: ok 5923
190: ok 5924
190: ok 5925
190: ok 5926
190: ok 5927
190: ok 5928
190: ok 5929
190: ok 5930
190: ok 5931
190: ok 5932
190: ok 5933
190: ok 5934
190: ok 5935
190: ok 5936
190: ok 5937
190: ok 5938
190: ok 5939
190: ok 5940
190: ok 5941
190: ok 5942
190: ok 5943
190: ok 5944
190: ok 5945
190: ok 5946
190: ok 5947
190: ok 5948
190: ok 5949
190: ok 5950
190: ok 5951
190: ok 5952
190: ok 5953
190: ok 5954
190: ok 5955
190: ok 5956
190: ok 5957
190: ok 5958
190: ok 5959
190: ok 5960
190: ok 5961
190: ok 5962
190: ok 5963
190: ok 5964
190: ok 5965
190: ok 5966
190: ok 5967
190: ok 5968
190: ok 5969
190: ok 5970
190: ok 5971
190: ok 5972
190: ok 5973
190: ok 5974
190: ok 5975
190: ok 5976
190: ok 5977
190: ok 5978
190: ok 5979
190: ok 5980
190: ok 5981
190: ok 5982
190: ok 5983
190: ok 5984
190: ok 5985
190: ok 5986
190: ok 5987
190: ok 5988
190: ok 5989
190: ok 5990
190: ok 5991
190: ok 5992
190: ok 5993
190: ok 5994
190: ok 5995
190: ok 5996
190: ok 5997
190: ok 5998
190: ok 5999
190: ok 6000
190: ok 6001
190: ok 6002
190: ok 6003
190: ok 6004
190: ok 6005
190: ok 6006
190: ok 6007
190: ok 6008
190: ok 6009
190: ok 6010
190: ok 6011
190: ok 6012
190: ok 6013
190: ok 6014
190: ok 6015
190: ok 6016
190: ok 6017
190: ok 6018
190: ok 6019
190: ok 6020
190: ok 6021
190: ok 6022
190: ok 6023
190: ok 6024
190: ok 6025
190: ok 6026
190: ok 6027
190: ok 6028
190: ok 6029
190: ok 6030
190: ok 6031
190: ok 6032
190: ok 6033
190: ok 6034
190: ok 6035
190: ok 6036
190: ok 6037
190: ok 6038
190: ok 6039
190: ok 6040
190: ok 6041
190: ok 6042
190: ok 6043
190: ok 6044
190: ok 6045
190: ok 6046
190: ok 6047
190: ok 6048
190: ok 6049
190: ok 6050
190: ok 6051
190: ok 6052
190: ok 6053
190: ok 6054
190: ok 6055
190: ok 6056
190: ok 6057
190: ok 6058
190: ok 6059
190: ok 6060
190: ok 6061
190: ok 6062
190: ok 6063
190: ok 6064
190: ok 6065
190: ok 6066
190: ok 6067
190: ok 6068
190: ok 6069
190: ok 6070
190: ok 6071
190: ok 6072
190: ok 6073
190: ok 6074
190: ok 6075
190: ok 6076
190: ok 6077
190: ok 6078
190: ok 6079
190: ok 6080
190: ok 6081
190: ok 6082
190: ok 6083
190: ok 6084
190: ok 6085
190: ok 6086
190: ok 6087
190: ok 6088
190: ok 6089
190: ok 6090
190: ok 6091
190: ok 6092
190: ok 6093
190: ok 6094
190: ok 6095
190: ok 6096
190: ok 6097
190: ok 6098
190: ok 6099
190: ok 6100
190: ok 6101
190: ok 6102
190: ok 6103
190: ok 6104
190: ok 6105
190: ok 6106
190: ok 6107
190: ok 6108
190: ok 6109
190: ok 6110
190: ok 6111
190: ok 6112
190: ok 6113
190: ok 6114
190: ok 6115
190: ok 6116
190: ok 6117
190: ok 6118
190: ok 6119
190: ok 6120
190: ok 6121
190: ok 6122
190: ok 6123
190: ok 6124
190: ok 6125
190: ok 6126
190: ok 6127
190: ok 6128
190: ok 6129
190: ok 6130
190: ok 6131
190: ok 6132
190: ok 6133
190: ok 6134
190: ok 6135
190: ok 6136
190: ok 6137
190: ok 6138
190: ok 6139
190: ok 6140
190: ok 6141
190: ok 6142
190: ok 6143
190: ok 6144
190: ok 6145
190: ok 6146
190: ok 6147
190: ok 6148
190: ok 6149
190: ok 6150
190: ok 6151
190: ok 6152
190: ok 6153
190: ok 6154
190: ok 6155
190: ok 6156
190: ok 6157
190: ok 6158
190: ok 6159
190: ok 6160
190: ok 6161
190: ok 6162
190: ok 6163
190: ok 6164
190: ok 6165
190: ok 6166
190: ok 6167
190: ok 6168
190: ok 6169
190: ok 6170
190: ok 6171
190: ok 6172
190: ok 6173
190: ok 6174
190: ok 6175
190: ok 6176
190: ok 6177
190: ok 6178
190: ok 6179
190: ok 6180
190: ok 6181
190: ok 6182
190: ok 6183
190: ok 6184
190: ok 6185
190: ok 6186
190: ok 6187
190: ok 6188
190: ok 6189
190: ok 6190
190: ok 6191
190: ok 6192
190: ok 6193
190: ok 6194
190: ok 6195
190: ok 6196
190: ok 6197
190: ok 6198
190: ok 6199
190: ok 6200
190: ok 6201
190: ok 6202
190: ok 6203
190: ok 6204
190: ok 6205
190: ok 6206
190: ok 6207
190: ok 6208
190: ok 6209
190: ok 6210
190: ok 6211
190: ok 6212
190: ok 6213
190: ok 6214
190: ok 6215
190: ok 6216
190: ok 6217
190: ok 6218
190: ok 6219
190: ok 6220
190: ok 6221
190: ok 6222
190: ok 6223
190: ok 6224
190: ok 6225
190: ok 6226
190: ok 6227
190: ok 6228
190: ok 6229
190: ok 6230
190: ok 6231
190: ok 6232
190: ok 6233
190: ok 6234
190: ok 6235
190: ok 6236
190: ok 6237
190: ok 6238
190: ok 6239
190: ok 6240
190: ok 6241
190: ok 6242
190: ok 6243
190: ok 6244
190: ok 6245
190: ok 6246
190: ok 6247
190: ok 6248
190: ok 6249
190: ok 6250
190: ok 6251
190: ok 6252
190: ok 6253
190: ok 6254
190: ok 6255
190: ok 6256
190: ok 6257
190: ok 6258
190: ok 6259
190: ok 6260
190: ok 6261
190: ok 6262
190: ok 6263
190: ok 6264
190: ok 6265
190: ok 6266
190: ok 6267
190: ok 6268
190: ok 6269
190: ok 6270
190: ok 6271
190: ok 6272
190: ok 6273
190: ok 6274
190: ok 6275
190: ok 6276
190: ok 6277
190: ok 6278
190: ok 6279
190: ok 6280
190: ok 6281
190: ok 6282
190: ok 6283
190: ok 6284
190: ok 6285
190: ok 6286
190: ok 6287
190: ok 6288
190: ok 6289
190: ok 6290
190: ok 6291
190: ok 6292
190: ok 6293
190: ok 6294
190: ok 6295
190: ok 6296
190: ok 6297
190: ok 6298
190: ok 6299
190: ok 6300
190: ok 6301
190: ok 6302
190: ok 6303
190: ok 6304
190: ok 6305
190: ok 6306
190: ok 6307
190: ok 6308
190: ok 6309
190: ok 6310
190: ok 6311
190: ok 6312
190: ok 6313
190: ok 6314
190: ok 6315
190: ok 6316
190: ok 6317
190: ok 6318
190: ok 6319
190: ok 6320
190: ok 6321
190: ok 6322
190: ok 6323
190: ok 6324
190: ok 6325
190: ok 6326
190: ok 6327
190: ok 6328
190: ok 6329
190: ok 6330
190: ok 6331
190: ok 6332
190: ok 6333
190: ok 6334
190: ok 6335
190: ok 6336
190: ok 6337
190: ok 6338
190: ok 6339
190: ok 6340
190: ok 6341
190: ok 6342
190: ok 6343
190: ok 6344
190: ok 6345
190: ok 6346
190: ok 6347
190: ok 6348
190: ok 6349
190: ok 6350
190: ok 6351
190: ok 6352
190: ok 6353
190: ok 6354
190: ok 6355
190: ok 6356
190: ok 6357
190: ok 6358
190: ok 6359
190: ok 6360
190: ok 6361
190: ok 6362
190: ok 6363
190: ok 6364
190: ok 6365
190: ok 6366
190: ok 6367
190: ok 6368
190: ok 6369
190: ok 6370
190: ok 6371
190: ok 6372
190: ok 6373
190: ok 6374
190: ok 6375
190: ok 6376
190: ok 6377
190: ok 6378
190: ok 6379
190: ok 6380
190: ok 6381
190: ok 6382
190: ok 6383
190: ok 6384
190: ok 6385
190: ok 6386
190: ok 6387
190: ok 6388
190: ok 6389
190: ok 6390
190: ok 6391
190: ok 6392
190: ok 6393
190: ok 6394
190: ok 6395
190: ok 6396
190: ok 6397
190: ok 6398
190: ok 6399
190: ok 6400
190: ok 6401
190: ok 6402
190: ok 6403
190: ok 6404
190: ok 6405
190: ok 6406
190: ok 6407
190: ok 6408
190: ok 6409
190: ok 6410
190: ok 6411
190: ok 6412
190: ok 6413
190: ok 6414
190: ok 6415
190: ok 6416
190: ok 6417
190: ok 6418
190: ok 6419
190: ok 6420
190: ok 6421
190: ok 6422
190: ok 6423
190: ok 6424
190: ok 6425
190: ok 6426
190: ok 6427
190: ok 6428
190: ok 6429
190: ok 6430
190: ok 6431
190: ok 6432
190: ok 6433
190: ok 6434
190: ok 6435
190: ok 6436
190: ok 6437
190: ok 6438
190: ok 6439
190: ok 6440
190: ok 6441
190: ok 6442
190: ok 6443
190: ok 6444
190: ok 6445
190: ok 6446
190: ok 6447
190: ok 6448
190: ok 6449
190: ok 6450
190: ok 6451
190: ok 6452
190: ok 6453
190: ok 6454
190: ok 6455
190: ok 6456
190: ok 6457
190: ok 6458
190: ok 6459
190: ok 6460
190: ok 6461
190: ok 6462
190: ok 6463
190: ok 6464
190: ok 6465
190: ok 6466
190: ok 6467
190: ok 6468
190: ok 6469
190: ok 6470
190: ok 6471
190: ok 6472
190: ok 6473
190: ok 6474
190: ok 6475
190: ok 6476
190: ok 6477
190: ok 6478
190: ok 6479
190: ok 6480
190: ok 6481
190: ok 6482
190: ok 6483
190: ok 6484
190: ok 6485
190: ok 6486
190: ok 6487
190: ok 6488
190: ok 6489
190: ok 6490
190: ok 6491
190: ok 6492
190: ok 6493
190: ok 6494
190: ok 6495
190: ok 6496
190: ok 6497
190: ok 6498
190: ok 6499
190: ok 6500
190: ok 6501
190: ok 6502
190: ok 6503
190: ok 6504
190: ok 6505
190: ok 6506
190: ok 6507
190: ok 6508
190: ok 6509
190: ok 6510
190: ok 6511
190: ok 6512
190: ok 6513
190: ok 6514
190: ok 6515
190: ok 6516
190: ok 6517
190: ok 6518
190: ok 6519
190: ok 6520
190: ok 6521
190: ok 6522
190: ok 6523
190: ok 6524
190: ok 6525
190: ok 6526
190: ok 6527
190: ok 6528
190: ok 6529
190: ok 6530
190: ok 6531
190: ok 6532
190: ok 6533
190: ok 6534
190: ok 6535
190: ok 6536
190: ok 6537
190: ok 6538
190: ok 6539
190: ok 6540
190: ok 6541
190: ok 6542
190: ok 6543
190: ok 6544
190: ok 6545
190: ok 6546
190: ok 6547
190: ok 6548
190: ok 6549
190: ok 6550
190: ok 6551
190: ok 6552
190: ok 6553
190: ok 6554
190: ok 6555
190: ok 6556
190: ok 6557
190: ok 6558
190: ok 6559
190: ok 6560
190: ok 6561
190: ok 6562
190: ok 6563
190: ok 6564
190: ok 6565
190: ok 6566
190: ok 6567
190: ok 6568
190: ok 6569
190: ok 6570
190: ok 6571
190: ok 6572
190: ok 6573
190: ok 6574
190: ok 6575
190: ok 6576
190: ok 6577
190: ok 6578
190: ok 6579
190: ok 6580
190: ok 6581
190: ok 6582
190: ok 6583
190: ok 6584
190: ok 6585
190: ok 6586
190: ok 6587
190: ok 6588
190: ok 6589
190: ok 6590
190: ok 6591
190: ok 6592
190: ok 6593
190: ok 6594
190: ok 6595
190: ok 6596
190: ok 6597
190: ok 6598
190: ok 6599
190: ok 6600
190: ok 6601
190: ok 6602
190: ok 6603
190: ok 6604
190: ok 6605
190: ok 6606
190: ok 6607
190: ok 6608
190: ok 6609
190: ok 6610
190: ok 6611
190: ok 6612
190: ok 6613
190: ok 6614
190: ok 6615
190: ok 6616
190: ok 6617
190: ok 6618
190: ok 6619
190: ok 6620
190: ok 6621
190: ok 6622
190: ok 6623
190: ok 6624
190: ok 6625
190: ok 6626
190: ok 6627
190: ok 6628
190: ok 6629
190: ok 6630
190: ok 6631
190: ok 6632
190: ok 6633
190: ok 6634
190: ok 6635
190: ok 6636
190: ok 6637
190: ok 6638
190: ok 6639
190: ok 6640
190: ok 6641
190: ok 6642
190: ok 6643
190: ok 6644
190: ok 6645
190: ok 6646
190: ok 6647
190: ok 6648
190: ok 6649
190: ok 6650
190: ok 6651
190: ok 6652
190: ok 6653
190: ok 6654
190: ok 6655
190: ok 6656
190: ok 6657
190: ok 6658
190: ok 6659
190: ok 6660
190: ok 6661
190: ok 6662
190: ok 6663
190: ok 6664
190: ok 6665
190: ok 6666
190: ok 6667
190: ok 6668
190: ok 6669
190: ok 6670
190: ok 6671
190: ok 6672
190: ok 6673
190: ok 6674
190: ok 6675
190: ok 6676
190: ok 6677
190: ok 6678
190: ok 6679
190: ok 6680
190: ok 6681
190: ok 6682
190: ok 6683
190: ok 6684
190: ok 6685
190: ok 6686
190: ok 6687
190: ok 6688
190: ok 6689
190: ok 6690
190: ok 6691
190: ok 6692
190: ok 6693
190: ok 6694
190: ok 6695
190: ok 6696
190: ok 6697
190: ok 6698
190: ok 6699
190: ok 6700
190: ok 6701
190: ok 6702
190: ok 6703
190: ok 6704
190: ok 6705
190: ok 6706
190: ok 6707
190: ok 6708
190: ok 6709
190: ok 6710
190: ok 6711
190: ok 6712
190: ok 6713
190: ok 6714
190: ok 6715
190: ok 6716
190: ok 6717
190: ok 6718
190: ok 6719
190: ok 6720
190: ok 6721
190: ok 6722
190: ok 6723
190: ok 6724
190: ok 6725
190: ok 6726
190: ok 6727
190: ok 6728
190: ok 6729
190: ok 6730
190: ok 6731
190: ok 6732
190: ok 6733
190: ok 6734
190: ok 6735
190: ok 6736
190: ok 6737
190: ok 6738
190: ok 6739
190: ok 6740
190: ok 6741
190: ok 6742
190: ok 6743
190: ok 6744
190: ok 6745
190: ok 6746
190: ok 6747
190: ok 6748
190: ok 6749
190: ok 6750
190: ok 6751
190: ok 6752
190: ok 6753
190: ok 6754
190: ok 6755
190: ok 6756
190: ok 6757
190: ok 6758
190: ok 6759
190: ok 6760
190: ok 6761
190: ok 6762
190: ok 6763
190: ok 6764
190: ok 6765
190: ok 6766
190: ok 6767
190: ok 6768
190: ok 6769
190: ok 6770
190: ok 6771
190: ok 6772
190: ok 6773
190: ok 6774
190: ok 6775
190: ok 6776
190: ok 6777
190: ok 6778
190: ok 6779
190: ok 6780
190: ok 6781
190: ok 6782
190: ok 6783
190: ok 6784
190: ok 6785
190: ok 6786
190: ok 6787
190: ok 6788
190: ok 6789
190: ok 6790
190: ok 6791
190: ok 6792
190: ok 6793
190: ok 6794
190: ok 6795
190: ok 6796
190: ok 6797
190: ok 6798
190: ok 6799
190: ok 6800
190: ok 6801
190: ok 6802
190: ok 6803
190: ok 6804
190: ok 6805
190: ok 6806
190: ok 6807
190: ok 6808
190: ok 6809
190: ok 6810
190: ok 6811
190: ok 6812
190: ok 6813
190: ok 6814
190: ok 6815
190: ok 6816
190: ok 6817
190: ok 6818
190: ok 6819
190: ok 6820
190: ok 6821
190: ok 6822
190: ok 6823
190: ok 6824
190: ok 6825
190: ok 6826
190: ok 6827
190: ok 6828
190: ok 6829
190: ok 6830
190: ok 6831
190: ok 6832
190: ok 6833
190: ok 6834
190: ok 6835
190: ok 6836
190: ok 6837
190: ok 6838
190: ok 6839
190: ok 6840
190: ok 6841
190: ok 6842
190: ok 6843
190: ok 6844
190: ok 6845
190: ok 6846
190: ok 6847
190: ok 6848
190: ok 6849
190: ok 6850
190: ok 6851
190: ok 6852
190: ok 6853
190: ok 6854
190: ok 6855
190: ok 6856
190: ok 6857
190: ok 6858
190: ok 6859
190: ok 6860
190: ok 6861
190: ok 6862
190: ok 6863
190: ok 6864
190: ok 6865
190: ok 6866
190: ok 6867
190: ok 6868
190: ok 6869
190: ok 6870
190: ok 6871
190: ok 6872
190: ok 6873
190: ok 6874
190: ok 6875
190: ok 6876
190: ok 6877
190: ok 6878
190: ok 6879
190: ok 6880
190: ok 6881
190: ok 6882
190: ok 6883
190: ok 6884
190: ok 6885
190: ok 6886
190: ok 6887
190: ok 6888
190: ok 6889
190: ok 6890
190: ok 6891
190: ok 6892
190: ok 6893
190: ok 6894
190: ok 6895
190: ok 6896
190: ok 6897
190: ok 6898
190: ok 6899
190: ok 6900
190: ok 6901
190: ok 6902
190: ok 6903
190: ok 6904
190: ok 6905
190: ok 6906
190: ok 6907
190: ok 6908
190: ok 6909
190: ok 6910
190: ok 6911
190: ok 6912
190: ok 6913
190: ok 6914
190: ok 6915
190: ok 6916
190: ok 6917
190: ok 6918
190: ok 6919
190: ok 6920
190: ok 6921
190: ok 6922
190: ok 6923
190: ok 6924
190: ok 6925
190: ok 6926
190: ok 6927
190: ok 6928
190: ok 6929
190: ok 6930
190: ok 6931
190: ok 6932
190: ok 6933
190: ok 6934
190: ok 6935
190: ok 6936
190: ok 6937
190: ok 6938
190: ok 6939
190: ok 6940
190: ok 6941
190: ok 6942
190: ok 6943
190: ok 6944
190: ok 6945
190: ok 6946
190: ok 6947
190: ok 6948
190: ok 6949
190: ok 6950
190: ok 6951
190: ok 6952
190: ok 6953
190: ok 6954
190: ok 6955
190: ok 6956
190: ok 6957
190: ok 6958
190: ok 6959
190: ok 6960
190: ok 6961
190: ok 6962
190: ok 6963
190: ok 6964
190: ok 6965
190: ok 6966
190: ok 6967
190: ok 6968
190: ok 6969
190: ok 6970
190: ok 6971
190: ok 6972
190: ok 6973
190: ok 6974
190: ok 6975
190: ok 6976
190: ok 6977
190: ok 6978
190: ok 6979
190: ok 6980
190: ok 6981
190: ok 6982
190: ok 6983
190: ok 6984
190: ok 6985
190: ok 6986
190: ok 6987
190: ok 6988
190: ok 6989
190: ok 6990
190: ok 6991
190: ok 6992
190: ok 6993
190: ok 6994
190: ok 6995
190: ok 6996
190: ok 6997
190: ok 6998
190: ok 6999
190: ok 7000
190: ok 7001
190: ok 7002
190: ok 7003
190: ok 7004
190: ok 7005
190: ok 7006
190: ok 7007
190: ok 7008
190: ok 7009
190: ok 7010
190: ok 7011
190: ok 7012
190: ok 7013
190: ok 7014
190: ok 7015
190: ok 7016
190: ok 7017
190: ok 7018
190: ok 7019
190: ok 7020
190: ok 7021
190: ok 7022
190: ok 7023
190: ok 7024
190: ok 7025
190: ok 7026
190: ok 7027
190: ok 7028
190: ok 7029
190: ok 7030
190: ok 7031
190: ok 7032
190: ok 7033
190: ok 7034
190: ok 7035
190: ok 7036
190: ok 7037
190: ok 7038
190: ok 7039
190: ok 7040
190: ok 7041
190: ok 7042
190: ok 7043
190: ok 7044
190: ok 7045
190: ok 7046
190: ok 7047
190: ok 7048
190: ok 7049
190: ok 7050
190: ok 7051
190: ok 7052
190: ok 7053
190: ok 7054
190: ok 7055
190: ok 7056
190: ok 7057
190: ok 7058
190: ok 7059
190: ok 7060
190: ok 7061
190: ok 7062
190: ok 7063
190: ok 7064
190: ok 7065
190: ok 7066
190: ok 7067
190: ok 7068
190: ok 7069
190: ok 7070
190: ok 7071
190: ok 7072
190: ok 7073
190: ok 7074
190: ok 7075
190: ok 7076
190: ok 7077
190: ok 7078
190: ok 7079
190: ok 7080
190: ok 7081
190: ok 7082
190: ok 7083
190: ok 7084
190: ok 7085
190: ok 7086
190: ok 7087
190: ok 7088
190: ok 7089
190: ok 7090
190: ok 7091
190: ok 7092
190: ok 7093
190: ok 7094
190: ok 7095
190: ok 7096
190: ok 7097
190: ok 7098
190: ok 7099
190: ok 7100
190: ok 7101
190: ok 7102
190: ok 7103
190: ok 7104
190: ok 7105
190: ok 7106
190: ok 7107
190: ok 7108
190: ok 7109
190: ok 7110
190: ok 7111
190: ok 7112
190: ok 7113
190: ok 7114
190: ok 7115
190: ok 7116
190: ok 7117
190: ok 7118
190: ok 7119
190: ok 7120
190: ok 7121
190: ok 7122
190: ok 7123
190: ok 7124
190: ok 7125
190: ok 7126
190: ok 7127
190: ok 7128
190: ok 7129
190: ok 7130
190: ok 7131
190: ok 7132
190: ok 7133
190: ok 7134
190: ok 7135
190: ok 7136
190: ok 7137
190: ok 7138
190: ok 7139
190: ok 7140
190: ok 7141
190: ok 7142
190: ok 7143
190: ok 7144
190: ok 7145
190: ok 7146
190: ok 7147
190: ok 7148
190: ok 7149
190: ok 7150
190: ok 7151
190: ok 7152
190: ok 7153
190: ok 7154
190: ok 7155
190: ok 7156
190: ok 7157
190: ok 7158
190: ok 7159
190: ok 7160
190: ok 7161
190: ok 7162
190: ok 7163
190: ok 7164
190: ok 7165
190: ok 7166
190: ok 7167
190: ok 7168
190: ok 7169
190: ok 7170
190: ok 7171
190: ok 7172
190: ok 7173
190: ok 7174
190: ok 7175
190: ok 7176
190: ok 7177
190: ok 7178
190: ok 7179
190: ok 7180
190: ok 7181
190: ok 7182
190: ok 7183
190: ok 7184
190: ok 7185
190: ok 7186
190: ok 7187
190: ok 7188
190: ok 7189
190: ok 7190
190: ok 7191
190: ok 7192
190: ok 7193
190: ok 7194
190: ok 7195
190: ok 7196
190: ok 7197
190: ok 7198
190: ok 7199
190: ok 7200
190: ok 7201
190: ok 7202
190: ok 7203
190: ok 7204
190: ok 7205
190: ok 7206
190: ok 7207
190: ok 7208
190: ok 7209
190: ok 7210
190: ok 7211
190: ok 7212
190: ok 7213
190: ok 7214
190: ok 7215
190: ok 7216
190: ok 7217
190: ok 7218
190: ok 7219
190: ok 7220
190: ok 7221
190: ok 7222
190: ok 7223
190: ok 7224
190: ok 7225
190: ok 7226
190: ok 7227
190: ok 7228
190: ok 7229
190: ok 7230
190: ok 7231
190: ok 7232
190: ok 7233
190: ok 7234
190: ok 7235
190: ok 7236
190: ok 7237
190: ok 7238
190: ok 7239
190: ok 7240
190: ok 7241
190: ok 7242
190: ok 7243
190: ok 7244
190: ok 7245
190: ok 7246
190: ok 7247
190: ok 7248
190: ok 7249
190: ok 7250
190: ok 7251
190: ok 7252
190: ok 7253
190: ok 7254
190: ok 7255
190: ok 7256
190: ok 7257
190: ok 7258
190: ok 7259
190: ok 7260
190: ok 7261
190: ok 7262
190: ok 7263
190: ok 7264
190: ok 7265
190: ok 7266
190: ok 7267
190: ok 7268
190: ok 7269
190: ok 7270
190: ok 7271
190: ok 7272
190: ok 7273
190: ok 7274
190: ok 7275
190: ok 7276
190: ok 7277
190: ok 7278
190: ok 7279
190: ok 7280
190: ok 7281
190: ok 7282
190: ok 7283
190: ok 7284
190: ok 7285
190: ok 7286
190: ok 7287
190: ok 7288
190: ok 7289
190: ok 7290
190: ok 7291
190: ok 7292
190: ok 7293
190: ok 7294
190: ok 7295
190: ok 7296
190: ok 7297
190: ok 7298
190: ok 7299
190: ok 7300
190: ok 7301
190: ok 7302
190: ok 7303
190: ok 7304
190: ok 7305
190: ok 7306
190: ok 7307
190: ok 7308
190: ok 7309
190: ok 7310
190: ok 7311
190: ok 7312
190: ok 7313
190: ok 7314
190: ok 7315
190: ok 7316
190: ok 7317
190: ok 7318
190: ok 7319
190: ok 7320
190: ok 7321
190: ok 7322
190: ok 7323
190: ok 7324
190: ok 7325
190: ok 7326
190: ok 7327
190: ok 7328
190: ok 7329
190: ok 7330
190: ok 7331
190: ok 7332
190: ok 7333
190: ok 7334
190: ok 7335
190: ok 7336
190: ok 7337
190: ok 7338
190: ok 7339
190: ok 7340
190: ok 7341
190: ok 7342
190: ok 7343
190: ok 7344
190: ok 7345
190: ok 7346
190: ok 7347
190: ok 7348
190: ok 7349
190: ok 7350
190: ok 7351
190: ok 7352
190: ok 7353
190: ok 7354
190: ok 7355
190: ok 7356
190: ok 7357
190: ok 7358
190: ok 7359
190: ok 7360
190: ok 7361
190: ok 7362
190: ok 7363
190: ok 7364
190: ok 7365
190: ok 7366
190: ok 7367
190: ok 7368
190: ok 7369
190: ok 7370
190: ok 7371
190: ok 7372
190: ok 7373
190: ok 7374
190: ok 7375
190: ok 7376
190: ok 7377
190: ok 7378
190: ok 7379
190: ok 7380
190: ok 7381
190: ok 7382
190: ok 7383
190: ok 7384
190: ok 7385
190: ok 7386
190: ok 7387
190: ok 7388
190: ok 7389
190: ok 7390
190: ok 7391
190: ok 7392
190: ok 7393
190: ok 7394
190: ok 7395
190: ok 7396
190: ok 7397
190: ok 7398
190: ok 7399
190: ok 7400
190: ok 7401
190: ok 7402
190: ok 7403
190: ok 7404
190: ok 7405
190: ok 7406
190: ok 7407
190: ok 7408
190: ok 7409
190: ok 7410
190: ok 7411
190: ok 7412
190: ok 7413
190: ok 7414
190: ok 7415
190: ok 7416
190: ok 7417
190: ok 7418
190: ok 7419
190: ok 7420
190: ok 7421
190: ok 7422
190: ok 7423
190: ok 7424
190: ok 7425
190: ok 7426
190: ok 7427
190: ok 7428
190: ok 7429
190: ok 7430
190: ok 7431
190: ok 7432
190: ok 7433
190: ok 7434
190: ok 7435
190: ok 7436
190: ok 7437
190: ok 7438
190: ok 7439
190: ok 7440
190: ok 7441
190: ok 7442
190: ok 7443
190: ok 7444
190: ok 7445
190: ok 7446
190: ok 7447
190: ok 7448
190: ok 7449
190: ok 7450
190: ok 7451
190: ok 7452
190: ok 7453
190: ok 7454
190: ok 7455
190: ok 7456
190: ok 7457
190: ok 7458
190: ok 7459
190: ok 7460
190: ok 7461
190: ok 7462
190: ok 7463
190: ok 7464
190: ok 7465
190: ok 7466
190: ok 7467
190: ok 7468
190: ok 7469
190: ok 7470
190: ok 7471
190: ok 7472
190: ok 7473
190: ok 7474
190: ok 7475
190: ok 7476
190: ok 7477
190: ok 7478
190: ok 7479
190: ok 7480
190: ok 7481
190: ok 7482
190: ok 7483
190: ok 7484
190: ok 7485
190: ok 7486
190: ok 7487
190: ok 7488
190: ok 7489
190: ok 7490
190: ok 7491
190: ok 7492
190: ok 7493
190: ok 7494
190: ok 7495
190: ok 7496
190: ok 7497
190: ok 7498
190: ok 7499
190: ok 7500
190: ok 7501
190: ok 7502
190: ok 7503
190: ok 7504
190: ok 7505
190: ok 7506
190: ok 7507
190: ok 7508
190: ok 7509
190: ok 7510
190: ok 7511
190: ok 7512
190: ok 7513
190: ok 7514
190: ok 7515
190: ok 7516
190: ok 7517
190: ok 7518
190: ok 7519
190: ok 7520
190: ok 7521
190: ok 7522
190: ok 7523
190: ok 7524
190: ok 7525
190: ok 7526
190: ok 7527
190: ok 7528
190: ok 7529
190: ok 7530
190: ok 7531
190: ok 7532
190: ok 7533
190: ok 7534
190: ok 7535
190: ok 7536
190: ok 7537
190: ok 7538
190: ok 7539
190: ok 7540
190: ok 7541
190: ok 7542
190: ok 7543
190: ok 7544
190: ok 7545
190: ok 7546
190: ok 7547
190: ok 7548
190: ok 7549
190: ok 7550
190: ok 7551
190: ok 7552
190: ok 7553
190: ok 7554
190: ok 7555
190: ok 7556
190: ok 7557
190: ok 7558
190: ok 7559
190: ok 7560
190: ok 7561
190: ok 7562
190: ok 7563
190: ok 7564
190: ok 7565
190: ok 7566
190: ok 7567
190: ok 7568
190: ok 7569
190: ok 7570
190: ok 7571
190: ok 7572
190: ok 7573
190: ok 7574
190: ok 7575
190: ok 7576
190: ok 7577
190: ok 7578
190: ok 7579
190: ok 7580
190: ok 7581
190: ok 7582
190: ok 7583
190: ok 7584
190: ok 7585
190: ok 7586
190: ok 7587
190: ok 7588
190: ok 7589
190: ok 7590
190: ok 7591
190: ok 7592
190: ok 7593
190: ok 7594
190: ok 7595
190: ok 7596
190: ok 7597
190: ok 7598
190: ok 7599
190: ok 7600
190: ok 7601
190: ok 7602
190: ok 7603
190: ok 7604
190: ok 7605
190: ok 7606
190: ok 7607
190: ok 7608
190: ok 7609
190: ok 7610
190: ok 7611
190: ok 7612
190: ok 7613
190: ok 7614
190: ok 7615
190: ok 7616
190: ok 7617
190: ok 7618
190: ok 7619
190: ok 7620
190: ok 7621
190: ok 7622
190: ok 7623
190: ok 7624
190: ok 7625
190: ok 7626
190: ok 7627
190: ok 7628
190: ok 7629
190: ok 7630
190: ok 7631
190: ok 7632
190: ok 7633
190: ok 7634
190: ok 7635
190: ok 7636
190: ok 7637
190: ok 7638
190: ok 7639
190: ok 7640
190: ok 7641
190: ok 7642
190: ok 7643
190: ok 7644
190: ok 7645
190: ok 7646
190: ok 7647
190: ok 7648
190: ok 7649
190: ok 7650
190: ok 7651
190: ok 7652
190: ok 7653
190: ok 7654
190: ok 7655
190: ok 7656
190: ok 7657
190: ok 7658
190: ok 7659
190: ok 7660
190: ok 7661
190: ok 7662
190: ok 7663
190: ok 7664
190: ok 7665
190: ok 7666
190: ok 7667
190: ok 7668
190: ok 7669
190: ok 7670
190: ok 7671
190: ok 7672
190: ok 7673
190: ok 7674
190: ok 7675
190: ok 7676
190: ok 7677
190: ok 7678
190: ok 7679
190: ok 7680
190: ok 7681
190: ok 7682
190: ok 7683
190: ok 7684
190: ok 7685
190: ok 7686
190: ok 7687
190: ok 7688
190: ok 7689
190: ok 7690
190: ok 7691
190: ok 7692
190: ok 7693
190: ok 7694
190: ok 7695
190: ok 7696
190: ok 7697
190: ok 7698
190: ok 7699
190: ok 7700
190: ok 7701
190: ok 7702
190: ok 7703
190: ok 7704
190: ok 7705
190: ok 7706
190: ok 7707
190: ok 7708
190: ok 7709
190: ok 7710
190: ok 7711
190: ok 7712
190: ok 7713
190: ok 7714
190: ok 7715
190: ok 7716
190: ok 7717
190: ok 7718
190: ok 7719
190: ok 7720
190: ok 7721
190: ok 7722
190: ok 7723
190: ok 7724
190: ok 7725
190: ok 7726
190: ok 7727
190: ok 7728
190: ok 7729
190: ok 7730
190: ok 7731
190: ok 7732
190: ok 7733
190: ok 7734
190: ok 7735
190: ok 7736
190: ok 7737
190: ok 7738
190: ok 7739
190: ok 7740
190: ok 7741
190: ok 7742
190: ok 7743
190: ok 7744
190: ok 7745
190: ok 7746
190: ok 7747
190: ok 7748
190: ok 7749
190: ok 7750
190: ok 7751
190: ok 7752
190: ok 7753
190: ok 7754
190: ok 7755
190: ok 7756
190: ok 7757
190: ok 7758
190: ok 7759
190: ok 7760
190: ok 7761
190: ok 7762
190: ok 7763
190: ok 7764
190: ok 7765
190: ok 7766
190: ok 7767
190: ok 7768
190: ok 7769
190: ok 7770
190: ok 7771
190: ok 7772
190: ok 7773
190: ok 7774
190: ok 7775
190: ok 7776
190: ok 7777
190: ok 7778
190: ok 7779
190: ok 7780
190: ok 7781
190: ok 7782
190: ok 7783
190: ok 7784
190: ok 7785
190: ok 7786
190: ok 7787
190: ok 7788
190: ok 7789
190: ok 7790
190: ok 7791
190: ok 7792
190: ok 7793
190: ok 7794
190: ok 7795
190: ok 7796
190: ok 7797
190: ok 7798
190: ok 7799
190: ok 7800
190: ok 7801
190: ok 7802
190: ok 7803
190: ok 7804
190: ok 7805
190: ok 7806
190: ok 7807
190: ok 7808
190: ok 7809
190: ok 7810
190: ok 7811
190: ok 7812
190: ok 7813
190: ok 7814
190: ok 7815
190: ok 7816
190: ok 7817
190: ok 7818
190: ok 7819
190: ok 7820
190: ok 7821
190: ok 7822
190: ok 7823
190: ok 7824
190: ok 7825
190: ok 7826
190: ok 7827
190: ok 7828
190: ok 7829
190: ok 7830
190: ok 7831
190: ok 7832
190: ok 7833
190: ok 7834
190: ok 7835
190: ok 7836
190: ok 7837
190: ok 7838
190: ok 7839
190: ok 7840
190: ok 7841
190: ok 7842
190: ok 7843
190: ok 7844
190: ok 7845
190: ok 7846
190: ok 7847
190: ok 7848
190: ok 7849
190: ok 7850
190: ok 7851
190: ok 7852
190: ok 7853
190: ok 7854
190: ok 7855
190: ok 7856
190: ok 7857
190: ok 7858
190: ok 7859
190: ok 7860
190: ok 7861
190: ok 7862
190: ok 7863
190: ok 7864
190: ok 7865
190: ok 7866
190: ok 7867
190: ok 7868
190: ok 7869
190: ok 7870
190: ok 7871
190: ok 7872
190: ok 7873
190: ok 7874
190: ok 7875
190: ok 7876
190: ok 7877
190: ok 7878
190: ok 7879
190: ok 7880
190: ok 7881
190: ok 7882
190: ok 7883
190: ok 7884
190: ok 7885
190: ok 7886
190: ok 7887
190: ok 7888
190: ok 7889
190: ok 7890
190: ok 7891
190: ok 7892
190: ok 7893
190: ok 7894
190: ok 7895
190: ok 7896
190: ok 7897
190: ok 7898
190: ok 7899
190: ok 7900
190: ok 7901
190: ok 7902
190: ok 7903
190: ok 7904
190: ok 7905
190: ok 7906
190: ok 7907
190: ok 7908
190: ok 7909
190: ok 7910
190: ok 7911
190: ok 7912
190: ok 7913
190: ok 7914
190: ok 7915
190: ok 7916
190: ok 7917
190: ok 7918
190: ok 7919
190: ok 7920
190: ok 7921
190: ok 7922
190: ok 7923
190: ok 7924
190: ok 7925
190: ok 7926
190: ok 7927
190: ok 7928
190: ok 7929
190: ok 7930
190: ok 7931
190: ok 7932
190: ok 7933
190: ok 7934
190: ok 7935
190: ok 7936
190: ok 7937
190: ok 7938
190: ok 7939
190: ok 7940
190: ok 7941
190: ok 7942
190: ok 7943
190: ok 7944
190: ok 7945
190: ok 7946
190: ok 7947
190: ok 7948
190: ok 7949
190: ok 7950
190: ok 7951
190: ok 7952
190: ok 7953
190: ok 7954
190: ok 7955
190: ok 7956
190: ok 7957
190: ok 7958
190: ok 7959
190: ok 7960
190: ok 7961
190: ok 7962
190: ok 7963
190: ok 7964
190: ok 7965
190: ok 7966
190: ok 7967
190: ok 7968
190: ok 7969
190: ok 7970
190: ok 7971
190: ok 7972
190: ok 7973
190: ok 7974
190: ok 7975
190: ok 7976
190: ok 7977
190: ok 7978
190: ok 7979
190: ok 7980
190: ok 7981
190: ok 7982
190: ok 7983
190: ok 7984
190: ok 7985
190: ok 7986
190: ok 7987
190: ok 7988
190: ok 7989
190: ok 7990
190: ok 7991
190: ok 7992
190: ok 7993
190: ok 7994
190: ok 7995
190: ok 7996
190: ok 7997
190: ok 7998
190: ok 7999
190: ok 8000
190: ok 8001
190: ok 8002
190: ok 8003
190: ok 8004
190: ok 8005
190: ok 8006
190: ok 8007
190: ok 8008
190: ok 8009
190: ok 8010
190: ok 8011
190: ok 8012
190: ok 8013
190: ok 8014
190: ok 8015
190: ok 8016
190: ok 8017
190: ok 8018
190: ok 8019
190: ok 8020
190: ok 8021
190: ok 8022
190: ok 8023
190: ok 8024
190: ok 8025
190: ok 8026
190: ok 8027
190: ok 8028
190: ok 8029
190: ok 8030
190: ok 8031
190: ok 8032
190: ok 8033
190: ok 8034
190: ok 8035
190: ok 8036
190: ok 8037
190: ok 8038
190: ok 8039
190: ok 8040
190: ok 8041
190: ok 8042
190: ok 8043
190: ok 8044
190: ok 8045
190: ok 8046
190: ok 8047
190: ok 8048
190: ok 8049
190: ok 8050
190: ok 8051
190: ok 8052
190: ok 8053
190: ok 8054
190: ok 8055
190: ok 8056
190: ok 8057
190: ok 8058
190: ok 8059
190: ok 8060
190: ok 8061
190: ok 8062
190: ok 8063
190: ok 8064
190: ok 8065
190: ok 8066
190: ok 8067
190: ok 8068
190: ok 8069
190: ok 8070
190: ok 8071
190: ok 8072
190: ok 8073
190: ok 8074
190: ok 8075
190: ok 8076
190: ok 8077
190: ok 8078
190: ok 8079
190: ok 8080
190: ok 8081
190: ok 8082
190: ok 8083
190: ok 8084
190: ok 8085
190: ok 8086
190: ok 8087
190: ok 8088
190: ok 8089
190: ok 8090
190: ok 8091
190: ok 8092
190: ok 8093
190: ok 8094
190: ok 8095
190: ok 8096
190: ok 8097
190: ok 8098
190: ok 8099
190: ok 8100
190: ok 8101
190: ok 8102
190: ok 8103
190: ok 8104
190: ok 8105
190: ok 8106
190: ok 8107
190: ok 8108
190: ok 8109
190: ok 8110
190: ok 8111
190: ok 8112
190: ok 8113
190: ok 8114
190: ok 8115
190: ok 8116
190: ok 8117
190: ok 8118
190: ok 8119
190: ok 8120
190: ok 8121
190: ok 8122
190: ok 8123
190: ok 8124
190: ok 8125
190: ok 8126
190: ok 8127
190: ok 8128
190: ok 8129
190: ok 8130
190: ok 8131
190: ok 8132
190: ok 8133
190: ok 8134
190: ok 8135
190: ok 8136
190: ok 8137
190: ok 8138
190: ok 8139
190: ok 8140
190: ok 8141
190: ok 8142
190: ok 8143
190: ok 8144
190: ok 8145
190: ok 8146
190: ok 8147
190: ok 8148
190: ok 8149
190: ok 8150
190: ok 8151
190: ok 8152
190: ok 8153
190: ok 8154
190: ok 8155
190: ok 8156
190: ok 8157
190: ok 8158
190: ok 8159
190: ok 8160
190: ok 8161
190: ok 8162
190: ok 8163
190: ok 8164
190: ok 8165
190: ok 8166
190: ok 8167
190: ok 8168
190: ok 8169
190: ok 8170
190: ok 8171
190: ok 8172
190: ok 8173
190: ok 8174
190: ok 8175
190: ok 8176
190: ok 8177
190: ok 8178
190: ok 8179
190: ok 8180
190: ok 8181
190: ok 8182
190: ok 8183
190: ok 8184
190: ok 8185
190: ok 8186
190: ok 8187
190: ok 8188
190: ok 8189
190: ok 8190
190: ok 8191
190: ok 8192
190: ok 8193
190: ok 8194
190: ok 8195
190: ok 8196
190: ok 8197
190: ok 8198
190: ok 8199
190: ok 8200
190: ok 8201
190: ok 8202
190: ok 8203
190: ok 8204
190: ok 8205
190: ok 8206
190: ok 8207
190: ok 8208
190: ok 8209
190: ok 8210
190: ok 8211
190: ok 8212
190: ok 8213
190: ok 8214
190: ok 8215
190: ok 8216
190: ok 8217
190: ok 8218
190: ok 8219
190: ok 8220
190: ok 8221
190: ok 8222
190: ok 8223
190: ok 8224
190: ok 8225
190: ok 8226
190: ok 8227
190: ok 8228
190: ok 8229
190: ok 8230
190: ok 8231
190: ok 8232
190: ok 8233
190: ok 8234
190: ok 8235
190: ok 8236
190: ok 8237
190: ok 8238
190: ok 8239
190: ok 8240
190: ok 8241
190: ok 8242
190: ok 8243
190: ok 8244
190: ok 8245
190: ok 8246
190: ok 8247
190: ok 8248
190: ok 8249
190: ok 8250
190: ok 8251
190: ok 8252
190: ok 8253
190: ok 8254
190: ok 8255
190: ok 8256
190: ok 8257
190: ok 8258
190: ok 8259
190: ok 8260
190: ok 8261
190: ok 8262
190: ok 8263
190: ok 8264
190: ok 8265
190: ok 8266
190: ok 8267
190: ok 8268
190: ok 8269
190: ok 8270
190: ok 8271
190: ok 8272
190: ok 8273
190: ok 8274
190: ok 8275
190: ok 8276
190: ok 8277
190: ok 8278
190: ok 8279
190: ok 8280
190: ok 8281
190: ok 8282
190: ok 8283
190: ok 8284
190: ok 8285
190: ok 8286
190: ok 8287
190: ok 8288
190: ok 8289
190: ok 8290
190: ok 8291
190: ok 8292
190: ok 8293
190: ok 8294
190: ok 8295
190: ok 8296
190: ok 8297
190: ok 8298
190: ok 8299
190: ok 8300
190: ok 8301
190: ok 8302
190: ok 8303
190: ok 8304
190: ok 8305
190: ok 8306
190: ok 8307
190: ok 8308
190: ok 8309
190: ok 8310
190: ok 8311
190: ok 8312
190: ok 8313
190: ok 8314
190: ok 8315
190: ok 8316
190: ok 8317
190: ok 8318
190: ok 8319
190: ok 8320
190: ok 8321
190: ok 8322
190: ok 8323
190: ok 8324
190: ok 8325
190: ok 8326
190: ok 8327
190: ok 8328
190: ok 8329
190: ok 8330
190: ok 8331
190: ok 8332
190: ok 8333
190: ok 8334
190: ok 8335
190: ok 8336
190: ok 8337
190: ok 8338
190: ok 8339
190: ok 8340
190: ok 8341
190: ok 8342
190: ok 8343
190: ok 8344
190: ok 8345
190: ok 8346
190: ok 8347
190: ok 8348
190: ok 8349
190: ok 8350
190: ok 8351
190: ok 8352
190: ok 8353
190: ok 8354
190: ok 8355
190: ok 8356
190: ok 8357
190: ok 8358
190: ok 8359
190: ok 8360
190: ok 8361
190: ok 8362
190: ok 8363
190: ok 8364
190: ok 8365
190: ok 8366
190: ok 8367
190: ok 8368
190: ok 8369
190: ok 8370
190: ok 8371
190: ok 8372
190: ok 8373
190: ok 8374
190: ok 8375
190: ok 8376
190: ok 8377
190: ok 8378
190: ok 8379
190: ok 8380
190: ok 8381
190: ok 8382
190: ok 8383
190: ok 8384
190: ok 8385
190: ok 8386
190: ok 8387
190: ok 8388
190: ok 8389
190: ok 8390
190: ok 8391
190: ok 8392
190: ok 8393
190: ok 8394
190: ok 8395
190: ok 8396
190: ok 8397
190: ok 8398
190: ok 8399
190: ok 8400
190: ok 8401
190: ok 8402
190: ok 8403
190: ok 8404
190: ok 8405
190: ok 8406
190: ok 8407
190: ok 8408
190: ok 8409
190: ok 8410
190: ok 8411
190: ok 8412
190: ok 8413
190: ok 8414
190: ok 8415
190: ok 8416
190: ok 8417
190: ok 8418
190: ok 8419
190: ok 8420
190: ok 8421
190: ok 8422
190: ok 8423
190: ok 8424
190: ok 8425
190: ok 8426
190: ok 8427
190: ok 8428
190: ok 8429
190: ok 8430
190: ok 8431
190: ok 8432
190: ok 8433
190: ok 8434
190: ok 8435
190: ok 8436
190: ok 8437
190: ok 8438
190: ok 8439
190: ok 8440
190: ok 8441
190: ok 8442
190: ok 8443
190: ok 8444
190: ok 8445
190: ok 8446
190: ok 8447
190: ok 8448
190: ok 8449
190: ok 8450
190: ok 8451
190: ok 8452
190: ok 8453
190: ok 8454
190: ok 8455
190: ok 8456
190: ok 8457
190: ok 8458
190: ok 8459
190: ok 8460
190: ok 8461
190: ok 8462
190: ok 8463
190: ok 8464
190: ok 8465
190: ok 8466
190: ok 8467
190: ok 8468
190: ok 8469
190: ok 8470
190: ok 8471
190: ok 8472
190: ok 8473
190: ok 8474
190: ok 8475
190: ok 8476
190: ok 8477
190: ok 8478
190: ok 8479
190: ok 8480
190: ok 8481
190: ok 8482
190: ok 8483
190: ok 8484
190: ok 8485
190: ok 8486
190: ok 8487
190: ok 8488
190: ok 8489
190: ok 8490
190: ok 8491
190: ok 8492
190: ok 8493
190: ok 8494
190: ok 8495
190: ok 8496
190: ok 8497
190: ok 8498
190: ok 8499
190: ok 8500
190: ok 8501
190: ok 8502
190: ok 8503
190: ok 8504
190: ok 8505
190: ok 8506
190: ok 8507
190: ok 8508
190: ok 8509
190: ok 8510
190: ok 8511
190: ok 8512
190: ok 8513
190: ok 8514
190: ok 8515
190: ok 8516
190: ok 8517
190: ok 8518
190: ok 8519
190: ok 8520
190: ok 8521
190: ok 8522
190: ok 8523
190: ok 8524
190: ok 8525
190: ok 8526
190: ok 8527
190: ok 8528
190: ok 8529
190: ok 8530
190: ok 8531
190: ok 8532
190: ok 8533
190: ok 8534
190: ok 8535
190: ok 8536
190: ok 8537
190: ok 8538
190: ok 8539
190: ok 8540
190: ok 8541
190: ok 8542
190: ok 8543
190: ok 8544
190: ok 8545
190: ok 8546
190: ok 8547
190: ok 8548
190: ok 8549
190: ok 8550
190: ok 8551
190: ok 8552
190: ok 8553
190: ok 8554
190: ok 8555
190: ok 8556
190: ok 8557
190: ok 8558
190: ok 8559
190: ok 8560
190: ok 8561
190: ok 8562
190: ok 8563
190: ok 8564
190: ok 8565
190: ok 8566
190: ok 8567
190: ok 8568
190: ok 8569
190: ok 8570
190: ok 8571
190: ok 8572
190: ok 8573
190: ok 8574
190: ok 8575
190: ok 8576
190: ok 8577
190: ok 8578
190: ok 8579
190: ok 8580
190: ok 8581
190: ok 8582
190: ok 8583
190: ok 8584
190: ok 8585
190: ok 8586
190: ok 8587
190: ok 8588
190: ok 8589
190: ok 8590
190: ok 8591
190: ok 8592
190: ok 8593
190: ok 8594
190: ok 8595
190: ok 8596
190: ok 8597
190: ok 8598
190: ok 8599
190: ok 8600
190: ok 8601
190: ok 8602
190: ok 8603
190: ok 8604
190: ok 8605
190: ok 8606
190: ok 8607
190: ok 8608
190: ok 8609
190: ok 8610
190: ok 8611
190: ok 8612
190: ok 8613
190: ok 8614
190: ok 8615
190: ok 8616
190: ok 8617
190: ok 8618
190: ok 8619
190: ok 8620
190: ok 8621
190: ok 8622
190: ok 8623
190: ok 8624
190: ok 8625
190: ok 8626
190: ok 8627
190: ok 8628
190: ok 8629
190: ok 8630
190: ok 8631
190: ok 8632
190: ok 8633
190: ok 8634
190: ok 8635
190: ok 8636
190: ok 8637
190: ok 8638
190: ok 8639
190: ok 8640
190: ok 8641
190: ok 8642
190: ok 8643
190: ok 8644
190: ok 8645
190: ok 8646
190: ok 8647
190: ok 8648
190: ok 8649
190: ok 8650
190: ok 8651
190: ok 8652
190: ok 8653
190: ok 8654
190: ok 8655
190: ok 8656
190: ok 8657
190: ok 8658
190: ok 8659
190: ok 8660
190: ok 8661
190: ok 8662
190: ok 8663
190: ok 8664
190: ok 8665
190: ok 8666
190: ok 8667
190: ok 8668
190: ok 8669
190: ok 8670
190: ok 8671
190: ok 8672
190: ok 8673
190: ok 8674
190: ok 8675
190: ok 8676
190: ok 8677
190: ok 8678
190: ok 8679
190: ok 8680
190: ok 8681
190: ok 8682
190: ok 8683
190: ok 8684
190: ok 8685
190: ok 8686
190: ok 8687
190: ok 8688
190: ok 8689
190: ok 8690
190: ok 8691
190: ok 8692
190: ok 8693
190: ok 8694
190: ok 8695
190: ok 8696
190: ok 8697
190: ok 8698
190: ok 8699
190: ok 8700
190: ok 8701
190: ok 8702
190: ok 8703
190: ok 8704
190: ok 8705
190: ok 8706
190: ok 8707
190: ok 8708
190: ok 8709
190: ok 8710
190: ok 8711
190: ok 8712
190: ok 8713
190: ok 8714
190: ok 8715
190: ok 8716
190: ok 8717
190: ok 8718
190: ok 8719
190: ok 8720
190: ok 8721
190: ok 8722
190: ok 8723
190: ok 8724
190: ok 8725
190: ok 8726
190: ok 8727
190: ok 8728
190: ok 8729
190: ok 8730
190: ok 8731
190: ok 8732
190: ok 8733
190: ok 8734
190: ok 8735
190: ok 8736
190: ok 8737
190: ok 8738
190: ok 8739
190: ok 8740
190: ok 8741
190: ok 8742
190: ok 8743
190: ok 8744
190: ok 8745
190: ok 8746
190: ok 8747
190: ok 8748
190: ok 8749
190: ok 8750
190: ok 8751
190: ok 8752
190: ok 8753
190: ok 8754
190: ok 8755
190: ok 8756
190: ok 8757
190: ok 8758
190: ok 8759
190: ok 8760
190: ok 8761
190: ok 8762
190: ok 8763
190: ok 8764
190: ok 8765
190: ok 8766
190: ok 8767
190: ok 8768
190: ok 8769
190: ok 8770
190: ok 8771
190: ok 8772
190: ok 8773
190: ok 8774
190: ok 8775
190: ok 8776
190: ok 8777
190: ok 8778
190: ok 8779
190: ok 8780
190: ok 8781
190: ok 8782
190: ok 8783
190: ok 8784
190: ok 8785
190: ok 8786
190: ok 8787
190: ok 8788
190: ok 8789
190: ok 8790
190: ok 8791
190: ok 8792
190: ok 8793
190: ok 8794
190: ok 8795
190: ok 8796
190: ok 8797
190: ok 8798
190: ok 8799
190: ok 8800
190: ok 8801
190: ok 8802
190: ok 8803
190: ok 8804
190: ok 8805
190: ok 8806
190: ok 8807
190: ok 8808
190: ok 8809
190: ok 8810
190: ok 8811
190: ok 8812
190: ok 8813
190: ok 8814
190: ok 8815
190: ok 8816
190: ok 8817
190: ok 8818
190: ok 8819
190: ok 8820
190: ok 8821
190: ok 8822
190: ok 8823
190: ok 8824
190: ok 8825
190: ok 8826
190: ok 8827
190: ok 8828
190: ok 8829
190: ok 8830
190: ok 8831
190: ok 8832
190: ok 8833
190: ok 8834
190: ok 8835
190: ok 8836
190: ok 8837
190: ok 8838
190: ok 8839
190: ok 8840
190: ok 8841
190: ok 8842
190: ok 8843
190: ok 8844
190: ok 8845
190: ok 8846
190: ok 8847
190: ok 8848
190: ok 8849
190: ok 8850
190: ok 8851
190: ok 8852
190: ok 8853
190: ok 8854
190: ok 8855
190: ok 8856
190: ok 8857
190: ok 8858
190: ok 8859
190: ok 8860
190: ok 8861
190: ok 8862
190: ok 8863
190: ok 8864
190: ok 8865
190: ok 8866
190: ok 8867
190: ok 8868
190: ok 8869
190: ok 8870
190: ok 8871
190: ok 8872
190: ok 8873
190: ok 8874
190: ok 8875
190: ok 8876
190: ok 8877
190: ok 8878
190: ok 8879
190: ok 8880
190: ok 8881
190: ok 8882
190: ok 8883
190: ok 8884
190: ok 8885
190: ok 8886
190: ok 8887
190: ok 8888
190: ok 8889
190: ok 8890
190: ok 8891
190: ok 8892
190: ok 8893
190: ok 8894
190: ok 8895
190: ok 8896
190: ok 8897
190: ok 8898
190: ok 8899
190: ok 8900
190: ok 8901
190: ok 8902
190: ok 8903
190: ok 8904
190: ok 8905
190: ok 8906
190: ok 8907
190: ok 8908
190: ok 8909
190: ok 8910
190: ok 8911
190: ok 8912
190: ok 8913
190: ok 8914
190: ok 8915
190: ok 8916
190: ok 8917
190: ok 8918
190: ok 8919
190: ok 8920
190: ok 8921
190: ok 8922
190: ok 8923
190: ok 8924
190: ok 8925
190: ok 8926
190: ok 8927
190: ok 8928
190: ok 8929
190: ok 8930
190: ok 8931
190: ok 8932
190: ok 8933
190: ok 8934
190: ok 8935
190: ok 8936
190: ok 8937
190: ok 8938
190: ok 8939
190: ok 8940
190: ok 8941
190: ok 8942
190: ok 8943
190: ok 8944
190: ok 8945
190: ok 8946
190: ok 8947
190: ok 8948
190: ok 8949
190: ok 8950
190: ok 8951
190: ok 8952
190: ok 8953
190: ok 8954
190: ok 8955
190: ok 8956
190: ok 8957
190: ok 8958
190: ok 8959
190: ok 8960
190: ok 8961
190: ok 8962
190: ok 8963
190: ok 8964
190: ok 8965
190: ok 8966
190: ok 8967
190: ok 8968
190: ok 8969
190: ok 8970
190: ok 8971
190: ok 8972
190: ok 8973
190: ok 8974
190: ok 8975
190: ok 8976
190: ok 8977
190: ok 8978
190: ok 8979
190: ok 8980
190: ok 8981
190: ok 8982
190: ok 8983
190: ok 8984
190: ok 8985
190: ok 8986
190: ok 8987
190: ok 8988
190: ok 8989
190: ok 8990
190: ok 8991
190: ok 8992
190: ok 8993
190: ok 8994
190: ok 8995
190: ok 8996
190: ok 8997
190: ok 8998
190: ok 8999
190: ok 9000
190: ok 9001
190: ok 9002
190: ok 9003
190: ok 9004
190: ok 9005
190: ok 9006
190: ok 9007
190: ok 9008
190: ok 9009
190: ok 9010
190: ok 9011
190: ok 9012
190: ok 9013
190: ok 9014
190: ok 9015
190: ok 9016
190: ok 9017
190: ok 9018
190: ok 9019
190: ok 9020
190: ok 9021
190: ok 9022
190: ok 9023
190: ok 9024
190: ok 9025
190: ok 9026
190: ok 9027
190: ok 9028
190: ok 9029
190: ok 9030
190: ok 9031
190: ok 9032
190: ok 9033
190: ok 9034
190: ok 9035
190: ok 9036
190: ok 9037
190: ok 9038
190: ok 9039
190: ok 9040
190: ok 9041
190: ok 9042
190: ok 9043
190: ok 9044
190: ok 9045
190: ok 9046
190: ok 9047
190: ok 9048
190: ok 9049
190: ok 9050
190: ok 9051
190: ok 9052
190: ok 9053
190: ok 9054
190: ok 9055
190: ok 9056
190: ok 9057
190: ok 9058
190: ok 9059
190: ok 9060
190: ok 9061
190: ok 9062
190: ok 9063
190: ok 9064
190: ok 9065
190: ok 9066
190: ok 9067
190: ok 9068
190: ok 9069
190: ok 9070
190: ok 9071
190: ok 9072
190: ok 9073
190: ok 9074
190: ok 9075
190: ok 9076
190: ok 9077
190: ok 9078
190: ok 9079
190: ok 9080
190: ok 9081
190: ok 9082
190: ok 9083
190: ok 9084
190: ok 9085
190: ok 9086
190: ok 9087
190: ok 9088
190: ok 9089
190: ok 9090
190: ok 9091
190: ok 9092
190: ok 9093
190: ok 9094
190: ok 9095
190: ok 9096
190: ok 9097
190: ok 9098
190: ok 9099
190: ok 9100
190: ok 9101
190: ok 9102
190: ok 9103
190: ok 9104
190: ok 9105
190: ok 9106
190: ok 9107
190: ok 9108
190: ok 9109
190: ok 9110
190: ok 9111
190: ok 9112
190: ok 9113
190: ok 9114
190: ok 9115
190: ok 9116
190: ok 9117
190: ok 9118
190: ok 9119
190: ok 9120
190: ok 9121
190: ok 9122
190: ok 9123
190: ok 9124
190: ok 9125
190: ok 9126
190: ok 9127
190: ok 9128
190: ok 9129
190: ok 9130
190: ok 9131
190: ok 9132
190: ok 9133
190: ok 9134
190: ok 9135
190: ok 9136
190: ok 9137
190: ok 9138
190: ok 9139
190: ok 9140
190: ok 9141
190: ok 9142
190: ok 9143
190: ok 9144
190: ok 9145
190: ok 9146
190: ok 9147
190: ok 9148
190: ok 9149
190: ok 9150
190: ok 9151
190: ok 9152
190: ok 9153
190: ok 9154
190: ok 9155
190: ok 9156
190: ok 9157
190: ok 9158
190: ok 9159
190: ok 9160
190: ok 9161
190: ok 9162
190: ok 9163
190: ok 9164
190: ok 9165
190: ok 9166
190: ok 9167
190: ok 9168
190: ok 9169
190: ok 9170
190: ok 9171
190: ok 9172
190: ok 9173
190: ok 9174
190: ok 9175
190: ok 9176
190: ok 9177
190: ok 9178
190: ok 9179
190: ok 9180
190: ok 9181
190: ok 9182
190: ok 9183
190: ok 9184
190: ok 9185
190: ok 9186
190: ok 9187
190: ok 9188
190: ok 9189
190: ok 9190
190: ok 9191
190: ok 9192
190: ok 9193
190: ok 9194
190: ok 9195
190: ok 9196
190: ok 9197
190: ok 9198
190: ok 9199
190: ok 9200
190: ok 9201
190: ok 9202
190: ok 9203
190: ok 9204
190: ok 9205
190: ok 9206
190: ok 9207
190: ok 9208
190: ok 9209
190: ok 9210
190: ok 9211
190: ok 9212
190: ok 9213
190: ok 9214
190: ok 9215
190: ok 9216
190: ok 9217
190: ok 9218
190: ok 9219
190: ok 9220
190: ok 9221
190: ok 9222
190: ok 9223
190: ok 9224
190: ok 9225
190: ok 9226
190: ok 9227
190: ok 9228
190: ok 9229
190: ok 9230
190: ok 9231
190: ok 9232
190: ok 9233
190: ok 9234
190: ok 9235
190: ok 9236
190: ok 9237
190: ok 9238
190: ok 9239
190: ok 9240
190: ok 9241
190: ok 9242
190: ok 9243
190: ok 9244
190: ok 9245
190: ok 9246
190: ok 9247
190: ok 9248
190: ok 9249
190: ok 9250
190: ok 9251
190: ok 9252
190: ok 9253
190: ok 9254
190: ok 9255
190: ok 9256
190: ok 9257
190: ok 9258
190: ok 9259
190: ok 9260
190: ok 9261
190: ok 9262
190: ok 9263
190: ok 9264
190: ok 9265
190: ok 9266
190: ok 9267
190: ok 9268
190: ok 9269
190: ok 9270
190: ok 9271
190: ok 9272
190: ok 9273
190: ok 9274
190: ok 9275
190: ok 9276
190: ok 9277
190: ok 9278
190: ok 9279
190: ok 9280
190: ok 9281
190: ok 9282
190: ok 9283
190: ok 9284
190: ok 9285
190: ok 9286
190: ok 9287
190: ok 9288
190: ok 9289
190: ok 9290
190: ok 9291
190: ok 9292
190: ok 9293
190: ok 9294
190: ok 9295
190: ok 9296
190: ok 9297
190: ok 9298
190: ok 9299
190: ok 9300
190: ok 9301
190: ok 9302
190: ok 9303
190: ok 9304
190: ok 9305
190: ok 9306
190: ok 9307
190: ok 9308
190: ok 9309
190: ok 9310
190: ok 9311
190: ok 9312
190: ok 9313
190: ok 9314
190: ok 9315
190: ok 9316
190: ok 9317
190: ok 9318
190: ok 9319
190: ok 9320
190: ok 9321
190: ok 9322
190: ok 9323
190: ok 9324
190: ok 9325
190: ok 9326
190: ok 9327
190: ok 9328
190: ok 9329
190: ok 9330
190: ok 9331
190: ok 9332
190: ok 9333
190: ok 9334
190: ok 9335
190: ok 9336
190: ok 9337
190: ok 9338
190: ok 9339
190: ok 9340
190: ok 9341
190: ok 9342
190: ok 9343
190: ok 9344
190: ok 9345
190: ok 9346
190: ok 9347
190: ok 9348
190: ok 9349
190: ok 9350
190: ok 9351
190: ok 9352
190: ok 9353
190: ok 9354
190: ok 9355
190: ok 9356
190: ok 9357
190: ok 9358
190: ok 9359
190: ok 9360
190: ok 9361
190: ok 9362
190: ok 9363
190: ok 9364
190: ok 9365
190: ok 9366
190: ok 9367
190: ok 9368
190: ok 9369
190: ok 9370
190: ok 9371
190: ok 9372
190: ok 9373
190: ok 9374
190: ok 9375
190: ok 9376
190: ok 9377
190: ok 9378
190: ok 9379
190: ok 9380
190: ok 9381
190: ok 9382
190: ok 9383
190: ok 9384
190: ok 9385
190: ok 9386
190: ok 9387
190: ok 9388
190: ok 9389
190: ok 9390
190: ok 9391
190: ok 9392
190: ok 9393
190: ok 9394
190: ok 9395
190: ok 9396
190: ok 9397
190: ok 9398
190: ok 9399
190: ok 9400
190: ok 9401
190: ok 9402
190: ok 9403
190: ok 9404
190: ok 9405
190: ok 9406
190: ok 9407
190: ok 9408
190: ok 9409
190: ok 9410
190: ok 9411
190: ok 9412
190: ok 9413
190: ok 9414
190: ok 9415
190: ok 9416
190: ok 9417
190: ok 9418
190: ok 9419
190: ok 9420
190: ok 9421
190: ok 9422
190: ok 9423
190: ok 9424
190: ok 9425
190: ok 9426
190: ok 9427
190: ok 9428
190: ok 9429
190: ok 9430
190: ok 9431
190: ok 9432
190: ok 9433
190: ok 9434
190: ok 9435
190: ok 9436
190: ok 9437
190: ok 9438
190: ok 9439
190: ok 9440
190: ok 9441
190: ok 9442
190: ok 9443
190: ok 9444
190: ok 9445
190: ok 9446
190: ok 9447
190: ok 9448
190: ok 9449
190: ok 9450
190: ok 9451
190: ok 9452
190: ok 9453
190: ok 9454
190: ok 9455
190: ok 9456
190: ok 9457
190: ok 9458
190: ok 9459
190: ok 9460
190: ok 9461
190: ok 9462
190: ok 9463
190: ok 9464
190: ok 9465
190: ok 9466
190: ok 9467
190: ok 9468
190: ok 9469
190: ok 9470
190: ok 9471
190: ok 9472
190: ok 9473
190: ok 9474
190: ok 9475
190: ok 9476
190: ok 9477
190: ok 9478
190: ok 9479
190: ok 9480
190: ok 9481
190: ok 9482
190: ok 9483
190: ok 9484
190: ok 9485
190: ok 9486
190: ok 9487
190: ok 9488
190: ok 9489
190: ok 9490
190: ok 9491
190: ok 9492
190: ok 9493
190: ok 9494
190: ok 9495
190: ok 9496
190: ok 9497
190: ok 9498
190: ok 9499
190: ok 9500
190: ok 9501
190: ok 9502
190: ok 9503
190: ok 9504
190: ok 9505
190: ok 9506
190: ok 9507
190: ok 9508
190: ok 9509
190: ok 9510
190: ok 9511
190: ok 9512
190: ok 9513
190: ok 9514
190: ok 9515
190: ok 9516
190: ok 9517
190: ok 9518
190: ok 9519
190: ok 9520
190: ok 9521
190: ok 9522
190: ok 9523
190: ok 9524
190: ok 9525
190: ok 9526
190: ok 9527
190: ok 9528
190: ok 9529
190: ok 9530
190: ok 9531
190: ok 9532
190: ok 9533
190: ok 9534
190: ok 9535
190: ok 9536
190: ok 9537
190: ok 9538
190: ok 9539
190: ok 9540
190: ok 9541
190: ok 9542
190: ok 9543
190: ok 9544
190: ok 9545
190: ok 9546
190: ok 9547
190: ok 9548
190: ok 9549
190: ok 9550
190: ok 9551
190: ok 9552
190: ok 9553
190: ok 9554
190: ok 9555
190: ok 9556
190: ok 9557
190: ok 9558
190: ok 9559
190: ok 9560
190: ok 9561
190: ok 9562
190: ok 9563
190: ok 9564
190: ok 9565
190: ok 9566
190: ok 9567
190: ok 9568
190: ok 9569
190: ok 9570
190: ok 9571
190: ok 9572
190: ok 9573
190: ok 9574
190: ok 9575
190: ok 9576
190: ok 9577
190: ok 9578
190: ok 9579
190: ok 9580
190: ok 9581
190: ok 9582
190: ok 9583
190: ok 9584
190: ok 9585
190: ok 9586
190: ok 9587
190: ok 9588
190: ok 9589
190: ok 9590
190: ok 9591
190: ok 9592
190: ok 9593
190: ok 9594
190: ok 9595
190: ok 9596
190: ok 9597
190: ok 9598
190: ok 9599
190: ok 9600
190: ok 9601
190: ok 9602
190: ok 9603
190: ok 9604
190: ok 9605
190: ok 9606
190: ok 9607
190: ok 9608
190: ok 9609
190: ok 9610
190: ok 9611
190: ok 9612
190: ok 9613
190: ok 9614
190: ok 9615
190: ok 9616
190: ok 9617
190: ok 9618
190: ok 9619
190: ok 9620
190: ok 9621
190: ok 9622
190: ok 9623
190: ok 9624
190: ok 9625
190: ok 9626
190: ok 9627
190: ok 9628
190: ok 9629
190: ok 9630
190: ok 9631
190: ok 9632
190: ok 9633
190: ok 9634
190: ok 9635
190: ok 9636
190: ok 9637
190: ok 9638
190: ok 9639
190: ok 9640
190: ok 9641
190: ok 9642
190: ok 9643
190: ok 9644
190: ok 9645
190: ok 9646
190: ok 9647
190: ok 9648
190: ok 9649
190: ok 9650
190: ok 9651
190: ok 9652
190: ok 9653
190: ok 9654
190: ok 9655
190: ok 9656
190: ok 9657
190: ok 9658
190: ok 9659
190: ok 9660
190: ok 9661
190: ok 9662
190: ok 9663
190: ok 9664
190: ok 9665
190: ok 9666
190: ok 9667
190: ok 9668
190: ok 9669
190: ok 9670
190: ok 9671
190: ok 9672
190: ok 9673
190: ok 9674
190: ok 9675
190: ok 9676
190: ok 9677
190: ok 9678
190: ok 9679
190: ok 9680
190: ok 9681
190: ok 9682
190: ok 9683
190: ok 9684
190: ok 9685
190: ok 9686
190: ok 9687
190: ok 9688
190: ok 9689
190: ok 9690
190: ok 9691
190: ok 9692
190: ok 9693
190: ok 9694
190: ok 9695
190: ok 9696
190: ok 9697
190: ok 9698
190: ok 9699
190: ok 9700
190: ok 9701
190: ok 9702
190: ok 9703
190: ok 9704
190: ok 9705
190: ok 9706
190: ok 9707
190: ok 9708
190: ok 9709
190: ok 9710
190: ok 9711
190: ok 9712
190: ok 9713
190: ok 9714
190: ok 9715
190: ok 9716
190: ok 9717
190: ok 9718
190: ok 9719
190: ok 9720
190: ok 9721
190: ok 9722
190: ok 9723
190: ok 9724
190: ok 9725
190: ok 9726
190: ok 9727
190: ok 9728
190: ok 9729
190: ok 9730
190: ok 9731
190: ok 9732
190: ok 9733
190: ok 9734
190: ok 9735
190: ok 9736
190: ok 9737
190: ok 9738
190: ok 9739
190: ok 9740
190: ok 9741
190: ok 9742
190: ok 9743
190: ok 9744
190: ok 9745
190: ok 9746
190: ok 9747
190: ok 9748
190: ok 9749
190: ok 9750
190: ok 9751
190: ok 9752
190: ok 9753
190: ok 9754
190: ok 9755
190: ok 9756
190: ok 9757
190: ok 9758
190: ok 9759
190: ok 9760
190: ok 9761
190: ok 9762
190: ok 9763
190: ok 9764
190: ok 9765
190: ok 9766
190: ok 9767
190: ok 9768
190: ok 9769
190: ok 9770
190: ok 9771
190: ok 9772
190: ok 9773
190: ok 9774
190: ok 9775
190: ok 9776
190: ok 9777
190: ok 9778
190: ok 9779
190: ok 9780
190: ok 9781
190: ok 9782
190: ok 9783
190: ok 9784
190: ok 9785
190: ok 9786
190: ok 9787
190: ok 9788
190: ok 9789
190: ok 9790
190: ok 9791
190: ok 9792
190: ok 9793
190: ok 9794
190: ok 9795
190: ok 9796
190: ok 9797
190: ok 9798
190: ok 9799
190: ok 9800
190: ok 9801
190: ok 9802
190: ok 9803
190: ok 9804
190: ok 9805
190: ok 9806
190: ok 9807
190: ok 9808
190: ok 9809
190: ok 9810
190: ok 9811
190: ok 9812
190: ok 9813
190: ok 9814
190: ok 9815
190: ok 9816
190: ok 9817
190: ok 9818
190: ok 9819
190: ok 9820
190: ok 9821
190: ok 9822
190: ok 9823
190: ok 9824
190: ok 9825
190: ok 9826
190: ok 9827
190: ok 9828
190: ok 9829
190: ok 9830
190: ok 9831
190: ok 9832
190: ok 9833
190: ok 9834
190: ok 9835
190: ok 9836
190: ok 9837
190: ok 9838
190: ok 9839
190: ok 9840
190: ok 9841
190: ok 9842
190: ok 9843
190: ok 9844
190: ok 9845
190: ok 9846
190: ok 9847
190: ok 9848
190: ok 9849
190: ok 9850
190: ok 9851
190: ok 9852
190: ok 9853
190: ok 9854
190: ok 9855
190: ok 9856
190: ok 9857
190: ok 9858
190: ok 9859
190: ok 9860
190: ok 9861
190: ok 9862
190: ok 9863
190: ok 9864
190: ok 9865
190: ok 9866
190: ok 9867
190: ok 9868
190: ok 9869
190: ok 9870
190: ok 9871
190: ok 9872
190: ok 9873
190: ok 9874
190: ok 9875
190: ok 9876
190: ok 9877
190: ok 9878
190: ok 9879
190: ok 9880
190: ok 9881
190: ok 9882
190: ok 9883
190: ok 9884
190: ok 9885
190: ok 9886
190: ok 9887
190: ok 9888
190: ok 9889
190: ok 9890
190: ok 9891
190: ok 9892
190: ok 9893
190: ok 9894
190: ok 9895
190: ok 9896
190: ok 9897
190: ok 9898
190: ok 9899
190: ok 9900
190: ok 9901
190: ok 9902
190: ok 9903
190: ok 9904
190: ok 9905
190: ok 9906
190: ok 9907
190: ok 9908
190: ok 9909
190: ok 9910
190: ok 9911
190: ok 9912
190: ok 9913
190: ok 9914
190: ok 9915
190: ok 9916
190: ok 9917
190: ok 9918
190: ok 9919
190: ok 9920
190: ok 9921
190: ok 9922
190: ok 9923
190: ok 9924
190: ok 9925
190: ok 9926
190: ok 9927
190: ok 9928
190: ok 9929
190: ok 9930
190: ok 9931
190: ok 9932
190: ok 9933
190: ok 9934
190: ok 9935
190: ok 9936
190: ok 9937
190: ok 9938
190: ok 9939
190: ok 9940
190: ok 9941
190: ok 9942
190: ok 9943
190: ok 9944
190: ok 9945
190: ok 9946
190: ok 9947
190: ok 9948
190: ok 9949
190: ok 9950
190: ok 9951
190: ok 9952
190: ok 9953
190: ok 9954
190: ok 9955
190: ok 9956
190: ok 9957
190: ok 9958
190: ok 9959
190: ok 9960
190: ok 9961
190: ok 9962
190: ok 9963
190: ok 9964
190: ok 9965
190: ok 9966
190: ok 9967
190: ok 9968
190: ok 9969
190: ok 9970
190: ok 9971
190: ok 9972
190: ok 9973
190: ok 9974
190: ok 9975
190: ok 9976
190: ok 9977
190: ok 9978
190: ok 9979
190: ok 9980
190: ok 9981
190: ok 9982
190: ok 9983
190: ok 9984
190: ok 9985
190: ok 9986
190: ok 9987
190: ok 9988
190: ok 9989
190: ok 9990
190: ok 9991
190: ok 9992
190: ok 9993
190: ok 9994
190: ok 9995
190: ok 9996
190: ok 9997
190: ok 9998
190: ok 9999
190: ok 10000
190: ok 10001
190: ok 10002
190: ok 10003
190: ok 10004
190: ok 10005
190: ok 10006
190: ok 10007
190: ok 10008
190: ok 10009
190: ok 10010
190: ok 10011
190: ok 10012
190: ok 10013
190: ok 10014
190: ok 10015
190: ok 10016
190: ok 10017
190: ok 10018
190: ok 10019
190: ok 10020
190: ok 10021
190: ok 10022
190: ok 10023
190: ok 10024
190: ok 10025
190: ok 10026
190: ok 10027
190: ok 10028
190: ok 10029
190: ok 10030
190: ok 10031
190: ok 10032
190: ok 10033
190: ok 10034
190: ok 10035
190: ok 10036
190: ok 10037
190: ok 10038
190: ok 10039
190: ok 10040
190: ok 10041
190: ok 10042
190: ok 10043
190: ok 10044
190: ok 10045
190: ok 10046
190: ok 10047
190: ok 10048
190: ok 10049
190: ok 10050
190: ok 10051
190: ok 10052
190: ok 10053
190: ok 10054
190: ok 10055
190: ok 10056
190: ok 10057
190: ok 10058
190: ok 10059
190: ok 10060
190: ok 10061
190: ok 10062
190: ok 10063
190: ok 10064
190: ok 10065
190: ok 10066
190: ok 10067
190: ok 10068
190: ok 10069
190: ok 10070
190: ok 10071
190: ok 10072
190: ok 10073
190: ok 10074
190: ok 10075
190: ok 10076
190: ok 10077
190: ok 10078
190: ok 10079
190: ok 10080
190: ok 10081
190: ok 10082
190: ok 10083
190: ok 10084
190: ok 10085
190: ok 10086
190: ok 10087
190: ok 10088
190: ok 10089
190: ok 10090
190: ok 10091
190: ok 10092
190: ok 10093
190: ok 10094
190: ok 10095
190: ok 10096
190: ok 10097
190: ok 10098
190: ok 10099
190: ok 10100
190: ok 10101
190: ok 10102
190: ok 10103
190: ok 10104
190: ok 10105
190: ok 10106
190: ok 10107
190: ok 10108
190: ok 10109
190: ok 10110
190: ok 10111
190: ok 10112
190: ok 10113
190: ok 10114
190: ok 10115
190: ok 10116
190: ok 10117
190: ok 10118
190: ok 10119
190: ok 10120
190: ok 10121
190: ok 10122
190: ok 10123
190: ok 10124
190: ok 10125
190: ok 10126
190: ok 10127
190: ok 10128
190: ok 10129
190: ok 10130
190: ok 10131
190: ok 10132
190: ok 10133
190: ok 10134
190: ok 10135
190: ok 10136
190: ok 10137
190: ok 10138
190: ok 10139
190: ok 10140
190: ok 10141
190: ok 10142
190: ok 10143
190: ok 10144
190: ok 10145
190: ok 10146
190: ok 10147
190: ok 10148
190: ok 10149
190: ok 10150
190: ok 10151
190: ok 10152
190: ok 10153
190: ok 10154
190: ok 10155
190: ok 10156
190: ok 10157
190: ok 10158
190: ok 10159
190: ok 10160
190: ok 10161
190: ok 10162
190: ok 10163
190: ok 10164
190: ok 10165
190: ok 10166
190: ok 10167
190: ok 10168
190: ok 10169
190: ok 10170
190: ok 10171
190: ok 10172
190: ok 10173
190: ok 10174
190: ok 10175
190: ok 10176
190: ok 10177
190: ok 10178
190: ok 10179
190: ok 10180
190: ok 10181
190: ok 10182
190: ok 10183
190: ok 10184
190: ok 10185
190: ok 10186
190: ok 10187
190: ok 10188
190: ok 10189
190: ok 10190
190: ok 10191
190: ok 10192
190: ok 10193
190: ok 10194
190: ok 10195
190: ok 10196
190: ok 10197
190: ok 10198
190: ok 10199
190: ok 10200
190: ok 10201
190: ok 10202
190: ok 10203
190: ok 10204
190: ok 10205
190: ok 10206
190: ok 10207
190: ok 10208
190: ok 10209
190: ok 10210
190: ok 10211
190: ok 10212
190: ok 10213
190: ok 10214
190: ok 10215
190: ok 10216
190: ok 10217
190: ok 10218
190: ok 10219
190: ok 10220
190: ok 10221
190: ok 10222
190: ok 10223
190: ok 10224
190: ok 10225
190: ok 10226
190: ok 10227
190: ok 10228
190: ok 10229
190: ok 10230
190: ok 10231
190: ok 10232
190: ok 10233
190: ok 10234
190: ok 10235
190: ok 10236
190: ok 10237
190: ok 10238
190: ok 10239
190: ok 10240
190: ok 10241
190: ok 10242
190: ok 10243
190: ok 10244
190: ok 10245
190: ok 10246
190: ok 10247
190: ok 10248
190: ok 10249
190: ok 10250
190: ok 10251
190: ok 10252
190: ok 10253
190: ok 10254
190: ok 10255
190: ok 10256
190: ok 10257
190: ok 10258
190: ok 10259
190: ok 10260
190: ok 10261
190: ok 10262
190: ok 10263
190: ok 10264
190: ok 10265
190: ok 10266
190: ok 10267
190: ok 10268
190: ok 10269
190: ok 10270
190: ok 10271
190: ok 10272
190: ok 10273
190: ok 10274
190: ok 10275
190: ok 10276
190: ok 10277
190: ok 10278
190: ok 10279
190: ok 10280
190: ok 10281
190: ok 10282
190: ok 10283
190: ok 10284
190: ok 10285
190: ok 10286
190: ok 10287
190: ok 10288
190: ok 10289
190: ok 10290
190: ok 10291
190: ok 10292
190: ok 10293
190: ok 10294
190: ok 10295
190: ok 10296
190: ok 10297
190: ok 10298
190: ok 10299
190: ok 10300
190: ok 10301
190: ok 10302
190: ok 10303
190: ok 10304
190: ok 10305
190: ok 10306
190: ok 10307
190: ok 10308
190: ok 10309
190: ok 10310
190: ok 10311
190: ok 10312
190: ok 10313
190: ok 10314
190: ok 10315
190: ok 10316
190: ok 10317
190: ok 10318
190: ok 10319
190: ok 10320
190: ok 10321
190: ok 10322
190: ok 10323
190: ok 10324
190: ok 10325
190: ok 10326
190: ok 10327
190: ok 10328
190: ok 10329
190: ok 10330
190: ok 10331
190: ok 10332
190: ok 10333
190: ok 10334
190: ok 10335
190: ok 10336
190: ok 10337
190: ok 10338
190: ok 10339
190: ok 10340
190: ok 10341
190: ok 10342
190: ok 10343
190: ok 10344
190: ok 10345
190: ok 10346
190: ok 10347
190: ok 10348
190: ok 10349
190: ok 10350
190: ok 10351
190: ok 10352
190: ok 10353
190: ok 10354
190: ok 10355
190: ok 10356
190: ok 10357
190: ok 10358
190: ok 10359
190: ok 10360
190: ok 10361
190: ok 10362
190: ok 10363
190: ok 10364
190: ok 10365
190: ok 10366
190: ok 10367
190: ok 10368
190: ok 10369
190: ok 10370
190: ok 10371
190: ok 10372
190: ok 10373
190: ok 10374
190: ok 10375
190: ok 10376
190: ok 10377
190: ok 10378
190: ok 10379
190: ok 10380
190: ok 10381
190: ok 10382
190: ok 10383
190: ok 10384
190: ok 10385
190: ok 10386
190: ok 10387
190: ok 10388
190: ok 10389
190: ok 10390
190: ok 10391
190: ok 10392
190: ok 10393
190: ok 10394
190: ok 10395
190: ok 10396
190: ok 10397
190: ok 10398
190: ok 10399
190: ok 10400
190: ok 10401
190: ok 10402
190: ok 10403
190: ok 10404
190: ok 10405
190: ok 10406
190: ok 10407
190: ok 10408
190: ok 10409
190: ok 10410
190: ok 10411
190: ok 10412
190: ok 10413
190: ok 10414
190: ok 10415
190: ok 10416
190: ok 10417
190: ok 10418
190: ok 10419
190: ok 10420
190: ok 10421
190: ok 10422
190: ok 10423
190: ok 10424
190: ok 10425
190: ok 10426
190: ok 10427
190: ok 10428
190: ok 10429
190: ok 10430
190: ok 10431
190: ok 10432
190: ok 10433
190: ok 10434
190: ok 10435
190: ok 10436
190: ok 10437
190: ok 10438
190: ok 10439
190: ok 10440
190: ok 10441
190: ok 10442
190: ok 10443
190: ok 10444
190: ok 10445
190: ok 10446
190: ok 10447
190: ok 10448
190: ok 10449
190: ok 10450
190: ok 10451
190: ok 10452
190: ok 10453
190: ok 10454
190: ok 10455
190: ok 10456
190: ok 10457
190: ok 10458
190: ok 10459
190: ok 10460
190: ok 10461
190: ok 10462
190: ok 10463
190: ok 10464
190: ok 10465
190: ok 10466
190: ok 10467
190: ok 10468
190: ok 10469
190: ok 10470
190: ok 10471
190: ok 10472
190: ok 10473
190: ok 10474
190: ok 10475
190: ok 10476
190: ok 10477
190: ok 10478
190: ok 10479
190: ok 10480
190: ok 10481
190: ok 10482
190: ok 10483
190: ok 10484
190: ok 10485
190: ok 10486
190: ok 10487
190: ok 10488
190: ok 10489
190: ok 10490
190: ok 10491
190: ok 10492
190: ok 10493
190: ok 10494
190: ok 10495
190: ok 10496
190: ok 10497
190: ok 10498
190: ok 10499
190: ok 10500
190: ok 10501
190: ok 10502
190: ok 10503
190: ok 10504
190: ok 10505
190: ok 10506
190: ok 10507
190: ok 10508
190: ok 10509
190: ok 10510
190: ok 10511
190: ok 10512
190: ok 10513
190: ok 10514
190: ok 10515
190: ok 10516
190: ok 10517
190: ok 10518
190: ok 10519
190: ok 10520
190: ok 10521
190: ok 10522
190: ok 10523
190: ok 10524
190: ok 10525
190: ok 10526
190: ok 10527
190: ok 10528
190: ok 10529
190: ok 10530
190: ok 10531
190: ok 10532
190: ok 10533
190: ok 10534
190: ok 10535
190: ok 10536
190: ok 10537
190: ok 10538
190: ok 10539
190: ok 10540
190: ok 10541
190: ok 10542
190: ok 10543
190: ok 10544
190: ok 10545
190: ok 10546
190: ok 10547
190: ok 10548
190: ok 10549
190: ok 10550
190: ok 10551
190: ok 10552
190: ok 10553
190: ok 10554
190: ok 10555
190: ok 10556
190: ok 10557
190: ok 10558
190: ok 10559
190: ok 10560
190: ok 10561
190: ok 10562
190: ok 10563
190: ok 10564
190: ok 10565
190: ok 10566
190: ok 10567
190: ok 10568
190: ok 10569
190: ok 10570
190: ok 10571
190: ok 10572
190: ok 10573
190: ok 10574
190: ok 10575
190: ok 10576
190: ok 10577
190: ok 10578
190: ok 10579
190: ok 10580
190: ok 10581
190: ok 10582
190: ok 10583
190: ok 10584
190: ok 10585
190: ok 10586
190: ok 10587
190: ok 10588
190: ok 10589
190: ok 10590
190: ok 10591
190: ok 10592
190: ok 10593
190: ok 10594
190: ok 10595
190: ok 10596
190: ok 10597
190: ok 10598
190: ok 10599
190: ok 10600
190: ok 10601
190: ok 10602
190: ok 10603
190: ok 10604
190: ok 10605
190: ok 10606
190: ok 10607
190: ok 10608
190: ok 10609
190: ok 10610
190: ok 10611
190: ok 10612
190: ok 10613
190: ok 10614
190: ok 10615
190: ok 10616
190: ok 10617
190: ok 10618
190: ok 10619
190: ok 10620
190: ok 10621
190: ok 10622
190: ok 10623
190: ok 10624
190: ok 10625
190: ok 10626
190: ok 10627
190: ok 10628
190: ok 10629
190: ok 10630
190: ok 10631
190: ok 10632
190: ok 10633
190: ok 10634
190: ok 10635
190: ok 10636
190: ok 10637
190: ok 10638
190: ok 10639
190: ok 10640
190: ok 10641
190: ok 10642
190: ok 10643
190: ok 10644
190: ok 10645
190: ok 10646
190: ok 10647
190: ok 10648
190: ok 10649
190: ok 10650
190: ok 10651
190: ok 10652
190: ok 10653
190: ok 10654
190: ok 10655
190: ok 10656
190: ok 10657
190: ok 10658
190: ok 10659
190: ok 10660
190: ok 10661
190: ok 10662
190: ok 10663
190: ok 10664
190: ok 10665
190: ok 10666
190: ok 10667
190: ok 10668
190: ok 10669
190: ok 10670
190: ok 10671
190: ok 10672
190: ok 10673
190: ok 10674
190: ok 10675
190: ok 10676
190: ok 10677
190: ok 10678
190: ok 10679
190: ok 10680
190: ok 10681
190: ok 10682
190: ok 10683
190: ok 10684
190: ok 10685
190: ok 10686
190: ok 10687
190: ok 10688
190: ok 10689
190: ok 10690
190: ok 10691
190: ok 10692
190: ok 10693
190: ok 10694
190: ok 10695
190: ok 10696
190: ok 10697
190: ok 10698
190: ok 10699
190: ok 10700
190: ok 10701
190: ok 10702
190: ok 10703
190: ok 10704
190: ok 10705
190: ok 10706
190: ok 10707
190: ok 10708
190: ok 10709
190: ok 10710
190: ok 10711
190: ok 10712
190: ok 10713
190: ok 10714
190: ok 10715
190: ok 10716
190: ok 10717
190: ok 10718
190: ok 10719
190: ok 10720
190: ok 10721
190: ok 10722
190: ok 10723
190: ok 10724
190: ok 10725
190: ok 10726
190: ok 10727
190: ok 10728
190: ok 10729
190: ok 10730
190: ok 10731
190: ok 10732
190: ok 10733
190: ok 10734
190: ok 10735
190: ok 10736
190: ok 10737
190: ok 10738
190: ok 10739
190: ok 10740
190: ok 10741
190: ok 10742
190: ok 10743
190: ok 10744
190: ok 10745
190: ok 10746
190: ok 10747
190: ok 10748
190: ok 10749
190: ok 10750
190: ok 10751
190: ok 10752
190: ok 10753
190: ok 10754
190: ok 10755
190: ok 10756
190: ok 10757
190: ok 10758
190: ok 10759
190: ok 10760
190: ok 10761
190: ok 10762
190: ok 10763
190: ok 10764
190: ok 10765
190: ok 10766
190: ok 10767
190: ok 10768
190: ok 10769
190: ok 10770
190: ok 10771
190: ok 10772
190: ok 10773
190: ok 10774
190: ok 10775
190: ok 10776
190: ok 10777
190: ok 10778
190: ok 10779
190: ok 10780
190: ok 10781
190: ok 10782
190: ok 10783
190: ok 10784
190: ok 10785
190: ok 10786
190: ok 10787
190: ok 10788
190: ok 10789
190: ok 10790
190: ok 10791
190: ok 10792
190: ok 10793
190: ok 10794
190: ok 10795
190: ok 10796
190: ok 10797
190: ok 10798
190: ok 10799
190: ok 10800
190: ok 10801
190: ok 10802
190: ok 10803
190: ok 10804
190: ok 10805
190: ok 10806
190: ok 10807
190: ok 10808
190: ok 10809
190: ok 10810
190: ok 10811
190: ok 10812
190: ok 10813
190: ok 10814
190: ok 10815
190: ok 10816
190: ok 10817
190: ok 10818
190: ok 10819
190: ok 10820
190: ok 10821
190: ok 10822
190: ok 10823
190: ok 10824
190: ok 10825
190: ok 10826
190: ok 10827
190: ok 10828
190: ok 10829
190: ok 10830
190: ok 10831
190: ok 10832
190: ok 10833
190: ok 10834
190: ok 10835
190: ok 10836
190: ok 10837
190: ok 10838
190: ok 10839
190: ok 10840
190: ok 10841
190: ok 10842
190: ok 10843
190: ok 10844
190: ok 10845
190: ok 10846
190: ok 10847
190: ok 10848
190: ok 10849
190: ok 10850
190: ok 10851
190: ok 10852
190: ok 10853
190: ok 10854
190: ok 10855
190: ok 10856
190: ok 10857
190: ok 10858
190: ok 10859
190: ok 10860
190: ok 10861
190: ok 10862
190: ok 10863
190: ok 10864
190: ok 10865
190: ok 10866
190: ok 10867
190: ok 10868
190: ok 10869
190: ok 10870
190: ok 10871
190: ok 10872
190: ok 10873
190: ok 10874
190: ok 10875
190: ok 10876
190: ok 10877
190: ok 10878
190: ok 10879
190: ok 10880
190: ok 10881
190: ok 10882
190: ok 10883
190: ok 10884
190: ok 10885
190: ok 10886
190: ok 10887
190: ok 10888
190: ok 10889
190: ok 10890
190: ok 10891
190: ok 10892
190: ok 10893
190: ok 10894
190: ok 10895
190: ok 10896
190: ok 10897
190: ok 10898
190: ok 10899
190: ok 10900
190: ok 10901
190: ok 10902
190: ok 10903
190: ok 10904
190: ok 10905
190: ok 10906
190: ok 10907
190: ok 10908
190: ok 10909
190: ok 10910
190: ok 10911
190: ok 10912
190: ok 10913
190: ok 10914
190: ok 10915
190: ok 10916
190: ok 10917
190: ok 10918
190: ok 10919
190: ok 10920
190: ok 10921
190: ok 10922
190: ok 10923
190: ok 10924
190: ok 10925
190: ok 10926
190: ok 10927
190: ok 10928
190: ok 10929
190: ok 10930
190: ok 10931
190: ok 10932
190: ok 10933
190: ok 10934
190: ok 10935
190: ok 10936
190: ok 10937
190: ok 10938
190: ok 10939
190: ok 10940
190: ok 10941
190: ok 10942
190: ok 10943
190: ok 10944
190: ok 10945
190: ok 10946
190: ok 10947
190: ok 10948
190: ok 10949
190: ok 10950
190: ok 10951
190: ok 10952
190: ok 10953
190: ok 10954
190: ok 10955
190: ok 10956
190: ok 10957
190: ok 10958
190: ok 10959
190: ok 10960
190: ok 10961
190: ok 10962
190: ok 10963
190: ok 10964
190: ok 10965
190: ok 10966
190: ok 10967
190: ok 10968
190: ok 10969
190: ok 10970
190: ok 10971
190: ok 10972
190: ok 10973
190: ok 10974
190: ok 10975
190: ok 10976
190: ok 10977
190: ok 10978
190: ok 10979
190: ok 10980
190: ok 10981
190: ok 10982
190: ok 10983
190: ok 10984
190: ok 10985
190: ok 10986
190: ok 10987
190: ok 10988
190: ok 10989
190: ok 10990
190: ok 10991
190: ok 10992
190: ok 10993
190: ok 10994
190: ok 10995
190: ok 10996
190: ok 10997
190: ok 10998
190: ok 10999
190: ok 11000
190: ok 11001
190: ok 11002
190: ok 11003
190: ok 11004
190: ok 11005
190: ok 11006
190: ok 11007
190: ok 11008
190: ok 11009
190: ok 11010
190: ok 11011
190: ok 11012
190: ok 11013
190: ok 11014
190: ok 11015
190: ok 11016
190: ok 11017
190: ok 11018
190: ok 11019
190: ok 11020
190: ok 11021
190: ok 11022
190: ok 11023
190: ok 11024
190: ok 11025
190: ok 11026
190: ok 11027
190: ok 11028
190: ok 11029
190: ok 11030
190: ok 11031
190: ok 11032
190: ok 11033
190: ok 11034
190: ok 11035
190: ok 11036
190: ok 11037
190: ok 11038
190: ok 11039
190: ok 11040
190: ok 11041
190: ok 11042
190: ok 11043
190: ok 11044
190: ok 11045
190: ok 11046
190: ok 11047
190: ok 11048
190: ok 11049
190: ok 11050
190: ok 11051
190: ok 11052
190: ok 11053
190: ok 11054
190: ok 11055
190: ok 11056
190: ok 11057
190: ok 11058
190: ok 11059
190: ok 11060
190: ok 11061
190: ok 11062
190: ok 11063
190: ok 11064
190: ok 11065
190: ok 11066
190: ok 11067
190: ok 11068
190: ok 11069
190: ok 11070
190: ok 11071
190: ok 11072
190: ok 11073
190: ok 11074
190: ok 11075
190: ok 11076
190: ok 11077
190: ok 11078
190: ok 11079
190: ok 11080
190: ok 11081
190: ok 11082
190: ok 11083
190: ok 11084
190: ok 11085
190: ok 11086
190: ok 11087
190: ok 11088
190: ok 11089
190: ok 11090
190: ok 11091
190: ok 11092
190: ok 11093
190: ok 11094
190: ok 11095
190: ok 11096
190: ok 11097
190: ok 11098
190: ok 11099
190: ok 11100
190: ok 11101
190: ok 11102
190: ok 11103
190: ok 11104
190: ok 11105
190: ok 11106
190: ok 11107
190: ok 11108
190: ok 11109
190: ok 11110
190: ok 11111
190: ok 11112
190: ok 11113
190: ok 11114
190: ok 11115
190: ok 11116
190: ok 11117
190: ok 11118
190: ok 11119
190: ok 11120
190: ok 11121
190: ok 11122
190: ok 11123
190: ok 11124
190: ok 11125
190: ok 11126
190: ok 11127
190: ok 11128
190: ok 11129
190: ok 11130
190: ok 11131
190: ok 11132
190: ok 11133
190: ok 11134
190: ok 11135
190: ok 11136
190: ok 11137
190: ok 11138
190: ok 11139
190: ok 11140
190: ok 11141
190: ok 11142
190: ok 11143
190: ok 11144
190: ok 11145
190: ok 11146
190: ok 11147
190: ok 11148
190: ok 11149
190: ok 11150
190: ok 11151
190: ok 11152
190: ok 11153
190: ok 11154
190: ok 11155
190: ok 11156
190: ok 11157
190: ok 11158
190: ok 11159
190: ok 11160
190: ok 11161
190: ok 11162
190: ok 11163
190: ok 11164
190: ok 11165
190: ok 11166
190: ok 11167
190: ok 11168
190: ok 11169
190: ok 11170
190: ok 11171
190: ok 11172
190: ok 11173
190: ok 11174
190: ok 11175
190: ok 11176
190: ok 11177
190: ok 11178
190: ok 11179
190: ok 11180
190: ok 11181
190: ok 11182
190: ok 11183
190: ok 11184
190: ok 11185
190: ok 11186
190: ok 11187
190: ok 11188
190: ok 11189
190: ok 11190
190: ok 11191
190: ok 11192
190: ok 11193
190: ok 11194
190: ok 11195
190: ok 11196
190: ok 11197
190: ok 11198
190: ok 11199
190: ok 11200
190: ok 11201
190: ok 11202
190: ok 11203
190: ok 11204
190: ok 11205
190: ok 11206
190: ok 11207
190: ok 11208
190: ok 11209
190: ok 11210
190: ok 11211
190: ok 11212
190: ok 11213
190: ok 11214
190: ok 11215
190: ok 11216
190: ok 11217
190: ok 11218
190: ok 11219
190: ok 11220
190: ok 11221
190: ok 11222
190: ok 11223
190: ok 11224
190: ok 11225
190: ok 11226
190: ok 11227
190: ok 11228
190: ok 11229
190: ok 11230
190: ok 11231
190: ok 11232
190: ok 11233
190: ok 11234
190: ok 11235
190: ok 11236
190: ok 11237
190: ok 11238
190: ok 11239
190: ok 11240
190: ok 11241
190: ok 11242
190: ok 11243
190: ok 11244
190: ok 11245
190: ok 11246
190: ok 11247
190: ok 11248
190: ok 11249
190: ok 11250
190: ok 11251
190: ok 11252
190: ok 11253
190: ok 11254
190: ok 11255
190: ok 11256
190: ok 11257
190: ok 11258
190: ok 11259
190: ok 11260
190: ok 11261
190: ok 11262
190: ok 11263
190: ok 11264
190: ok 11265
190: ok 11266
190: ok 11267
190: ok 11268
190: ok 11269
190: ok 11270
190: ok 11271
190: ok 11272
190: ok 11273
190: ok 11274
190: ok 11275
190: ok 11276
190: ok 11277
190: ok 11278
190: ok 11279
190: ok 11280
190: ok 11281
190: ok 11282
190: ok 11283
190: ok 11284
190: ok 11285
190: ok 11286
190: ok 11287
190: ok 11288
190: ok 11289
190: ok 11290
190: ok 11291
190: ok 11292
190: ok 11293
190: ok 11294
190: ok 11295
190: ok 11296
190: ok 11297
190: ok 11298
190: ok 11299
190: ok 11300
190: ok 11301
190: ok 11302
190: ok 11303
190: ok 11304
190: ok 11305
190: ok 11306
190: ok 11307
190: ok 11308
190: ok 11309
190: ok 11310
190: ok 11311
190: ok 11312
190: ok 11313
190: ok 11314
190: ok 11315
190: ok 11316
190: ok 11317
190: ok 11318
190: ok 11319
190: ok 11320
190: ok 11321
190: ok 11322
190: ok 11323
190: ok 11324
190: ok 11325
190: ok 11326
190: ok 11327
190: ok 11328
190: ok 11329
190: ok 11330
190: ok 11331
190: ok 11332
190: ok 11333
190: ok 11334
190: ok 11335
190: ok 11336
190: ok 11337
190: ok 11338
190: ok 11339
190: ok 11340
190: ok 11341
190: ok 11342
190: ok 11343
190: ok 11344
190: ok 11345
190: ok 11346
190: ok 11347
190: ok 11348
190: ok 11349
190: ok 11350
190: ok 11351
190: ok 11352
190: ok 11353
190: ok 11354
190: ok 11355
190: ok 11356
190: ok 11357
190: ok 11358
190: ok 11359
190: ok 11360
190: ok 11361
190: ok 11362
190: ok 11363
190: ok 11364
190: ok 11365
190: ok 11366
190: ok 11367
190: ok 11368
190: ok 11369
190: ok 11370
190: ok 11371
190: ok 11372
190: ok 11373
190: ok 11374
190: ok 11375
190: ok 11376
190: ok 11377
190: ok 11378
190: ok 11379
190: ok 11380
190: ok 11381
190: ok 11382
190: ok 11383
190: ok 11384
190: ok 11385
190: ok 11386
190: ok 11387
190: ok 11388
190: ok 11389
190: ok 11390
190: ok 11391
190: ok 11392
190: ok 11393
190: ok 11394
190: ok 11395
190: ok 11396
190: ok 11397
190: ok 11398
190: ok 11399
190: ok 11400
190: ok 11401
190: ok 11402
190: ok 11403
190: ok 11404
190: ok 11405
190: ok 11406
190: ok 11407
190: ok 11408
190: ok 11409
190: ok 11410
190: ok 11411
190: ok 11412
190: ok 11413
190: ok 11414
190: ok 11415
190: ok 11416
190: ok 11417
190: ok 11418
190: ok 11419
190: ok 11420
190: ok 11421
190: ok 11422
190: ok 11423
190: ok 11424
190: ok 11425
190: ok 11426
190: ok 11427
190: ok 11428
190: ok 11429
190: ok 11430
190: ok 11431
190: ok 11432
190: ok 11433
190: ok 11434
190: ok 11435
190: ok 11436
190: ok 11437
190: ok 11438
190: ok 11439
190: ok 11440
190: ok 11441
190: ok 11442
190: ok 11443
190: ok 11444
190: ok 11445
190: ok 11446
190: ok 11447
190: ok 11448
190: ok 11449
190: ok 11450
190: ok 11451
190: ok 11452
190: ok 11453
190: ok 11454
190: ok 11455
190: ok 11456
190: ok 11457
190: ok 11458
190: ok 11459
190: ok 11460
190: ok 11461
190: ok 11462
190: ok 11463
190: ok 11464
190: ok 11465
190: ok 11466
190: ok 11467
190: ok 11468
190: ok 11469
190: ok 11470
190: ok 11471
190: ok 11472
190: ok 11473
190: ok 11474
190: ok 11475
190: ok 11476
190: ok 11477
190: ok 11478
190: ok 11479
190: ok 11480
190: ok 11481
190: ok 11482
190: ok 11483
190: ok 11484
190: ok 11485
190: ok 11486
190: ok 11487
190: ok 11488
190: ok 11489
190: ok 11490
190: ok 11491
190: ok 11492
190: ok 11493
190: ok 11494
190: ok 11495
190: ok 11496
190: ok 11497
190: ok 11498
190: ok 11499
190: ok 11500
190: ok 11501
190: ok 11502
190: ok 11503
190: ok 11504
190: ok 11505
190: ok 11506
190: ok 11507
190: ok 11508
190: ok 11509
190: ok 11510
190: ok 11511
190: ok 11512
190: ok 11513
190: ok 11514
190: ok 11515
190: ok 11516
190: ok 11517
190: ok 11518
190: ok 11519
190: ok 11520
190: ok 11521
190: ok 11522
190: ok 11523
190: ok 11524
190: ok 11525
190: ok 11526
190: ok 11527
190: ok 11528
190: ok 11529
190: ok 11530
190: ok 11531
190: ok 11532
190: ok 11533
190: ok 11534
190: ok 11535
190: ok 11536
190: ok 11537
190: ok 11538
190: ok 11539
190: ok 11540
190: ok 11541
190: ok 11542
190: ok 11543
190: ok 11544
190: ok 11545
190: ok 11546
190: ok 11547
190: ok 11548
190: ok 11549
190: ok 11550
190: ok 11551
190: ok 11552
190: ok 11553
190: ok 11554
190: ok 11555
190: ok 11556
190: ok 11557
190: ok 11558
190: ok 11559
190: ok 11560
190: ok 11561
190: ok 11562
190: ok 11563
190: ok 11564
190: ok 11565
190: ok 11566
190: ok 11567
190: ok 11568
190: ok 11569
190: ok 11570
190: ok 11571
190: ok 11572
190: ok 11573
190: ok 11574
190: ok 11575
190: ok 11576
190: ok 11577
190: ok 11578
190: ok 11579
190: ok 11580
190: ok 11581
190: ok 11582
190: ok 11583
190: ok 11584
190: ok 11585
190: ok 11586
190: ok 11587
190: ok 11588
190: ok 11589
190: ok 11590
190: ok 11591
190: ok 11592
190: ok 11593
190: ok 11594
190: ok 11595
190: ok 11596
190: ok 11597
190: ok 11598
190: ok 11599
190: ok 11600
190: ok 11601
190: ok 11602
190: ok 11603
190: ok 11604
190: ok 11605
190: ok 11606
190: ok 11607
190: ok 11608
190: ok 11609
190: ok 11610
190: ok 11611
190: ok 11612
190: ok 11613
190: ok 11614
190: ok 11615
190: ok 11616
190: ok 11617
190: ok 11618
190: ok 11619
190: ok 11620
190: ok 11621
190: ok 11622
190: ok 11623
190: ok 11624
190: ok 11625
190: ok 11626
190: ok 11627
190: ok 11628
190: ok 11629
190: ok 11630
190: ok 11631
190: ok 11632
190: ok 11633
190: ok 11634
190: ok 11635
190: ok 11636
190: ok 11637
190: ok 11638
190: ok 11639
190: ok 11640
190: ok 11641
190: ok 11642
190: ok 11643
190: ok 11644
190: ok 11645
190: ok 11646
190: ok 11647
190: ok 11648
190: ok 11649
190: ok 11650
190: ok 11651
190: ok 11652
190: ok 11653
190: ok 11654
190: ok 11655
190: ok 11656
190: ok 11657
190: ok 11658
190: ok 11659
190: ok 11660
190: ok 11661
190: ok 11662
190: ok 11663
190: ok 11664
190: ok 11665
190: ok 11666
190: ok 11667
190: ok 11668
190: ok 11669
190: ok 11670
190: ok 11671
190: ok 11672
190: ok 11673
190: ok 11674
190: ok 11675
190: ok 11676
190: ok 11677
190: ok 11678
190: ok 11679
190: ok 11680
190: ok 11681
190: ok 11682
190: ok 11683
190: ok 11684
190: ok 11685
190: ok 11686
190: ok 11687
190: ok 11688
190: ok 11689
190: ok 11690
190: ok 11691
190: ok 11692
190: ok 11693
190: ok 11694
190: ok 11695
190: ok 11696
190: ok 11697
190: ok 11698
190: ok 11699
190: ok 11700
190: ok 11701
190: ok 11702
190: ok 11703
190: ok 11704
190: ok 11705
190: ok 11706
190: ok 11707
190: ok 11708
190: ok 11709
190: ok 11710
190: ok 11711
190: ok 11712
190: ok 11713
190: ok 11714
190: ok 11715
190: ok 11716
190: ok 11717
190: ok 11718
190: ok 11719
190: ok 11720
190: ok 11721
190: ok 11722
190: ok 11723
190: ok 11724
190: ok 11725
190: ok 11726
190: ok 11727
190: ok 11728
190: ok 11729
190: ok 11730
190: ok 11731
190: ok 11732
190: ok 11733
190: ok 11734
190: ok 11735
190: ok 11736
190: ok 11737
190: ok 11738
190: ok 11739
190: ok 11740
190: ok 11741
190: ok 11742
190: ok 11743
190: ok 11744
190: ok 11745
190: ok 11746
190: ok 11747
190: ok 11748
190: ok 11749
190: ok 11750
190: ok 11751
190: ok 11752
190: ok 11753
190: ok 11754
190: ok 11755
190: ok 11756
190: ok 11757
190: ok 11758
190: ok 11759
190: ok 11760
190: ok 11761
190: ok 11762
190: ok 11763
190: ok 11764
190: ok 11765
190: ok 11766
190: ok 11767
190: ok 11768
190: ok 11769
190: ok 11770
190: ok 11771
190: ok 11772
190: ok 11773
190: ok 11774
190: ok 11775
190: ok 11776
190: ok 11777
190: ok 11778
190: ok 11779
190: ok 11780
190: ok 11781
190: ok 11782
190: ok 11783
190: ok 11784
190: ok 11785
190: ok 11786
190: ok 11787
190: ok 11788
190: ok 11789
190: ok 11790
190: ok 11791
190: ok 11792
190: ok 11793
190: ok 11794
190: ok 11795
190: ok 11796
190: ok 11797
190: ok 11798
190: ok 11799
190: ok 11800
190: ok 11801
190: ok 11802
190: ok 11803
190: ok 11804
190: ok 11805
190: ok 11806
190: ok 11807
190: ok 11808
190: ok 11809
190: ok 11810
190: ok 11811
190: ok 11812
190: ok 11813
190: ok 11814
190: ok 11815
190: ok 11816
190: ok 11817
190: ok 11818
190: ok 11819
190: ok 11820
190: ok 11821
190: ok 11822
190: ok 11823
190: ok 11824
190: ok 11825
190: ok 11826
190: ok 11827
190: ok 11828
190: ok 11829
190: ok 11830
190: ok 11831
190: ok 11832
190: ok 11833
190: ok 11834
190: ok 11835
190: ok 11836
190: ok 11837
190: ok 11838
190: ok 11839
190: ok 11840
190: ok 11841
190: ok 11842
190: ok 11843
190: ok 11844
190: ok 11845
190: ok 11846
190: ok 11847
190: ok 11848
190: ok 11849
190: ok 11850
190: ok 11851
190: ok 11852
190: ok 11853
190: ok 11854
190: ok 11855
190: ok 11856
190: ok 11857
190: ok 11858
190: ok 11859
190: ok 11860
190: ok 11861
190: ok 11862
190: ok 11863
190: ok 11864
190: ok 11865
190: ok 11866
190: ok 11867
190: ok 11868
190: ok 11869
190: ok 11870
190: ok 11871
190: ok 11872
190: ok 11873
190: ok 11874
190: ok 11875
190: ok 11876
190: ok 11877
190: ok 11878
190: ok 11879
190: ok 11880
190: ok 11881
190: ok 11882
190: ok 11883
190: ok 11884
190: ok 11885
190: ok 11886
190: ok 11887
190: ok 11888
190: ok 11889
190: ok 11890
190: ok 11891
190: ok 11892
190: ok 11893
190: ok 11894
190: ok 11895
190: ok 11896
190: ok 11897
190: ok 11898
190: ok 11899
190: ok 11900
190: ok 11901
190: ok 11902
190: ok 11903
190: ok 11904
190: ok 11905
190: ok 11906
190: ok 11907
190: ok 11908
190: ok 11909
190: ok 11910
190: ok 11911
190: ok 11912
190: ok 11913
190: ok 11914
190: ok 11915
190: ok 11916
190: ok 11917
190: ok 11918
190: ok 11919
190: ok 11920
190: ok 11921
190: ok 11922
190: ok 11923
190: ok 11924
190: ok 11925
190: ok 11926
190: ok 11927
190: ok 11928
190: ok 11929
190: ok 11930
190: ok 11931
190: ok 11932
190: ok 11933
190: ok 11934
190: ok 11935
190: ok 11936
190: ok 11937
190: ok 11938
190: ok 11939
190: ok 11940
190: ok 11941
190: ok 11942
190: ok 11943
190: ok 11944
190: ok 11945
190: ok 11946
190: ok 11947
190: ok 11948
190: ok 11949
190: ok 11950
190: ok 11951
190: ok 11952
190: ok 11953
190: ok 11954
190: ok 11955
190: ok 11956
190: ok 11957
190: ok 11958
190: ok 11959
190: ok 11960
190: ok 11961
190: ok 11962
190: ok 11963
190: ok 11964
190: ok 11965
190: ok 11966
190: ok 11967
190: ok 11968
190: ok 11969
190: ok 11970
190: ok 11971
190: ok 11972
190: ok 11973
190: ok 11974
190: ok 11975
190: ok 11976
190: ok 11977
190: ok 11978
190: ok 11979
190: ok 11980
190: ok 11981
190: ok 11982
190: ok 11983
190: ok 11984
190: ok 11985
190: ok 11986
190: ok 11987
190: ok 11988
190: ok 11989
190: ok 11990
190: ok 11991
190: ok 11992
190: ok 11993
190: ok 11994
190: ok 11995
190: ok 11996
190: ok 11997
190: ok 11998
190: ok 11999
190: ok 12000
190: ok 12001
190: ok 12002
190: ok 12003
190: ok 12004
190: ok 12005
190: ok 12006
190: ok 12007
190: ok 12008
190: ok 12009
190: ok 12010
190: ok 12011
190: ok 12012
190: ok 12013
190: ok 12014
190: ok 12015
190: ok 12016
190: ok 12017
190: ok 12018
190: ok 12019
190: ok 12020
190: ok 12021
190: ok 12022
190: ok 12023
190: ok 12024
190: ok 12025
190: ok 12026
190: ok 12027
190: ok 12028
190: ok 12029
190: ok 12030
190: ok 12031
190: ok 12032
190: ok 12033
190: ok 12034
190: ok 12035
190: ok 12036
190: ok 12037
190: ok 12038
190: ok 12039
190: ok 12040
190: ok 12041
190: ok 12042
190: ok 12043
190: ok 12044
190: ok 12045
190: ok 12046
190: ok 12047
190: ok 12048
190: ok 12049
190: ok 12050
190: ok 12051
190: ok 12052
190: ok 12053
190: ok 12054
190: ok 12055
190: ok 12056
190: ok 12057
190: ok 12058
190: ok 12059
190: ok 12060
190: ok 12061
190: ok 12062
190: ok 12063
190: ok 12064
190: ok 12065
190: ok 12066
190: ok 12067
190: ok 12068
190: ok 12069
190: ok 12070
190: ok 12071
190: ok 12072
190: ok 12073
190: ok 12074
190: ok 12075
190: ok 12076
190: ok 12077
190: ok 12078
190: ok 12079
190: ok 12080
190: ok 12081
190: ok 12082
190: ok 12083
190: ok 12084
190: ok 12085
190: ok 12086
190: ok 12087
190: ok 12088
190: ok 12089
190: ok 12090
190: ok 12091
190: ok 12092
190: ok 12093
190: ok 12094
190: ok 12095
190: ok 12096
190: ok 12097
190: ok 12098
190: ok 12099
190: ok 12100
190: ok 12101
190: ok 12102
190: ok 12103
190: ok 12104
190: ok 12105
190: ok 12106
190: ok 12107
190: ok 12108
190: ok 12109
190: ok 12110
190: ok 12111
190: ok 12112
190: ok 12113
190: ok 12114
190: ok 12115
190: ok 12116
190: ok 12117
190: ok 12118
190: ok 12119
190: ok 12120
190: ok 12121
190: ok 12122
190: ok 12123
190: ok 12124
190: ok 12125
190: ok 12126
190: ok 12127
190: ok 12128
190: ok 12129
190: ok 12130
190: ok 12131
190: ok 12132
190: ok 12133
190: ok 12134
190: ok 12135
190: ok 12136
190: ok 12137
190: ok 12138
190: ok 12139
190: ok 12140
190: ok 12141
190: ok 12142
190: ok 12143
190: ok 12144
190: ok 12145
190: ok 12146
190: ok 12147
190: ok 12148
190: ok 12149
190: ok 12150
190: ok 12151
190: ok 12152
190: ok 12153
190: ok 12154
190: ok 12155
190: ok 12156
190: ok 12157
190: ok 12158
190: ok 12159
190: ok 12160
190: ok 12161
190: ok 12162
190: ok 12163
190: ok 12164
190: ok 12165
190: ok 12166
190: ok 12167
190: ok 12168
190: ok 12169
190: ok 12170
190: ok 12171
190: ok 12172
190: ok 12173
190: ok 12174
190: ok 12175
190: ok 12176
190: ok 12177
190: ok 12178
190: ok 12179
190: ok 12180
190: ok 12181
190: ok 12182
190: ok 12183
190: ok 12184
190: ok 12185
190: ok 12186
190: ok 12187
190: ok 12188
190: ok 12189
190: ok 12190
190: ok 12191
190: ok 12192
190: ok 12193
190: ok 12194
190: ok 12195
190: ok 12196
190: ok 12197
190: ok 12198
190: ok 12199
190: ok 12200
190: ok 12201
190: ok 12202
190: ok 12203
190: ok 12204
190: ok 12205
190: ok 12206
190: ok 12207
190: ok 12208
190: ok 12209
190: ok 12210
190: ok 12211
190: ok 12212
190: ok 12213
190: ok 12214
190: ok 12215
190: ok 12216
190: ok 12217
190: ok 12218
190: ok 12219
190: ok 12220
190: ok 12221
190: ok 12222
190: ok 12223
190: ok 12224
190: ok 12225
190: ok 12226
190: ok 12227
190: ok 12228
190: ok 12229
190: ok 12230
190: ok 12231
190: ok 12232
190: ok 12233
190: ok 12234
190: ok 12235
190: ok 12236
190: ok 12237
190: ok 12238
190: ok 12239
190: ok 12240
190: ok 12241
190: ok 12242
190: ok 12243
190: ok 12244
190: ok 12245
190: ok 12246
190: ok 12247
190: ok 12248
190: ok 12249
190: ok 12250
190: ok 12251
190: ok 12252
190: ok 12253
190: ok 12254
190: ok 12255
190: ok 12256
190: ok 12257
190: ok 12258
190: ok 12259
190: ok 12260
190: ok 12261
190: ok 12262
190: ok 12263
190: ok 12264
190: ok 12265
190: ok 12266
190: ok 12267
190: ok 12268
190: ok 12269
190: ok 12270
190: ok 12271
190: ok 12272
190: ok 12273
190: ok 12274
190: ok 12275
190: ok 12276
190: ok 12277
190: ok 12278
190: ok 12279
190: ok 12280
190: ok 12281
190: ok 12282
190: ok 12283
190: ok 12284
190: ok 12285
190: ok 12286
190: ok 12287
190: ok 12288
190: ok 12289
190: ok 12290
190: ok 12291
190: ok 12292
190: ok 12293
190: ok 12294
190: ok 12295
190: ok 12296
190: ok 12297
190: ok 12298
190: ok 12299
190: ok 12300
190: ok 12301
190: ok 12302
190: ok 12303
190: ok 12304
190: ok 12305
190: ok 12306
190: ok 12307
190: ok 12308
190: ok 12309
190: ok 12310
190: ok 12311
190: ok 12312
190: ok 12313
190: ok 12314
190: ok 12315
190: ok 12316
190: ok 12317
190: ok 12318
190: ok 12319
190: ok 12320
190: ok 12321
190: ok 12322
190: ok 12323
190: ok 12324
190: ok 12325
190: ok 12326
190: ok 12327
190: ok 12328
190: ok 12329
190: ok 12330
190: ok 12331
190: ok 12332
190: ok 12333
190: ok 12334
190: ok 12335
190: ok 12336
190: ok 12337
190: ok 12338
190: ok 12339
190: ok 12340
190: ok 12341
190: ok 12342
190: ok 12343
190: ok 12344
190: ok 12345
190: ok 12346
190: ok 12347
190: ok 12348
190: ok 12349
190: ok 12350
190: ok 12351
190: ok 12352
190: ok 12353
190: ok 12354
190: ok 12355
190: ok 12356
190: ok 12357
190: ok 12358
190: ok 12359
190: ok 12360
190: ok 12361
190: ok 12362
190: ok 12363
190: ok 12364
190: ok 12365
190: ok 12366
190: ok 12367
190: ok 12368
190: ok 12369
190: ok 12370
190: ok 12371
190: ok 12372
190: ok 12373
190: ok 12374
190: ok 12375
190: ok 12376
190: ok 12377
190: ok 12378
190: ok 12379
190: ok 12380
190: ok 12381
190: ok 12382
190: ok 12383
190: ok 12384
190: ok 12385
190: ok 12386
190: ok 12387
190: ok 12388
190: ok 12389
190: ok 12390
190: ok 12391
190: ok 12392
190: ok 12393
190: ok 12394
190: ok 12395
190: ok 12396
190: ok 12397
190: ok 12398
190: ok 12399
190: ok 12400
190: ok 12401
190: ok 12402
190: ok 12403
190: ok 12404
190: ok 12405
190: ok 12406
190: ok 12407
190: ok 12408
190: ok 12409
190: ok 12410
190: ok 12411
190: ok 12412
190: ok 12413
190: ok 12414
190: ok 12415
190: ok 12416
190: ok 12417
190: ok 12418
190: ok 12419
190: ok 12420
190: ok 12421
190: ok 12422
190: ok 12423
190: ok 12424
190: ok 12425
190: ok 12426
190: ok 12427
190: ok 12428
190: ok 12429
190: ok 12430
190: ok 12431
190: ok 12432
190: ok 12433
190: ok 12434
190: ok 12435
190: ok 12436
190: ok 12437
190: ok 12438
190: ok 12439
190: ok 12440
190: ok 12441
190: ok 12442
190: ok 12443
190: ok 12444
190: ok 12445
190: ok 12446
190: ok 12447
190: ok 12448
190: ok 12449
190: ok 12450
190: ok 12451
190: ok 12452
190: ok 12453
190: ok 12454
190: ok 12455
190: ok 12456
190: ok 12457
190: ok 12458
190: ok 12459
190: ok 12460
190: ok 12461
190: ok 12462
190: ok 12463
190: ok 12464
190: ok 12465
190: ok 12466
190: ok 12467
190: ok 12468
190: ok 12469
190: ok 12470
190: ok 12471
190: ok 12472
190: ok 12473
190: ok 12474
190: ok 12475
190: ok 12476
190: ok 12477
190: ok 12478
190: ok 12479
190: ok 12480
190: ok 12481
190: ok 12482
190: ok 12483
190: ok 12484
190: ok 12485
190: ok 12486
190: ok 12487
190: ok 12488
190: ok 12489
190: ok 12490
190: ok 12491
190: ok 12492
190: ok 12493
190: ok 12494
190: ok 12495
190: ok 12496
190: ok 12497
190: ok 12498
190: ok 12499
190: ok 12500
190: ok 12501
190: ok 12502
190: ok 12503
190: ok 12504
190: ok 12505
190: ok 12506
190: ok 12507
190: ok 12508
190: ok 12509
190: ok 12510
190: ok 12511
190: ok 12512
190: ok 12513
190: ok 12514
190: ok 12515
190: ok 12516
190: ok 12517
190: ok 12518
190: ok 12519
190: ok 12520
190: ok 12521
190: ok 12522
190: ok 12523
190: ok 12524
190: ok 12525
190: ok 12526
190: ok 12527
190: ok 12528
190: ok 12529
190: ok 12530
190: ok 12531
190: ok 12532
190: ok 12533
190: ok 12534
190: ok 12535
190: ok 12536
190: ok 12537
190: ok 12538
190: ok 12539
190: ok 12540
190: ok 12541
190: ok 12542
190: ok 12543
190: ok 12544
190: ok 12545
190: ok 12546
190: ok 12547
190: ok 12548
190: ok 12549
190: ok 12550
190: ok 12551
190: ok 12552
190: ok 12553
190: ok 12554
190: ok 12555
190: ok 12556
190: ok 12557
190: ok 12558
190: ok 12559
190: ok 12560
190: ok 12561
190: ok 12562
190: ok 12563
190: ok 12564
190: ok 12565
190: ok 12566
190: ok 12567
190: ok 12568
190: ok 12569
190: ok 12570
190: ok 12571
190: ok 12572
190: ok 12573
190: ok 12574
190: ok 12575
190: ok 12576
190: ok 12577
190: ok 12578
190: ok 12579
190: ok 12580
190: ok 12581
190: ok 12582
190: ok 12583
190: ok 12584
190: ok 12585
190: ok 12586
190: ok 12587
190: ok 12588
190: ok 12589
190: ok 12590
190: ok 12591
190: ok 12592
190: ok 12593
190: ok 12594
190: ok 12595
190: ok 12596
190: ok 12597
190: ok 12598
190: ok 12599
190: ok 12600
190: ok 12601
190: ok 12602
190: ok 12603
190: ok 12604
190: ok 12605
190: ok 12606
190: ok 12607
190: ok 12608
190: ok 12609
190: ok 12610
190: ok 12611
190: ok 12612
190: ok 12613
190: ok 12614
190: ok 12615
190: ok 12616
190: ok 12617
190: ok 12618
190: ok 12619
190: ok 12620
190: ok 12621
190: ok 12622
190: ok 12623
190: ok 12624
190: ok 12625
190: ok 12626
190: ok 12627
190: ok 12628
190: ok 12629
190: ok 12630
190: ok 12631
190: ok 12632
190: ok 12633
190: ok 12634
190: ok 12635
190: ok 12636
190: ok 12637
190: ok 12638
190: ok 12639
190: ok 12640
190: ok 12641
190: ok 12642
190: ok 12643
190: ok 12644
190: ok 12645
190: ok 12646
190: ok 12647
190: ok 12648
190: ok 12649
190: ok 12650
190: ok 12651
190: ok 12652
190: ok 12653
190: ok 12654
190: ok 12655
190: ok 12656
190: ok 12657
190: ok 12658
190: ok 12659
190: ok 12660
190: ok 12661
190: ok 12662
190: ok 12663
190: ok 12664
190: ok 12665
190: ok 12666
190: ok 12667
190: ok 12668
190: ok 12669
190: ok 12670
190: ok 12671
190: ok 12672
190: ok 12673
190: ok 12674
190: ok 12675
190: ok 12676
190: ok 12677
190: ok 12678
190: ok 12679
190: ok 12680
190: ok 12681
190: ok 12682
190: ok 12683
190: ok 12684
190: ok 12685
190: ok 12686
190: ok 12687
190: ok 12688
190: ok 12689
190: ok 12690
190: ok 12691
190: ok 12692
190: ok 12693
190: ok 12694
190: ok 12695
190: ok 12696
190: ok 12697
190: ok 12698
190: ok 12699
190: ok 12700
190: ok 12701
190: ok 12702
190: ok 12703
190: ok 12704
190: ok 12705
190: ok 12706
190: ok 12707
190: ok 12708
190: ok 12709
190: ok 12710
190: ok 12711
190: ok 12712
190: ok 12713
190: ok 12714
190: ok 12715
190: ok 12716
190: ok 12717
190: ok 12718
190: ok 12719
190: ok 12720
190: ok 12721
190: ok 12722
190: ok 12723
190: ok 12724
190: ok 12725
190: ok 12726
190: ok 12727
190: ok 12728
190: ok 12729
190: ok 12730
190: ok 12731
190: ok 12732
190: ok 12733
190: ok 12734
190: ok 12735
190: ok 12736
190: ok 12737
190: ok 12738
190: ok 12739
190: ok 12740
190: ok 12741
190: ok 12742
190: ok 12743
190: ok 12744
190: ok 12745
190: ok 12746
190: ok 12747
190: ok 12748
190: ok 12749
190: ok 12750
190: ok 12751
190: ok 12752
190: ok 12753
190: ok 12754
190: ok 12755
190: ok 12756
190: ok 12757
190: ok 12758
190: ok 12759
190: ok 12760
190: ok 12761
190: ok 12762
190: ok 12763
190: ok 12764
190: ok 12765
190: ok 12766
190: ok 12767
190: ok 12768
190: ok 12769
190: ok 12770
190: ok 12771
190: ok 12772
190: ok 12773
190: ok 12774
190: ok 12775
190: ok 12776
190: ok 12777
190: ok 12778
190: ok 12779
190: ok 12780
190: ok 12781
190: ok 12782
190: ok 12783
190: ok 12784
190: ok 12785
190: ok 12786
190: ok 12787
190: ok 12788
190: ok 12789
190: ok 12790
190: ok 12791
190: ok 12792
190: ok 12793
190: ok 12794
190: ok 12795
190: ok 12796
190: ok 12797
190: ok 12798
190: ok 12799
190: ok 12800
190: ok 12801
190: ok 12802
190: ok 12803
190: ok 12804
190: ok 12805
190: ok 12806
190: ok 12807
190: ok 12808
190: ok 12809
190: ok 12810
190: ok 12811
190: ok 12812
190: ok 12813
190: ok 12814
190: ok 12815
190: ok 12816
190: ok 12817
190: ok 12818
190: ok 12819
190: ok 12820
190: ok 12821
190: ok 12822
190: ok 12823
190: ok 12824
190: ok 12825
190: ok 12826
190: ok 12827
190: ok 12828
190: ok 12829
190: ok 12830
190: ok 12831
190: ok 12832
190: ok 12833
190: ok 12834
190: ok 12835
190: ok 12836
190: ok 12837
190: ok 12838
190: ok 12839
190: ok 12840
190: ok 12841
190: ok 12842
190: ok 12843
190: ok 12844
190: ok 12845
190: ok 12846
190: ok 12847
190: ok 12848
190: ok 12849
190: ok 12850
190: ok 12851
190: ok 12852
190: ok 12853
190: ok 12854
190: ok 12855
190: ok 12856
190: ok 12857
190: ok 12858
190: ok 12859
190: ok 12860
190: ok 12861
190: ok 12862
190: ok 12863
190: ok 12864
190: ok 12865
190: ok 12866
190: ok 12867
190: ok 12868
190: ok 12869
190: ok 12870
190: ok 12871
190: ok 12872
190: ok 12873
190: ok 12874
190: ok 12875
190: ok 12876
190: ok 12877
190: ok 12878
190: ok 12879
190: ok 12880
190: ok 12881
190: ok 12882
190: ok 12883
190: ok 12884
190: ok 12885
190: ok 12886
190: ok 12887
190: ok 12888
190: ok 12889
190: ok 12890
190: ok 12891
190: ok 12892
190: ok 12893
190: ok 12894
190: ok 12895
190: ok 12896
190: ok 12897
190: ok 12898
190: ok 12899
190: ok 12900
190: ok 12901
190: ok 12902
190: ok 12903
190: ok 12904
190: ok 12905
190: ok 12906
190: ok 12907
190: ok 12908
190: ok 12909
190: ok 12910
190: ok 12911
190: ok 12912
190: ok 12913
190: ok 12914
190: ok 12915
190: ok 12916
190: ok 12917
190: ok 12918
190: ok 12919
190: ok 12920
190: ok 12921
190: ok 12922
190: ok 12923
190: ok 12924
190: ok 12925
190: ok 12926
190: ok 12927
190: ok 12928
190: ok 12929
190: ok 12930
190: ok 12931
190: ok 12932
190: ok 12933
190: ok 12934
190: ok 12935
190: ok 12936
190: ok 12937
190: ok 12938
190: ok 12939
190: ok 12940
190: ok 12941
190: ok 12942
190: ok 12943
190: ok 12944
190: ok 12945
190: ok 12946
190: ok 12947
190: ok 12948
190: ok 12949
190: ok 12950
190: ok 12951
190: ok 12952
190: ok 12953
190: ok 12954
190: ok 12955
190: ok 12956
190: ok 12957
190: ok 12958
190: ok 12959
190: ok 12960
190: ok 12961
190: ok 12962
190: ok 12963
190: ok 12964
190: ok 12965
190: ok 12966
190: ok 12967
190: ok 12968
190: ok 12969
190: ok 12970
190: ok 12971
190: ok 12972
190: ok 12973
190: ok 12974
190: ok 12975
190: ok 12976
190: ok 12977
190: ok 12978
190: ok 12979
190: ok 12980
190: ok 12981
190: ok 12982
190: ok 12983
190: ok 12984
190: ok 12985
190: ok 12986
190: ok 12987
190: ok 12988
190: ok 12989
190: ok 12990
190: ok 12991
190: ok 12992
190: ok 12993
190: ok 12994
190: ok 12995
190: ok 12996
190: ok 12997
190: ok 12998
190: ok 12999
190: ok 13000
190: ok 13001
190: ok 13002
190: ok 13003
190: ok 13004
190: ok 13005
190: ok 13006
190: ok 13007
190: ok 13008
190: ok 13009
190: ok 13010
190: ok 13011
190: ok 13012
190: ok 13013
190: ok 13014
190: ok 13015
190: ok 13016
190: ok 13017
190: ok 13018
190: ok 13019
190: ok 13020
190: ok 13021
190: ok 13022
190: ok 13023
190: ok 13024
190: ok 13025
190: ok 13026
190: ok 13027
190: ok 13028
190: ok 13029
190: ok 13030
190: ok 13031
190: ok 13032
190: ok 13033
190: ok 13034
190: ok 13035
190: ok 13036
190: ok 13037
190: ok 13038
190: ok 13039
190: ok 13040
190: ok 13041
190: ok 13042
190: ok 13043
190: ok 13044
190: ok 13045
190: ok 13046
190: ok 13047
190: ok 13048
190: ok 13049
190: ok 13050
190: ok 13051
190: ok 13052
190: ok 13053
190: ok 13054
190: ok 13055
190: ok 13056
190: ok 13057
190: ok 13058
190: ok 13059
190: ok 13060
190: ok 13061
190: ok 13062
190: ok 13063
190: ok 13064
190: ok 13065
190: ok 13066
190: ok 13067
190: ok 13068
190: ok 13069
190: ok 13070
190: ok 13071
190: ok 13072
190: ok 13073
190: ok 13074
190: ok 13075
190: ok 13076
190: ok 13077
190: ok 13078
190: ok 13079
190: ok 13080
190: ok 13081
190: ok 13082
190: ok 13083
190: ok 13084
190: ok 13085
190: ok 13086
190: ok 13087
190: ok 13088
190: ok 13089
190: ok 13090
190: ok 13091
190: ok 13092
190: ok 13093
190: ok 13094
190: ok 13095
190: ok 13096
190: ok 13097
190: ok 13098
190: ok 13099
190: ok 13100
190: ok 13101
190: ok 13102
190: ok 13103
190: ok 13104
190: ok 13105
190: ok 13106
190: ok 13107
190: ok 13108
190: ok 13109
190: ok 13110
190: ok 13111
190: ok 13112
190: ok 13113
190: ok 13114
190: ok 13115
190: ok 13116
190: ok 13117
190: ok 13118
190: ok 13119
190: ok 13120
190: ok 13121
190: ok 13122
190: ok 13123
190: ok 13124
190: ok 13125
190: ok 13126
190: ok 13127
190: ok 13128
190: ok 13129
190: ok 13130
190: ok 13131
190: ok 13132
190: ok 13133
190: ok 13134
190: ok 13135
190: ok 13136
190: ok 13137
190: ok 13138
190: ok 13139
190: ok 13140
190: ok 13141
190: ok 13142
190: ok 13143
190: ok 13144
190: ok 13145
190: ok 13146
190: ok 13147
190: ok 13148
190: ok 13149
190: ok 13150
190: ok 13151
190: ok 13152
190: ok 13153
190: ok 13154
190: ok 13155
190: ok 13156
190: ok 13157
190: ok 13158
190: ok 13159
190: ok 13160
190: ok 13161
190: ok 13162
190: ok 13163
190: ok 13164
190: ok 13165
190: ok 13166
190: ok 13167
190: ok 13168
190: ok 13169
190: ok 13170
190: ok 13171
190: ok 13172
190: ok 13173
190: ok 13174
190: ok 13175
190: ok 13176
190: ok 13177
190: ok 13178
190: ok 13179
190: ok 13180
190: ok 13181
190: ok 13182
190: ok 13183
190: ok 13184
190: ok 13185
190: ok 13186
190: ok 13187
190: ok 13188
190: ok 13189
190: ok 13190
190: ok 13191
190: ok 13192
190: ok 13193
190: ok 13194
190: ok 13195
190: ok 13196
190: ok 13197
190: ok 13198
190: ok 13199
190: ok 13200
190: ok 13201
190: ok 13202
190: ok 13203
190: ok 13204
190: ok 13205
190: ok 13206
190: ok 13207
190: ok 13208
190: ok 13209
190: ok 13210
190: ok 13211
190: ok 13212
190: ok 13213
190: ok 13214
190: ok 13215
190: ok 13216
190: ok 13217
190: ok 13218
190: ok 13219
190: ok 13220
190: ok 13221
190: ok 13222
190: ok 13223
190: ok 13224
190: ok 13225
190: ok 13226
190: ok 13227
190: ok 13228
190: ok 13229
190: ok 13230
190: ok 13231
190: ok 13232
190: ok 13233
190: ok 13234
190: ok 13235
190: ok 13236
190: ok 13237
190: ok 13238
190: ok 13239
190: ok 13240
190: ok 13241
190: ok 13242
190: ok 13243
190: ok 13244
190: ok 13245
190: ok 13246
190: ok 13247
190: ok 13248
190: ok 13249
190: ok 13250
190: ok 13251
190: ok 13252
190: ok 13253
190: ok 13254
190: ok 13255
190: ok 13256
190: ok 13257
190: ok 13258
190: ok 13259
190: ok 13260
190: ok 13261
190: ok 13262
190: ok 13263
190: ok 13264
190: ok 13265
190: ok 13266
190: ok 13267
190: ok 13268
190: ok 13269
190: ok 13270
190: ok 13271
190: ok 13272
190: ok 13273
190: ok 13274
190: ok 13275
190: ok 13276
190: ok 13277
190: ok 13278
190: ok 13279
190: ok 13280
190: ok 13281
190: ok 13282
190: ok 13283
190: ok 13284
190: ok 13285
190: ok 13286
190: ok 13287
190: ok 13288
190: ok 13289
190: ok 13290
190: ok 13291
190: ok 13292
190: ok 13293
190: ok 13294
190: ok 13295
190: ok 13296
190: ok 13297
190: ok 13298
190: ok 13299
190: ok 13300
190: ok 13301
190: ok 13302
190: ok 13303
190: ok 13304
190: ok 13305
190: ok 13306
190: ok 13307
190: ok 13308
190: ok 13309
190: ok 13310
190: ok 13311
190: ok 13312
190: ok 13313
190: ok 13314
190: ok 13315
190: ok 13316
190: ok 13317
190: ok 13318
190: ok 13319
190: ok 13320
190: ok 13321
190: ok 13322
190: ok 13323
190: ok 13324
190: ok 13325
190: ok 13326
190: ok 13327
190: ok 13328
190: ok 13329
190: ok 13330
190: ok 13331
190: ok 13332
190: ok 13333
190: ok 13334
190: ok 13335
190: ok 13336
190: ok 13337
190: ok 13338
190: ok 13339
190: ok 13340
190: ok 13341
190: ok 13342
190: ok 13343
190: ok 13344
190: ok 13345
190: ok 13346
190: ok 13347
190: ok 13348
190: ok 13349
190: ok 13350
190: ok 13351
190: ok 13352
190: ok 13353
190: ok 13354
190: ok 13355
190: ok 13356
190: ok 13357
190: ok 13358
190: ok 13359
190: ok 13360
190: ok 13361
190: ok 13362
190: ok 13363
190: ok 13364
190: ok 13365
190: ok 13366
190: ok 13367
190: ok 13368
190: ok 13369
190: ok 13370
190: ok 13371
190: ok 13372
190: ok 13373
190: ok 13374
190: ok 13375
190: ok 13376
190: ok 13377
190: ok 13378
190: ok 13379
190: ok 13380
190: ok 13381
190: ok 13382
190: ok 13383
190: ok 13384
190: ok 13385
190: ok 13386
190: ok 13387
190: ok 13388
190: ok 13389
190: ok 13390
190: ok 13391
190: ok 13392
190: ok 13393
190: ok 13394
190: ok 13395
190: ok 13396
190: ok 13397
190: ok 13398
190: ok 13399
190: ok 13400
190: ok 13401
190: ok 13402
190: ok 13403
190: ok 13404
190: ok 13405
190: ok 13406
190: ok 13407
190: ok 13408
190: ok 13409
190: ok 13410
190: ok 13411
190: ok 13412
190: ok 13413
190: ok 13414
190: ok 13415
190: ok 13416
190: ok 13417
190: ok 13418
190: ok 13419
190: ok 13420
190: ok 13421
190: ok 13422
190: ok 13423
190: ok 13424
190: ok 13425
190: ok 13426
190: ok 13427
190: ok 13428
190: ok 13429
190: ok 13430
190: ok 13431
190: ok 13432
190: ok 13433
190: ok 13434
190: ok 13435
190: ok 13436
190: ok 13437
190: ok 13438
190: ok 13439
190: ok 13440
190: ok 13441
190: ok 13442
190: ok 13443
190: ok 13444
190: ok 13445
190: ok 13446
190: ok 13447
190: ok 13448
190: ok 13449
190: ok 13450
190: ok 13451
190: ok 13452
190: ok 13453
190: ok 13454
190: ok 13455
190: ok 13456
190: ok 13457
190: ok 13458
190: ok 13459
190: ok 13460
190: ok 13461
190: ok 13462
190: ok 13463
190: ok 13464
190: ok 13465
190: ok 13466
190: ok 13467
190: ok 13468
190: ok 13469
190: ok 13470
190: ok 13471
190: ok 13472
190: ok 13473
190: ok 13474
190: ok 13475
190: ok 13476
190: ok 13477
190: ok 13478
190: ok 13479
190: ok 13480
190: ok 13481
190: ok 13482
190: ok 13483
190: ok 13484
190: ok 13485
190: ok 13486
190: ok 13487
190: ok 13488
190: ok 13489
190: ok 13490
190: ok 13491
190: ok 13492
190: ok 13493
190: ok 13494
190: ok 13495
190: ok 13496
190: ok 13497
190: ok 13498
190: ok 13499
190: ok 13500
190: ok 13501
190: ok 13502
190: ok 13503
190: ok 13504
190: ok 13505
190: ok 13506
190: ok 13507
190: ok 13508
190: ok 13509
190: ok 13510
190: ok 13511
190: ok 13512
190: ok 13513
190: ok 13514
190: ok 13515
190: ok 13516
190: ok 13517
190: ok 13518
190: ok 13519
190: ok 13520
190: ok 13521
190: ok 13522
190: ok 13523
190: ok 13524
190: ok 13525
190: ok 13526
190: ok 13527
190: ok 13528
190: ok 13529
190: ok 13530
190: ok 13531
190: ok 13532
190: ok 13533
190: ok 13534
190: ok 13535
190: ok 13536
190: ok 13537
190: ok 13538
190: ok 13539
190: ok 13540
190: ok 13541
190: ok 13542
190: ok 13543
190: ok 13544
190: ok 13545
190: ok 13546
190: ok 13547
190: ok 13548
190: ok 13549
190: ok 13550
190: ok 13551
190: ok 13552
190: ok 13553
190: ok 13554
190: ok 13555
190: ok 13556
190: ok 13557
190: ok 13558
190: ok 13559
190: ok 13560
190: ok 13561
190: ok 13562
190: ok 13563
190: ok 13564
190: ok 13565
190: ok 13566
190: ok 13567
190: ok 13568
190: ok 13569
190: ok 13570
190: ok 13571
190: ok 13572
190: ok 13573
190: ok 13574
190: ok 13575
190: ok 13576
190: ok 13577
190: ok 13578
190: ok 13579
190: ok 13580
190: ok 13581
190: ok 13582
190: ok 13583
190: ok 13584
190: ok 13585
190: ok 13586
190: ok 13587
190: ok 13588
190: ok 13589
190: ok 13590
190: ok 13591
190: ok 13592
190: ok 13593
190: ok 13594
190: ok 13595
190: ok 13596
190: ok 13597
190: ok 13598
190: ok 13599
190: ok 13600
190: ok 13601
190: ok 13602
190: ok 13603
190: ok 13604
190: ok 13605
190: ok 13606
190: ok 13607
190: ok 13608
190: ok 13609
190: ok 13610
190: ok 13611
190: ok 13612
190: ok 13613
190: ok 13614
190: ok 13615
190: ok 13616
190: ok 13617
190: ok 13618
190: ok 13619
190: ok 13620
190: ok 13621
190: ok 13622
190: ok 13623
190: ok 13624
190: ok 13625
190: ok 13626
190: ok 13627
190: ok 13628
190: ok 13629
190: ok 13630
190: ok 13631
190: ok 13632
190: ok 13633
190: ok 13634
190: ok 13635
190: ok 13636
190: ok 13637
190: ok 13638
190: ok 13639
190: ok 13640
190: ok 13641
190: ok 13642
190: ok 13643
190: ok 13644
190: ok 13645
190: ok 13646
190: ok 13647
190: ok 13648
190: ok 13649
190: ok 13650
190: ok 13651
190: ok 13652
190: ok 13653
190: ok 13654
190: ok 13655
190: ok 13656
190: ok 13657
190: ok 13658
190: ok 13659
190: ok 13660
190: ok 13661
190: ok 13662
190: ok 13663
190: ok 13664
190: ok 13665
190: ok 13666
190: ok 13667
190: ok 13668
190: ok 13669
190: ok 13670
190: ok 13671
190: ok 13672
190: ok 13673
190: ok 13674
190: ok 13675
190: ok 13676
190: ok 13677
190: ok 13678
190: ok 13679
190: ok 13680
190: ok 13681
190: ok 13682
190: ok 13683
190: ok 13684
190: ok 13685
190: ok 13686
190: ok 13687
190: ok 13688
190: ok 13689
190: ok 13690
190: ok 13691
190: ok 13692
190: ok 13693
190: ok 13694
190: ok 13695
190: ok 13696
190: ok 13697
190: ok 13698
190: ok 13699
190: ok 13700
190: ok 13701
190: ok 13702
190: ok 13703
190: ok 13704
190: ok 13705
190: ok 13706
190: ok 13707
190: ok 13708
190: ok 13709
190: ok 13710
190: ok 13711
190: ok 13712
190: ok 13713
190: ok 13714
190: ok 13715
190: ok 13716
190: ok 13717
190: ok 13718
190: ok 13719
190: ok 13720
190: ok 13721
190: ok 13722
190: ok 13723
190: ok 13724
190: ok 13725
190: ok 13726
190: ok 13727
190: ok 13728
190: ok 13729
190: ok 13730
190: ok 13731
190: ok 13732
190: ok 13733
190: ok 13734
190: ok 13735
190: ok 13736
190: ok 13737
190: ok 13738
190: ok 13739
190: ok 13740
190: ok 13741
190: ok 13742
190: ok 13743
190: ok 13744
190: ok 13745
190: ok 13746
190: ok 13747
190: ok 13748
190: ok 13749
190: ok 13750
190: ok 13751
190: ok 13752
190: ok 13753
190: ok 13754
190: ok 13755
190: ok 13756
190: ok 13757
190: ok 13758
190: ok 13759
190: ok 13760
190: ok 13761
190: ok 13762
190: ok 13763
190: ok 13764
190: ok 13765
190: ok 13766
190: ok 13767
190: ok 13768
190: ok 13769
190: ok 13770
190: ok 13771
190: ok 13772
190: ok 13773
190: ok 13774
190: ok 13775
190: ok 13776
190: ok 13777
190: ok 13778
190: ok 13779
190: ok 13780
190: ok 13781
190: ok 13782
190: ok 13783
190: ok 13784
190: ok 13785
190: ok 13786
190: ok 13787
190: ok 13788
190: ok 13789
190: ok 13790
190: ok 13791
190: ok 13792
190: ok 13793
190: ok 13794
190: ok 13795
190: ok 13796
190: ok 13797
190: ok 13798
190: ok 13799
190: ok 13800
190: ok 13801
190: ok 13802
190: ok 13803
190: ok 13804
190: ok 13805
190: ok 13806
190: ok 13807
190: ok 13808
190: ok 13809
190: ok 13810
190: ok 13811
190: ok 13812
190: ok 13813
190: ok 13814
190: ok 13815
190: ok 13816
190: ok 13817
190: ok 13818
190: ok 13819
190: ok 13820
190: ok 13821
190: ok 13822
190: ok 13823
190: ok 13824
190: ok 13825
190: ok 13826
190: ok 13827
190: ok 13828
190: ok 13829
190: ok 13830
190: ok 13831
190: ok 13832
190: ok 13833
190: ok 13834
190: ok 13835
190: ok 13836
190: ok 13837
190: ok 13838
190: ok 13839
190: ok 13840
190: ok 13841
190: ok 13842
190: ok 13843
190: ok 13844
190: ok 13845
190: ok 13846
190: ok 13847
190: ok 13848
190: ok 13849
190: ok 13850
190: ok 13851
190: ok 13852
190: ok 13853
190: ok 13854
190: ok 13855
190: ok 13856
190: ok 13857
190: ok 13858
190: ok 13859
190: ok 13860
190: ok 13861
190: ok 13862
190: ok 13863
190: ok 13864
190: ok 13865
190: ok 13866
190: ok 13867
190: ok 13868
190: ok 13869
190: ok 13870
190: ok 13871
190: ok 13872
190: ok 13873
190: ok 13874
190: ok 13875
190: ok 13876
190: ok 13877
190: ok 13878
190: ok 13879
190: ok 13880
190: ok 13881
190: ok 13882
190: ok 13883
190: ok 13884
190: ok 13885
190: ok 13886
190: ok 13887
190: ok 13888
190: ok 13889
190: ok 13890
190: ok 13891
190: ok 13892
190: ok 13893
190: ok 13894
190: ok 13895
190: ok 13896
190: ok 13897
190: ok 13898
190: ok 13899
190: ok 13900
190: ok 13901
190: ok 13902
190: ok 13903
190: ok 13904
190: ok 13905
190: ok 13906
190: ok 13907
190: ok 13908
190: ok 13909
190: ok 13910
190: ok 13911
190: ok 13912
190: ok 13913
190: ok 13914
190: ok 13915
190: ok 13916
190: ok 13917
190: ok 13918
190: ok 13919
190: ok 13920
190: ok 13921
190: ok 13922
190: ok 13923
190: ok 13924
190: ok 13925
190: ok 13926
190: ok 13927
190: ok 13928
190: ok 13929
190: ok 13930
190: ok 13931
190: ok 13932
190: ok 13933
190: ok 13934
190: ok 13935
190: ok 13936
190: ok 13937
190: ok 13938
190: ok 13939
190: ok 13940
190: ok 13941
190: ok 13942
190: ok 13943
190: ok 13944
190: ok 13945
190: ok 13946
190: ok 13947
190: ok 13948
190: ok 13949
190: ok 13950
190: ok 13951
190: ok 13952
190: ok 13953
190: ok 13954
190: ok 13955
190: ok 13956
190: ok 13957
190: ok 13958
190: ok 13959
190: ok 13960
190: ok 13961
190: ok 13962
190: ok 13963
190: ok 13964
190: ok 13965
190: ok 13966
190: ok 13967
190: ok 13968
190: ok 13969
190: ok 13970
190: ok 13971
190: ok 13972
190: ok 13973
190: ok 13974
190: ok 13975
190: ok 13976
190: ok 13977
190: ok 13978
190: ok 13979
190: ok 13980
190: ok 13981
190: ok 13982
190: ok 13983
190: ok 13984
190: ok 13985
190: ok 13986
190: ok 13987
190: ok 13988
190: ok 13989
190: ok 13990
190: ok 13991
190: ok 13992
190: ok 13993
190: ok 13994
190: ok 13995
190: ok 13996
190: ok 13997
190: ok 13998
190: ok 13999
190: ok 14000
190: ok 14001
190: ok 14002
190: ok 14003
190: ok 14004
190: ok 14005
190: ok 14006
190: ok 14007
190: ok 14008
190: ok 14009
190: ok 14010
190: ok 14011
190: ok 14012
190: ok 14013
190: ok 14014
190: ok 14015
190: ok 14016
190: ok 14017
190: ok 14018
190: ok 14019
190: ok 14020
190: ok 14021
190: ok 14022
190: ok 14023
190: ok 14024
190: ok 14025
190: ok 14026
190: ok 14027
190: ok 14028
190: ok 14029
190: ok 14030
190: ok 14031
190: ok 14032
190: ok 14033
190: ok 14034
190: ok 14035
190: ok 14036
190: ok 14037
190: ok 14038
190: ok 14039
190: ok 14040
190: ok 14041
190: ok 14042
190: ok 14043
190: ok 14044
190: ok 14045
190: ok 14046
190: ok 14047
190: ok 14048
190: ok 14049
190: ok 14050
190: ok 14051
190: ok 14052
190: ok 14053
190: ok 14054
190: ok 14055
190: ok 14056
190: ok 14057
190: ok 14058
190: ok 14059
190: ok 14060
190: ok 14061
190: ok 14062
190: ok 14063
190: ok 14064
190: ok 14065
190: ok 14066
190: ok 14067
190: ok 14068
190: ok 14069
190: ok 14070
190: ok 14071
190: ok 14072
190: ok 14073
190: ok 14074
190: ok 14075
190: ok 14076
190: ok 14077
190: ok 14078
190: ok 14079
190: ok 14080
190: ok 14081
190: ok 14082
190: ok 14083
190: ok 14084
190: ok 14085
190: ok 14086
190: ok 14087
190: ok 14088
190: ok 14089
190: ok 14090
190: ok 14091
190: ok 14092
190: ok 14093
190: ok 14094
190: ok 14095
190: ok 14096
190: ok 14097
190: ok 14098
190: ok 14099
190: ok 14100
190: ok 14101
190: ok 14102
190: ok 14103
190: ok 14104
190: ok 14105
190: ok 14106
190: ok 14107
190: ok 14108
190: ok 14109
190: ok 14110
190: ok 14111
190: ok 14112
190: ok 14113
190: ok 14114
190: ok 14115
190: ok 14116
190: ok 14117
190: ok 14118
190: ok 14119
190: ok 14120
190: ok 14121
190: ok 14122
190: ok 14123
190: ok 14124
190: ok 14125
190: ok 14126
190: ok 14127
190: ok 14128
190: ok 14129
190: ok 14130
190: ok 14131
190: ok 14132
190: ok 14133
190: ok 14134
190: ok 14135
190: ok 14136
190: ok 14137
190: ok 14138
190: ok 14139
190: ok 14140
190: ok 14141
190: ok 14142
190: ok 14143
190: ok 14144
190: ok 14145
190: ok 14146
190: ok 14147
190: ok 14148
190: ok 14149
190: ok 14150
190: ok 14151
190: ok 14152
190: ok 14153
190: ok 14154
190: ok 14155
190: ok 14156
190: ok 14157
190: ok 14158
190: ok 14159
190: ok 14160
190: ok 14161
190: ok 14162
190: ok 14163
190: ok 14164
190: ok 14165
190: ok 14166
190: ok 14167
190: ok 14168
190: ok 14169
190: ok 14170
190: ok 14171
190: ok 14172
190: ok 14173
190: ok 14174
190: ok 14175
190: ok 14176
190: ok 14177
190: ok 14178
190: ok 14179
190: ok 14180
190: ok 14181
190: ok 14182
190: ok 14183
190: ok 14184
190: ok 14185
190: ok 14186
190: ok 14187
190: ok 14188
190: ok 14189
190: ok 14190
190: ok 14191
190: ok 14192
190: ok 14193
190: ok 14194
190: ok 14195
190: ok 14196
190: ok 14197
190: ok 14198
190: ok 14199
190: ok 14200
190: ok 14201
190: ok 14202
190: ok 14203
190: ok 14204
190: ok 14205
190: ok 14206
190: ok 14207
190: ok 14208
190: ok 14209
190: ok 14210
190: ok 14211
190: ok 14212
190: ok 14213
190: ok 14214
190: ok 14215
190: ok 14216
190: ok 14217
190: ok 14218
190: ok 14219
190: ok 14220
190: ok 14221
190: ok 14222
190: ok 14223
190: ok 14224
190: ok 14225
190: ok 14226
190: ok 14227
190: ok 14228
190: ok 14229
190: ok 14230
190: ok 14231
190: ok 14232
190: ok 14233
190: ok 14234
190: ok 14235
190: ok 14236
190: ok 14237
190: ok 14238
190: ok 14239
190: ok 14240
190: ok 14241
190: ok 14242
190: ok 14243
190: ok 14244
190: ok 14245
190: ok 14246
190: ok 14247
190: ok 14248
190: ok 14249
190: ok 14250
190: ok 14251
190: ok 14252
190: ok 14253
190: ok 14254
190: ok 14255
190: ok 14256
190: ok 14257
190: ok 14258
190: ok 14259
190: ok 14260
190: ok 14261
190: ok 14262
190: ok 14263
190: ok 14264
190: ok 14265
190: ok 14266
190: ok 14267
190: ok 14268
190: ok 14269
190: ok 14270
190: ok 14271
190: ok 14272
190: ok 14273
190: ok 14274
190: ok 14275
190: ok 14276
190: ok 14277
190: ok 14278
190: ok 14279
190: ok 14280
190: ok 14281
190: ok 14282
190: ok 14283
190: ok 14284
190: ok 14285
190: ok 14286
190: ok 14287
190: ok 14288
190: ok 14289
190: ok 14290
190: ok 14291
190: ok 14292
190: ok 14293
190: ok 14294
190: ok 14295
190: ok 14296
190: ok 14297
190: ok 14298
190: ok 14299
190: ok 14300
190: ok 14301
190: ok 14302
190: ok 14303
190: ok 14304
190: ok 14305
190: ok 14306
190: ok 14307
190: ok 14308
190: ok 14309
190: ok 14310
190: ok 14311
190: ok 14312
190: ok 14313
190: ok 14314
190: ok 14315
190: ok 14316
190: ok 14317
190: ok 14318
190: ok 14319
190: ok 14320
190: ok 14321
190: ok 14322
190: ok 14323
190: ok 14324
190: ok 14325
190: ok 14326
190: ok 14327
190: ok 14328
190: ok 14329
190: ok 14330
190: ok 14331
190: ok 14332
190: ok 14333
190: ok 14334
190: ok 14335
190: ok 14336
190: ok 14337
190: ok 14338
190: ok 14339
190: ok 14340
190: ok 14341
190: ok 14342
190: ok 14343
190: ok 14344
190: ok 14345
190: ok 14346
190: ok 14347
190: ok 14348
190: ok 14349
190: ok 14350
190: ok 14351
190: ok 14352
190: ok 14353
190: ok 14354
190: ok 14355
190: ok 14356
190: ok 14357
190: ok 14358
190: ok 14359
190: ok 14360
190: ok 14361
190: ok 14362
190: ok 14363
190: ok 14364
190: ok 14365
190: ok 14366
190: ok 14367
190: ok 14368
190: ok 14369
190: ok 14370
190: ok 14371
190: ok 14372
190: ok 14373
190: ok 14374
190: ok 14375
190: ok 14376
190: ok 14377
190: ok 14378
190: ok 14379
190: ok 14380
190: ok 14381
190: ok 14382
190: ok 14383
190: ok 14384
190: ok 14385
190: ok 14386
190: ok 14387
190: ok 14388
190: ok 14389
190: ok 14390
190: ok 14391
190: ok 14392
190: ok 14393
190: ok 14394
190: ok 14395
190: ok 14396
190: ok 14397
190: ok 14398
190: ok 14399
190: ok 14400
190: ok 14401
190: ok 14402
190: ok 14403
190: ok 14404
190: ok 14405
190: ok 14406
190: ok 14407
190: ok 14408
190: ok 14409
190: ok 14410
190: ok 14411
190: ok 14412
190: ok 14413
190: ok 14414
190: ok 14415
190: ok 14416
190: ok 14417
190: ok 14418
190: ok 14419
190: ok 14420
190: ok 14421
190: ok 14422
190: ok 14423
190: ok 14424
190: ok 14425
190: ok 14426
190: ok 14427
190: ok 14428
190: ok 14429
190: ok 14430
190: ok 14431
190: ok 14432
190: ok 14433
190: ok 14434
190: ok 14435
190: ok 14436
190: ok 14437
190: ok 14438
190: ok 14439
190: ok 14440
190: ok 14441
190: ok 14442
190: ok 14443
190: ok 14444
190: ok 14445
190: ok 14446
190: ok 14447
190: ok 14448
190: ok 14449
190: ok 14450
190: ok 14451
190: ok 14452
190: ok 14453
190: ok 14454
190: ok 14455
190: ok 14456
190: ok 14457
190: ok 14458
190: ok 14459
190: ok 14460
190: ok 14461
190: ok 14462
190: ok 14463
190: ok 14464
190: ok 14465
190: ok 14466
190: ok 14467
190: ok 14468
190: ok 14469
190: ok 14470
190: ok 14471
190: ok 14472
190: ok 14473
190: ok 14474
190: ok 14475
190: ok 14476
190: ok 14477
190: ok 14478
190: ok 14479
190: ok 14480
190: ok 14481
190: ok 14482
190: ok 14483
190: ok 14484
190: ok 14485
190: ok 14486
190: ok 14487
190: ok 14488
190: ok 14489
190: ok 14490
190: ok 14491
190: ok 14492
190: ok 14493
190: ok 14494
190: ok 14495
190: ok 14496
190: ok 14497
190: ok 14498
190: ok 14499
190: ok 14500
190: ok 14501
190: ok 14502
190: ok 14503
190: ok 14504
190: ok 14505
190: ok 14506
190: ok 14507
190: ok 14508
190: ok 14509
190: ok 14510
190: ok 14511
190: ok 14512
190: ok 14513
190: ok 14514
190: ok 14515
190: ok 14516
190: ok 14517
190: ok 14518
190: ok 14519
190: ok 14520
190: ok 14521
190: ok 14522
190: ok 14523
190: ok 14524
190: ok 14525
190: ok 14526
190: ok 14527
190: ok 14528
190: ok 14529
190: ok 14530
190: ok 14531
190: ok 14532
190: ok 14533
190: ok 14534
190: ok 14535
190: ok 14536
190: ok 14537
190: ok 14538
190: ok 14539
190: ok 14540
190: ok 14541
190: ok 14542
190: ok 14543
190: ok 14544
190: ok 14545
190: ok 14546
190: ok 14547
190: ok 14548
190: ok 14549
190: ok 14550
190: ok 14551
190: ok 14552
190: ok 14553
190: ok 14554
190: ok 14555
190: ok 14556
190: ok 14557
190: ok 14558
190: ok 14559
190: ok 14560
190: ok 14561
190: ok 14562
190: ok 14563
190: ok 14564
190: ok 14565
190: ok 14566
190: ok 14567
190: ok 14568
190: ok 14569
190: ok 14570
190: ok 14571
190: ok 14572
190: ok 14573
190: ok 14574
190: ok 14575
190: ok 14576
190: ok 14577
190: ok 14578
190: ok 14579
190: ok 14580
190: ok 14581
190: ok 14582
190: ok 14583
190: ok 14584
190: ok 14585
190: ok 14586
190: ok 14587
190: ok 14588
190: ok 14589
190: ok 14590
190: ok 14591
190: ok 14592
190: ok 14593
190: ok 14594
190: ok 14595
190: ok 14596
190: ok 14597
190: ok 14598
190: ok 14599
190: ok 14600
190: ok 14601
190: ok 14602
190: ok 14603
190: ok 14604
190: ok 14605
190: ok 14606
190: ok 14607
190: ok 14608
190: ok 14609
190: ok 14610
190: ok 14611
190: ok 14612
190: ok 14613
190: ok 14614
190: ok 14615
190: ok 14616
190: ok 14617
190: ok 14618
190: ok 14619
190: ok 14620
190: ok 14621
190: ok 14622
190: ok 14623
190: ok 14624
190: ok 14625
190: ok 14626
190: ok 14627
190: ok 14628
190: ok 14629
190: ok 14630
190: ok 14631
190: ok 14632
190: ok 14633
190: ok 14634
190: ok 14635
190: ok 14636
190: ok 14637
190: ok 14638
190: ok 14639
190: ok 14640
190: ok 14641
190: ok 14642
190: ok 14643
190: ok 14644
190: ok 14645
190: ok 14646
190: ok 14647
190: ok 14648
190: ok 14649
190: ok 14650
190: ok 14651
190: ok 14652
190: ok 14653
190: ok 14654
190: ok 14655
190: ok 14656
190: ok 14657
190: ok 14658
190: ok 14659
190: ok 14660
190: ok 14661
190: ok 14662
190: ok 14663
190: ok 14664
190: ok 14665
190: ok 14666
190: ok 14667
190: ok 14668
190: ok 14669
190: ok 14670
190: ok 14671
190: ok 14672
190: ok 14673
190: ok 14674
190: ok 14675
190: ok 14676
190: ok 14677
190: ok 14678
190: ok 14679
190: ok 14680
190: ok 14681
190: ok 14682
190: ok 14683
190: ok 14684
190: ok 14685
190: ok 14686
190: ok 14687
190: ok 14688
190: ok 14689
190: ok 14690
190: ok 14691
190: ok 14692
190: ok 14693
190: ok 14694
190: ok 14695
190: ok 14696
190: ok 14697
190: ok 14698
190: ok 14699
190: ok 14700
190: ok 14701
190: ok 14702
190: ok 14703
190: ok 14704
190: ok 14705
190: ok 14706
190: ok 14707
190: ok 14708
190: ok 14709
190: ok 14710
190: ok 14711
190: ok 14712
190: ok 14713
190: ok 14714
190: ok 14715
190: ok 14716
190: ok 14717
190: ok 14718
190: ok 14719
190: ok 14720
190: ok 14721
190: ok 14722
190: ok 14723
190: ok 14724
190: ok 14725
190: ok 14726
190: ok 14727
190: ok 14728
190: ok 14729
190: ok 14730
190: ok 14731
190: ok 14732
190: ok 14733
190: ok 14734
190: ok 14735
190: ok 14736
190: ok 14737
190: ok 14738
190: ok 14739
190: ok 14740
190: ok 14741
190: ok 14742
190: ok 14743
190: ok 14744
190: ok 14745
190: ok 14746
190: ok 14747
190: ok 14748
190: ok 14749
190: ok 14750
190: ok 14751
190: ok 14752
190: ok 14753
190: ok 14754
190: ok 14755
190: ok 14756
190: ok 14757
190: ok 14758
190: ok 14759
190: ok 14760
190: ok 14761
190: ok 14762
190: ok 14763
190: ok 14764
190: ok 14765
190: ok 14766
190: ok 14767
190: ok 14768
190: ok 14769
190: ok 14770
190: ok 14771
190: ok 14772
190: ok 14773
190: ok 14774
190: ok 14775
190: ok 14776
190: ok 14777
190: ok 14778
190: ok 14779
190: ok 14780
190: ok 14781
190: ok 14782
190: ok 14783
190: ok 14784
190: ok 14785
190: ok 14786
190: ok 14787
190: ok 14788
190: ok 14789
190: ok 14790
190: ok 14791
190: ok 14792
190: ok 14793
190: ok 14794
190: ok 14795
190: ok 14796
190: ok 14797
190: ok 14798
190: ok 14799
190: ok 14800
190: ok 14801
190: ok 14802
190: ok 14803
190: ok 14804
190: ok 14805
190: ok 14806
190: ok 14807
190: ok 14808
190: ok 14809
190: ok 14810
190: ok 14811
190: ok 14812
190: ok 14813
190: ok 14814
190: ok 14815
190: ok 14816
190: ok 14817
190: ok 14818
190: ok 14819
190: ok 14820
190: ok 14821
190: ok 14822
190: ok 14823
190: ok 14824
190: ok 14825
190: ok 14826
190: ok 14827
190: ok 14828
190: ok 14829
190: ok 14830
190: ok 14831
190: ok 14832
190: ok 14833
190: ok 14834
190: ok 14835
190: ok 14836
190: ok 14837
190: ok 14838
190: ok 14839
190: ok 14840
190: ok 14841
190: ok 14842
190: ok 14843
190: ok 14844
190: ok 14845
190: ok 14846
190: ok 14847
190: ok 14848
190: ok 14849
190: ok 14850
190: ok 14851
190: ok 14852
190: ok 14853
190: ok 14854
190: ok 14855
190: ok 14856
190: ok 14857
190: ok 14858
190: ok 14859
190: ok 14860
190: ok 14861
190: ok 14862
190: ok 14863
190: ok 14864
190: ok 14865
190: ok 14866
190: ok 14867
190: ok 14868
190: ok 14869
190: ok 14870
190: ok 14871
190: ok 14872
190: ok 14873
190: ok 14874
190: ok 14875
190: ok 14876
190: ok 14877
190: ok 14878
190: ok 14879
190: ok 14880
190: ok 14881
190: ok 14882
190: ok 14883
190: ok 14884
190: ok 14885
190: ok 14886
190: ok 14887
190: ok 14888
190: ok 14889
190: ok 14890
190: ok 14891
190: ok 14892
190: ok 14893
190: ok 14894
190: ok 14895
190: ok 14896
190: ok 14897
190: ok 14898
190: ok 14899
190: ok 14900
190: ok 14901
190: ok 14902
190: ok 14903
190: ok 14904
190: ok 14905
190: ok 14906
190: ok 14907
190: ok 14908
190: ok 14909
190: ok 14910
190: ok 14911
190: ok 14912
190: ok 14913
190: ok 14914
190: ok 14915
190: ok 14916
190: ok 14917
190: ok 14918
190: ok 14919
190: ok 14920
190: ok 14921
190: ok 14922
190: ok 14923
190: ok 14924
190: ok 14925
190: ok 14926
190: ok 14927
190: ok 14928
190: ok 14929
190: ok 14930
190: ok 14931
190: ok 14932
190: ok 14933
190: ok 14934
190: ok 14935
190: ok 14936
190: ok 14937
190: ok 14938
190: ok 14939
190: ok 14940
190: ok 14941
190: ok 14942
190: ok 14943
190: ok 14944
190: ok 14945
190: ok 14946
190: ok 14947
190: ok 14948
190: ok 14949
190: ok 14950
190: ok 14951
190: ok 14952
190: ok 14953
190: ok 14954
190: ok 14955
190: ok 14956
190: ok 14957
190: ok 14958
190: ok 14959
190: ok 14960
190: ok 14961
190: ok 14962
190: ok 14963
190: ok 14964
190: ok 14965
190: ok 14966
190: ok 14967
190: ok 14968
190: ok 14969
190: ok 14970
190: ok 14971
190: ok 14972
190: ok 14973
190: ok 14974
190: ok 14975
190: ok 14976
190: ok 14977
190: ok 14978
190: ok 14979
190: ok 14980
190: ok 14981
190: ok 14982
190: ok 14983
190: ok 14984
190: ok 14985
190: ok 14986
190: ok 14987
190: ok 14988
190: ok 14989
190: ok 14990
190: ok 14991
190: ok 14992
190: ok 14993
190: ok 14994
190: ok 14995
190: ok 14996
190: ok 14997
190: ok 14998
190: ok 14999
190: ok 15000
190: # math: passed testBasics_vector3
190: # math: entering testBasics_matrix3x3
190: ok 15001
190: ok 15002
190: ok 15003
190: ok 15004
190: ok 15005
190: ok 15006
190: ok 15007
190: ok 15008
190: ok 15009
190: ok 15010
190: ok 15011
190: ok 15012
190: ok 15013
190: ok 15014
190: ok 15015
190: ok 15016
190: ok 15017
190: ok 15018
190: ok 15019
190: ok 15020
190: ok 15021
190: ok 15022
190: ok 15023
190: ok 15024
190: ok 15025
190: ok 15026
190: ok 15027
190: ok 15028
190: ok 15029
190: ok 15030
190: ok 15031
190: ok 15032
190: ok 15033
190: ok 15034
190: ok 15035
190: ok 15036
190: ok 15037
190: ok 15038
190: ok 15039
190: ok 15040
190: ok 15041
190: ok 15042
190: ok 15043
190: ok 15044
190: ok 15045
190: ok 15046
190: ok 15047
190: ok 15048
190: ok 15049
190: ok 15050
190: ok 15051
190: ok 15052
190: ok 15053
190: ok 15054
190: ok 15055
190: ok 15056
190: ok 15057
190: ok 15058
190: ok 15059
190: ok 15060
190: ok 15061
190: ok 15062
190: ok 15063
190: ok 15064
190: ok 15065
190: ok 15066
190: ok 15067
190: ok 15068
190: ok 15069
190: ok 15070
190: ok 15071
190: ok 15072
190: ok 15073
190: ok 15074
190: ok 15075
190: ok 15076
190: ok 15077
190: ok 15078
190: ok 15079
190: ok 15080
190: ok 15081
190: ok 15082
190: ok 15083
190: ok 15084
190: ok 15085
190: ok 15086
190: ok 15087
190: ok 15088
190: ok 15089
190: ok 15090
190: ok 15091
190: ok 15092
190: ok 15093
190: ok 15094
190: ok 15095
190: ok 15096
190: ok 15097
190: ok 15098
190: ok 15099
190: ok 15100
190: ok 15101
190: ok 15102
190: ok 15103
190: ok 15104
190: ok 15105
190: ok 15106
190: ok 15107
190: ok 15108
190: ok 15109
190: ok 15110
190: ok 15111
190: ok 15112
190: ok 15113
190: ok 15114
190: ok 15115
190: ok 15116
190: ok 15117
190: ok 15118
190: ok 15119
190: ok 15120
190: ok 15121
190: ok 15122
190: ok 15123
190: ok 15124
190: ok 15125
190: ok 15126
190: ok 15127
190: ok 15128
190: ok 15129
190: ok 15130
190: ok 15131
190: ok 15132
190: ok 15133
190: ok 15134
190: ok 15135
190: ok 15136
190: ok 15137
190: ok 15138
190: ok 15139
190: ok 15140
190: ok 15141
190: ok 15142
190: ok 15143
190: ok 15144
190: ok 15145
190: ok 15146
190: ok 15147
190: ok 15148
190: ok 15149
190: ok 15150
190: ok 15151
190: ok 15152
190: ok 15153
190: ok 15154
190: ok 15155
190: ok 15156
190: ok 15157
190: ok 15158
190: ok 15159
190: ok 15160
190: ok 15161
190: ok 15162
190: ok 15163
190: ok 15164
190: ok 15165
190: ok 15166
190: ok 15167
190: ok 15168
190: ok 15169
190: ok 15170
190: ok 15171
190: ok 15172
190: ok 15173
190: ok 15174
190: ok 15175
190: ok 15176
190: ok 15177
190: ok 15178
190: ok 15179
190: ok 15180
190: ok 15181
190: ok 15182
190: ok 15183
190: ok 15184
190: ok 15185
190: ok 15186
190: ok 15187
190: ok 15188
190: ok 15189
190: ok 15190
190: ok 15191
190: ok 15192
190: ok 15193
190: ok 15194
190: ok 15195
190: ok 15196
190: ok 15197
190: ok 15198
190: ok 15199
190: ok 15200
190: ok 15201
190: ok 15202
190: ok 15203
190: ok 15204
190: ok 15205
190: ok 15206
190: ok 15207
190: ok 15208
190: ok 15209
190: ok 15210
190: ok 15211
190: ok 15212
190: ok 15213
190: ok 15214
190: ok 15215
190: ok 15216
190: ok 15217
190: ok 15218
190: ok 15219
190: ok 15220
190: ok 15221
190: ok 15222
190: ok 15223
190: ok 15224
190: ok 15225
190: ok 15226
190: ok 15227
190: ok 15228
190: ok 15229
190: ok 15230
190: ok 15231
190: ok 15232
190: ok 15233
190: ok 15234
190: ok 15235
190: ok 15236
190: ok 15237
190: ok 15238
190: ok 15239
190: ok 15240
190: ok 15241
190: ok 15242
190: ok 15243
190: ok 15244
190: ok 15245
190: ok 15246
190: ok 15247
190: ok 15248
190: ok 15249
190: ok 15250
190: ok 15251
190: ok 15252
190: ok 15253
190: ok 15254
190: ok 15255
190: ok 15256
190: ok 15257
190: ok 15258
190: ok 15259
190: ok 15260
190: ok 15261
190: ok 15262
190: ok 15263
190: ok 15264
190: ok 15265
190: ok 15266
190: ok 15267
190: ok 15268
190: ok 15269
190: ok 15270
190: ok 15271
190: ok 15272
190: ok 15273
190: ok 15274
190: ok 15275
190: ok 15276
190: ok 15277
190: ok 15278
190: ok 15279
190: ok 15280
190: ok 15281
190: ok 15282
190: ok 15283
190: ok 15284
190: ok 15285
190: ok 15286
190: ok 15287
190: ok 15288
190: ok 15289
190: ok 15290
190: ok 15291
190: ok 15292
190: ok 15293
190: ok 15294
190: ok 15295
190: ok 15296
190: ok 15297
190: ok 15298
190: ok 15299
190: ok 15300
190: ok 15301
190: ok 15302
190: ok 15303
190: ok 15304
190: ok 15305
190: ok 15306
190: ok 15307
190: ok 15308
190: ok 15309
190: ok 15310
190: ok 15311
190: ok 15312
190: ok 15313
190: ok 15314
190: ok 15315
190: ok 15316
190: ok 15317
190: ok 15318
190: ok 15319
190: ok 15320
190: ok 15321
190: ok 15322
190: ok 15323
190: ok 15324
190: ok 15325
190: ok 15326
190: ok 15327
190: ok 15328
190: ok 15329
190: ok 15330
190: ok 15331
190: ok 15332
190: ok 15333
190: ok 15334
190: ok 15335
190: ok 15336
190: ok 15337
190: ok 15338
190: ok 15339
190: ok 15340
190: ok 15341
190: ok 15342
190: ok 15343
190: ok 15344
190: ok 15345
190: ok 15346
190: ok 15347
190: ok 15348
190: ok 15349
190: ok 15350
190: ok 15351
190: ok 15352
190: ok 15353
190: ok 15354
190: ok 15355
190: ok 15356
190: ok 15357
190: ok 15358
190: ok 15359
190: ok 15360
190: ok 15361
190: ok 15362
190: ok 15363
190: ok 15364
190: ok 15365
190: ok 15366
190: ok 15367
190: ok 15368
190: ok 15369
190: ok 15370
190: ok 15371
190: ok 15372
190: ok 15373
190: ok 15374
190: ok 15375
190: ok 15376
190: ok 15377
190: ok 15378
190: ok 15379
190: ok 15380
190: ok 15381
190: ok 15382
190: ok 15383
190: ok 15384
190: ok 15385
190: ok 15386
190: ok 15387
190: ok 15388
190: ok 15389
190: ok 15390
190: ok 15391
190: ok 15392
190: ok 15393
190: ok 15394
190: ok 15395
190: ok 15396
190: ok 15397
190: ok 15398
190: ok 15399
190: ok 15400
190: ok 15401
190: ok 15402
190: ok 15403
190: ok 15404
190: ok 15405
190: ok 15406
190: ok 15407
190: ok 15408
190: ok 15409
190: ok 15410
190: ok 15411
190: ok 15412
190: ok 15413
190: ok 15414
190: ok 15415
190: ok 15416
190: ok 15417
190: ok 15418
190: ok 15419
190: ok 15420
190: ok 15421
190: ok 15422
190: ok 15423
190: ok 15424
190: ok 15425
190: ok 15426
190: ok 15427
190: ok 15428
190: ok 15429
190: ok 15430
190: ok 15431
190: ok 15432
190: ok 15433
190: ok 15434
190: ok 15435
190: ok 15436
190: ok 15437
190: ok 15438
190: ok 15439
190: ok 15440
190: ok 15441
190: ok 15442
190: ok 15443
190: ok 15444
190: ok 15445
190: ok 15446
190: ok 15447
190: ok 15448
190: ok 15449
190: ok 15450
190: ok 15451
190: ok 15452
190: ok 15453
190: ok 15454
190: ok 15455
190: ok 15456
190: ok 15457
190: ok 15458
190: ok 15459
190: ok 15460
190: ok 15461
190: ok 15462
190: ok 15463
190: ok 15464
190: ok 15465
190: ok 15466
190: ok 15467
190: ok 15468
190: ok 15469
190: ok 15470
190: ok 15471
190: ok 15472
190: ok 15473
190: ok 15474
190: ok 15475
190: ok 15476
190: ok 15477
190: ok 15478
190: ok 15479
190: ok 15480
190: ok 15481
190: ok 15482
190: ok 15483
190: ok 15484
190: ok 15485
190: ok 15486
190: ok 15487
190: ok 15488
190: ok 15489
190: ok 15490
190: ok 15491
190: ok 15492
190: ok 15493
190: ok 15494
190: ok 15495
190: ok 15496
190: ok 15497
190: ok 15498
190: ok 15499
190: ok 15500
190: ok 15501
190: ok 15502
190: ok 15503
190: ok 15504
190: ok 15505
190: ok 15506
190: ok 15507
190: ok 15508
190: ok 15509
190: ok 15510
190: ok 15511
190: ok 15512
190: ok 15513
190: ok 15514
190: ok 15515
190: ok 15516
190: ok 15517
190: ok 15518
190: ok 15519
190: ok 15520
190: ok 15521
190: ok 15522
190: ok 15523
190: ok 15524
190: ok 15525
190: ok 15526
190: ok 15527
190: ok 15528
190: ok 15529
190: ok 15530
190: ok 15531
190: ok 15532
190: ok 15533
190: ok 15534
190: ok 15535
190: ok 15536
190: ok 15537
190: ok 15538
190: ok 15539
190: ok 15540
190: ok 15541
190: ok 15542
190: ok 15543
190: ok 15544
190: ok 15545
190: ok 15546
190: ok 15547
190: ok 15548
190: ok 15549
190: ok 15550
190: ok 15551
190: ok 15552
190: ok 15553
190: ok 15554
190: ok 15555
190: ok 15556
190: ok 15557
190: ok 15558
190: ok 15559
190: ok 15560
190: ok 15561
190: ok 15562
190: ok 15563
190: ok 15564
190: ok 15565
190: ok 15566
190: ok 15567
190: ok 15568
190: ok 15569
190: ok 15570
190: ok 15571
190: ok 15572
190: ok 15573
190: ok 15574
190: ok 15575
190: ok 15576
190: ok 15577
190: ok 15578
190: ok 15579
190: ok 15580
190: ok 15581
190: ok 15582
190: ok 15583
190: ok 15584
190: ok 15585
190: ok 15586
190: ok 15587
190: ok 15588
190: ok 15589
190: ok 15590
190: ok 15591
190: ok 15592
190: ok 15593
190: ok 15594
190: ok 15595
190: ok 15596
190: ok 15597
190: ok 15598
190: ok 15599
190: ok 15600
190: ok 15601
190: ok 15602
190: ok 15603
190: ok 15604
190: ok 15605
190: ok 15606
190: ok 15607
190: ok 15608
190: ok 15609
190: ok 15610
190: ok 15611
190: ok 15612
190: ok 15613
190: ok 15614
190: ok 15615
190: ok 15616
190: ok 15617
190: ok 15618
190: ok 15619
190: ok 15620
190: ok 15621
190: ok 15622
190: ok 15623
190: ok 15624
190: ok 15625
190: ok 15626
190: ok 15627
190: ok 15628
190: ok 15629
190: ok 15630
190: ok 15631
190: ok 15632
190: ok 15633
190: ok 15634
190: ok 15635
190: ok 15636
190: ok 15637
190: ok 15638
190: ok 15639
190: ok 15640
190: ok 15641
190: ok 15642
190: ok 15643
190: ok 15644
190: ok 15645
190: ok 15646
190: ok 15647
190: ok 15648
190: ok 15649
190: ok 15650
190: ok 15651
190: ok 15652
190: ok 15653
190: ok 15654
190: ok 15655
190: ok 15656
190: ok 15657
190: ok 15658
190: ok 15659
190: ok 15660
190: ok 15661
190: ok 15662
190: ok 15663
190: ok 15664
190: ok 15665
190: ok 15666
190: ok 15667
190: ok 15668
190: ok 15669
190: ok 15670
190: ok 15671
190: ok 15672
190: ok 15673
190: ok 15674
190: ok 15675
190: ok 15676
190: ok 15677
190: ok 15678
190: ok 15679
190: ok 15680
190: ok 15681
190: ok 15682
190: ok 15683
190: ok 15684
190: ok 15685
190: ok 15686
190: ok 15687
190: ok 15688
190: ok 15689
190: ok 15690
190: ok 15691
190: ok 15692
190: ok 15693
190: ok 15694
190: ok 15695
190: ok 15696
190: ok 15697
190: ok 15698
190: ok 15699
190: ok 15700
190: ok 15701
190: ok 15702
190: ok 15703
190: ok 15704
190: ok 15705
190: ok 15706
190: ok 15707
190: ok 15708
190: ok 15709
190: ok 15710
190: ok 15711
190: ok 15712
190: ok 15713
190: ok 15714
190: ok 15715
190: ok 15716
190: ok 15717
190: ok 15718
190: ok 15719
190: ok 15720
190: ok 15721
190: ok 15722
190: ok 15723
190: ok 15724
190: ok 15725
190: ok 15726
190: ok 15727
190: ok 15728
190: ok 15729
190: ok 15730
190: ok 15731
190: ok 15732
190: ok 15733
190: ok 15734
190: ok 15735
190: ok 15736
190: ok 15737
190: ok 15738
190: ok 15739
190: ok 15740
190: ok 15741
190: ok 15742
190: ok 15743
190: ok 15744
190: ok 15745
190: ok 15746
190: ok 15747
190: ok 15748
190: ok 15749
190: ok 15750
190: ok 15751
190: ok 15752
190: ok 15753
190: ok 15754
190: ok 15755
190: ok 15756
190: ok 15757
190: ok 15758
190: ok 15759
190: ok 15760
190: ok 15761
190: ok 15762
190: ok 15763
190: ok 15764
190: ok 15765
190: ok 15766
190: ok 15767
190: ok 15768
190: ok 15769
190: ok 15770
190: ok 15771
190: ok 15772
190: ok 15773
190: ok 15774
190: ok 15775
190: ok 15776
190: ok 15777
190: ok 15778
190: ok 15779
190: ok 15780
190: ok 15781
190: ok 15782
190: ok 15783
190: ok 15784
190: ok 15785
190: ok 15786
190: ok 15787
190: ok 15788
190: ok 15789
190: ok 15790
190: ok 15791
190: ok 15792
190: ok 15793
190: ok 15794
190: ok 15795
190: ok 15796
190: ok 15797
190: ok 15798
190: ok 15799
190: ok 15800
190: ok 15801
190: ok 15802
190: ok 15803
190: ok 15804
190: ok 15805
190: ok 15806
190: ok 15807
190: ok 15808
190: ok 15809
190: ok 15810
190: ok 15811
190: ok 15812
190: ok 15813
190: ok 15814
190: ok 15815
190: ok 15816
190: ok 15817
190: ok 15818
190: ok 15819
190: ok 15820
190: ok 15821
190: ok 15822
190: ok 15823
190: ok 15824
190: ok 15825
190: ok 15826
190: ok 15827
190: ok 15828
190: ok 15829
190: ok 15830
190: ok 15831
190: ok 15832
190: ok 15833
190: ok 15834
190: ok 15835
190: ok 15836
190: ok 15837
190: ok 15838
190: ok 15839
190: ok 15840
190: ok 15841
190: ok 15842
190: ok 15843
190: ok 15844
190: ok 15845
190: ok 15846
190: ok 15847
190: ok 15848
190: ok 15849
190: ok 15850
190: ok 15851
190: ok 15852
190: ok 15853
190: ok 15854
190: ok 15855
190: ok 15856
190: ok 15857
190: ok 15858
190: ok 15859
190: ok 15860
190: ok 15861
190: ok 15862
190: ok 15863
190: ok 15864
190: ok 15865
190: ok 15866
190: ok 15867
190: ok 15868
190: ok 15869
190: ok 15870
190: ok 15871
190: ok 15872
190: ok 15873
190: ok 15874
190: ok 15875
190: ok 15876
190: ok 15877
190: ok 15878
190: ok 15879
190: ok 15880
190: ok 15881
190: ok 15882
190: ok 15883
190: ok 15884
190: ok 15885
190: ok 15886
190: ok 15887
190: ok 15888
190: ok 15889
190: ok 15890
190: ok 15891
190: ok 15892
190: ok 15893
190: ok 15894
190: ok 15895
190: ok 15896
190: ok 15897
190: ok 15898
190: ok 15899
190: ok 15900
190: ok 15901
190: ok 15902
190: ok 15903
190: ok 15904
190: ok 15905
190: ok 15906
190: ok 15907
190: ok 15908
190: ok 15909
190: ok 15910
189: # Unit tests for OBLogP and OBPSA 
189: 1..7
189: ok 1
189: ok 2 # 1.4008
189: ok 3 # 29.46
189: ok 4 # 2.5815
189: ok 5 # 0
189: ok 6 # 2.0264
189: ok 7 # 29.1
189/223 Test #189: test_logp_psa_1 ..................   Passed    0.48 sec
test 191
        Start 191: test_math_2

191: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "math" "2"
191: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
191: Environment variables: 
191:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
191:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
191: Test timeout computed to be: 1500
190: ok 15911
190: ok 15912
190: ok 15913
190: ok 15914
190: ok 15915
190: ok 15916
190: ok 15917
190: ok 15918
190: ok 15919
190: ok 15920
190: ok 15921
190: ok 15922
190: ok 15923
190: ok 15924
190: ok 15925
190: ok 15926
190: ok 15927
190: ok 15928
190: ok 15929
190: ok 15930
190: ok 15931
190: ok 15932
190: ok 15933
190: ok 15934
190: ok 15935
190: ok 15936
190: ok 15937
190: ok 15938
190: ok 15939
190: ok 15940
190: ok 15941
190: ok 15942
190: ok 15943
190: ok 15944
190: ok 15945
190: ok 15946
190: ok 15947
190: ok 15948
190: ok 15949
190: ok 15950
190: ok 15951
190: ok 15952
190: ok 15953
190: ok 15954
190: ok 15955
190: ok 15956
190: ok 15957
190: ok 15958
190: ok 15959
190: ok 15960
190: ok 15961
190: ok 15962
190: ok 15963
190: ok 15964
190: ok 15965
190: ok 15966
190: ok 15967
190: ok 15968
190: ok 15969
190: ok 15970
190: ok 15971
190: ok 15972
190: ok 15973
190: ok 15974
190: ok 15975
190: ok 15976
190: ok 15977
190: ok 15978
190: ok 15979
190: ok 15980
190: ok 15981
190: ok 15982
190: ok 15983
190: ok 15984
190: ok 15985
190: ok 15986
190: ok 15987
190: ok 15988
190: ok 15989
190: ok 15990
190: ok 15991
190: ok 15992
190: ok 15993
190: ok 15994
190: ok 15995
190: ok 15996
190: ok 15997
190: ok 15998
190: ok 15999
190: ok 16000
190: ok 16001
190: ok 16002
190: ok 16003
190: ok 16004
190: ok 16005
190: ok 16006
190: ok 16007
190: ok 16008
190: ok 16009
190: ok 16010
190: ok 16011
190: ok 16012
190: ok 16013
190: ok 16014
190: ok 16015
190: ok 16016
190: ok 16017
190: ok 16018
190: ok 16019
190: ok 16020
190: ok 16021
190: ok 16022
190: ok 16023
190: ok 16024
190: ok 16025
190: ok 16026
190: ok 16027
190: ok 16028
190: ok 16029
190: ok 16030
190: ok 16031
190: ok 16032
190: ok 16033
190: ok 16034
190: ok 16035
190: ok 16036
190: ok 16037
190: ok 16038
190: ok 16039
190: ok 16040
190: ok 16041
190: ok 16042
190: ok 16043
190: ok 16044
190: ok 16045
190: ok 16046
190: ok 16047
190: ok 16048
190: ok 16049
190: ok 16050
190: ok 16051
190: ok 16052
190: ok 16053
190: ok 16054
190: ok 16055
190: ok 16056
190: ok 16057
190: ok 16058
190: ok 16059
190: ok 16060
190: ok 16061
190: ok 16062
190: ok 16063
190: ok 16064
190: ok 16065
190: ok 16066
190: ok 16067
190: ok 16068
190: ok 16069
190: ok 16070
190: ok 16071
190: ok 16072
190: ok 16073
190: ok 16074
190: ok 16075
190: ok 16076
190: ok 16077
190: ok 16078
190: ok 16079
190: ok 16080
190: ok 16081
190: ok 16082
190: ok 16083
190: ok 16084
190: ok 16085
190: ok 16086
190: ok 16087
190: ok 16088
190: ok 16089
190: ok 16090
190: ok 16091
190: ok 16092
190: ok 16093
190: ok 16094
190: ok 16095
190: ok 16096
190: ok 16097
190: ok 16098
190: ok 16099
190: ok 16100
190: ok 16101
190: ok 16102
190: ok 16103
190: ok 16104
190: ok 16105
190: ok 16106
190: ok 16107
190: ok 16108
190: ok 16109
190: ok 16110
190: ok 16111
190: ok 16112
190: ok 16113
190: ok 16114
190: ok 16115
190: ok 16116
190: ok 16117
190: ok 16118
190: ok 16119
190: ok 16120
190: ok 16121
190: ok 16122
190: ok 16123
190: ok 16124
190: ok 16125
190: ok 16126
190: ok 16127
190: ok 16128
190: ok 16129
190: ok 16130
190: ok 16131
190: ok 16132
190: ok 16133
190: ok 16134
190: ok 16135
190: ok 16136
190: ok 16137
190: ok 16138
190: ok 16139
190: ok 16140
190: ok 16141
190: ok 16142
190: ok 16143
190: ok 16144
190: ok 16145
190: ok 16146
190: ok 16147
190: ok 16148
190: ok 16149
190: ok 16150
190: ok 16151
190: ok 16152
190: ok 16153
190: ok 16154
190: ok 16155
190: ok 16156
190: ok 16157
190: ok 16158
190: ok 16159
190: ok 16160
190: ok 16161
190: ok 16162
190: ok 16163
190: ok 16164
190: ok 16165
190: ok 16166
190: ok 16167
190: ok 16168
190: ok 16169
190: ok 16170
190: ok 16171
190: ok 16172
190: ok 16173
190: ok 16174
190: ok 16175
190: ok 16176
190: ok 16177
190: ok 16178
190: ok 16179
190: ok 16180
190: ok 16181
190: ok 16182
190: ok 16183
190: ok 16184
190: ok 16185
190: ok 16186
190: ok 16187
190: ok 16188
190: ok 16189
190: ok 16190
190: ok 16191
190: ok 16192
190: ok 16193
190: ok 16194
190: ok 16195
190: ok 16196
190: ok 16197
190: ok 16198
190: ok 16199
190: ok 16200
190: ok 16201
190: ok 16202
190: ok 16203
190: ok 16204
190: ok 16205
190: ok 16206
190: ok 16207
190: ok 16208
190: ok 16209
190: ok 16210
190: ok 16211
190: ok 16212
190: ok 16213
190: ok 16214
190: ok 16215
190: ok 16216
190: ok 16217
190: ok 16218
190: ok 16219
190: ok 16220
190: ok 16221
190: ok 16222
190: ok 16223
190: ok 16224
190: ok 16225
190: ok 16226
190: ok 16227
190: ok 16228
190: ok 16229
190: ok 16230
190: ok 16231
190: ok 16232
190: ok 16233
190: ok 16234
190: ok 16235
190: ok 16236
190: ok 16237
190: ok 16238
190: ok 16239
190: ok 16240
190: ok 16241
190: ok 16242
190: ok 16243
190: ok 16244
190: ok 16245
190: ok 16246
190: ok 16247
190: ok 16248
190: ok 16249
190: ok 16250
190: ok 16251
190: ok 16252
190: ok 16253
190: ok 16254
190: ok 16255
190: ok 16256
190: ok 16257
190: ok 16258
190: ok 16259
190: ok 16260
190: ok 16261
190: ok 16262
190: ok 16263
190: ok 16264
190: ok 16265
190: ok 16266
190: ok 16267
190: ok 16268
190: ok 16269
190: ok 16270
190: ok 16271
190: ok 16272
190: ok 16273
190: ok 16274
190: ok 16275
190: ok 16276
190: ok 16277
190: ok 16278
190: ok 16279
190: ok 16280
190: ok 16281
190: ok 16282
190: ok 16283
190: ok 16284
190: ok 16285
190: ok 16286
190: ok 16287
190: ok 16288
190: ok 16289
190: ok 16290
190: ok 16291
190: ok 16292
190: ok 16293
190: ok 16294
190: ok 16295
190: ok 16296
190: ok 16297
190: ok 16298
190: ok 16299
190: ok 16300
190: ok 16301
190: ok 16302
190: ok 16303
190: ok 16304
190: ok 16305
190: ok 16306
190: ok 16307
190: ok 16308
190: ok 16309
190: ok 16310
190: ok 16311
190: ok 16312
190: ok 16313
190: ok 16314
190: ok 16315
190: ok 16316
190: ok 16317
190: ok 16318
190: ok 16319
190: ok 16320
190: ok 16321
190: ok 16322
190: ok 16323
190: ok 16324
190: ok 16325
190: ok 16326
190: ok 16327
190: ok 16328
190: ok 16329
190: ok 16330
190: ok 16331
190: ok 16332
190: ok 16333
190: ok 16334
190: ok 16335
190: ok 16336
190: ok 16337
190: ok 16338
190: ok 16339
190: ok 16340
190: ok 16341
190: ok 16342
190: ok 16343
190: ok 16344
190: ok 16345
190: ok 16346
190: ok 16347
190: ok 16348
190: ok 16349
190: ok 16350
190: ok 16351
190: ok 16352
190: ok 16353
190: ok 16354
190: ok 16355
190: ok 16356
190: ok 16357
190: ok 16358
190: ok 16359
190: ok 16360
190: ok 16361
190: ok 16362
190: ok 16363
190: ok 16364
190: ok 16365
190: ok 16366
190: ok 16367
190: ok 16368
190: ok 16369
190: ok 16370
190: ok 16371
190: ok 16372
190: ok 16373
190: ok 16374
190: ok 16375
190: ok 16376
190: ok 16377
190: ok 16378
190: ok 16379
190: ok 16380
190: ok 16381
190: ok 16382
190: ok 16383
190: ok 16384
190: ok 16385
190: ok 16386
190: ok 16387
190: ok 16388
190: ok 16389
190: ok 16390
190: ok 16391
190: ok 16392
190: ok 16393
190: ok 16394
190: ok 16395
190: ok 16396
190: ok 16397
190: ok 16398
190: ok 16399
190: ok 16400
190: ok 16401
190: ok 16402
190: ok 16403
190: ok 16404
190: ok 16405
190: ok 16406
190: ok 16407
190: ok 16408
190: ok 16409
190: ok 16410
190: ok 16411
190: ok 16412
190: ok 16413
190: ok 16414
190: ok 16415
190: ok 16416
190: ok 16417
190: ok 16418
190: ok 16419
190: ok 16420
190: ok 16421
190: ok 16422
190: ok 16423
190: ok 16424
190: ok 16425
190: ok 16426
190: ok 16427
190: ok 16428
190: ok 16429
190: ok 16430
190: ok 16431
190: ok 16432
190: ok 16433
190: ok 16434
190: ok 16435
190: ok 16436
190: ok 16437
190: ok 16438
190: ok 16439
190: ok 16440
190: ok 16441
190: ok 16442
190: ok 16443
190: ok 16444
190: ok 16445
190: ok 16446
190: ok 16447
190: ok 16448
190: ok 16449
190: ok 16450
190: ok 16451
190: ok 16452
190: ok 16453
190: ok 16454
190: ok 16455
190: ok 16456
190: ok 16457
190: ok 16458
190: ok 16459
190: ok 16460
190: ok 16461
190: ok 16462
190: ok 16463
190: ok 16464
190: ok 16465
190: ok 16466
190: ok 16467
190: ok 16468
190: ok 16469
190: ok 16470
190: ok 16471
190: ok 16472
190: ok 16473
190: ok 16474
190: ok 16475
190: ok 16476
190: ok 16477
190: ok 16478
190: ok 16479
190: ok 16480
190: ok 16481
190: ok 16482
190: ok 16483
190: ok 16484
190: ok 16485
190: ok 16486
190: ok 16487
190: ok 16488
190: ok 16489
190: ok 16490
190: ok 16491
190: ok 16492
190: ok 16493
190: ok 16494
190: ok 16495
190: ok 16496
190: ok 16497
190: ok 16498
190: ok 16499
190: ok 16500
190: ok 16501
190: ok 16502
190: ok 16503
190: ok 16504
190: ok 16505
190: ok 16506
190: ok 16507
190: ok 16508
190: ok 16509
190: ok 16510
190: ok 16511
190: ok 16512
190: ok 16513
190: ok 16514
190: ok 16515
190: ok 16516
190: ok 16517
190: ok 16518
190: ok 16519
190: ok 16520
190: ok 16521
190: ok 16522
190: ok 16523
190: ok 16524
190: ok 16525
190: ok 16526
190: ok 16527
190: ok 16528
190: ok 16529
190: ok 16530
190: ok 16531
190: ok 16532
190: ok 16533
190: ok 16534
190: ok 16535
190: ok 16536
190: ok 16537
190: ok 16538
190: ok 16539
190: ok 16540
190: ok 16541
190: ok 16542
190: ok 16543
190: ok 16544
190: ok 16545
190: ok 16546
190: ok 16547
190: ok 16548
190: ok 16549
190: ok 16550
190: ok 16551
190: ok 16552
190: ok 16553
190: ok 16554
190: ok 16555
190: ok 16556
190: ok 16557
190: ok 16558
190: ok 16559
190: ok 16560
190: ok 16561
190: ok 16562
190: ok 16563
190: ok 16564
190: ok 16565
190: ok 16566
190: ok 16567
190: ok 16568
190: ok 16569
190: ok 16570
190: ok 16571
190: ok 16572
190: ok 16573
190: ok 16574
190: ok 16575
190: ok 16576
190: ok 16577
190: ok 16578
190: ok 16579
190: ok 16580
190: ok 16581
190: ok 16582
190: ok 16583
190: ok 16584
190: ok 16585
190: ok 16586
190: ok 16587
190: ok 16588
190: ok 16589
190: ok 16590
190: ok 16591
190: ok 16592
190: ok 16593
190: ok 16594
190: ok 16595
190: ok 16596
190: ok 16597
190: ok 16598
190: ok 16599
190: ok 16600
190: ok 16601
190: ok 16602
190: ok 16603
190: ok 16604
190: ok 16605
190: ok 16606
190: ok 16607
190: ok 16608
190: ok 16609
190: ok 16610
190: ok 16611
190: ok 16612
190: ok 16613
190: ok 16614
190: ok 16615
190: ok 16616
190: ok 16617
190: ok 16618
190: ok 16619
190: ok 16620
190: ok 16621
190: ok 16622
190: ok 16623
190: ok 16624
190: ok 16625
190: ok 16626
190: ok 16627
190: ok 16628
190: ok 16629
190: ok 16630
190: ok 16631
190: ok 16632
190: ok 16633
190: ok 16634
190: ok 16635
190: ok 16636
190: ok 16637
190: ok 16638
190: ok 16639
190: ok 16640
190: ok 16641
190: ok 16642
190: ok 16643
190: ok 16644
190: ok 16645
190: ok 16646
190: ok 16647
190: ok 16648
190: ok 16649
190: ok 16650
190: ok 16651
190: ok 16652
190: ok 16653
190: ok 16654
190: ok 16655
190: ok 16656
190: ok 16657
190: ok 16658
190: ok 16659
190: ok 16660
190: ok 16661
190: ok 16662
190: ok 16663
190: ok 16664
190: ok 16665
190: ok 16666
190: ok 16667
190: ok 16668
190: ok 16669
190: ok 16670
190: ok 16671
190: ok 16672
190: ok 16673
190: ok 16674
190: ok 16675
190: ok 16676
190: ok 16677
190: ok 16678
190: ok 16679
190: ok 16680
190: ok 16681
190: ok 16682
190: ok 16683
190: ok 16684
190: ok 16685
190: ok 16686
190: ok 16687
190: ok 16688
190: ok 16689
190: ok 16690
190: ok 16691
190: ok 16692
190: ok 16693
190: ok 16694
190: ok 16695
190: ok 16696
190: ok 16697
190: ok 16698
190: ok 16699
190: ok 16700
190: ok 16701
190: ok 16702
190: ok 16703
190: ok 16704
190: ok 16705
190: ok 16706
190: ok 16707
190: ok 16708
190: ok 16709
190: ok 16710
190: ok 16711
190: ok 16712
190: ok 16713
190: ok 16714
190: ok 16715
190: ok 16716
190: ok 16717
190: ok 16718
190: ok 16719
190: ok 16720
190: ok 16721
190: ok 16722
190: ok 16723
190: ok 16724
190: ok 16725
190: ok 16726
190: ok 16727
190: ok 16728
190: ok 16729
190: ok 16730
190: ok 16731
190: ok 16732
190: ok 16733
190: ok 16734
190: ok 16735
190: ok 16736
190: ok 16737
190: ok 16738
190: ok 16739
190: ok 16740
190: ok 16741
190: ok 16742
190: ok 16743
190: ok 16744
190: ok 16745
190: ok 16746
190: ok 16747
190: ok 16748
190: ok 16749
190: ok 16750
190: ok 16751
190: ok 16752
190: ok 16753
190: ok 16754
190: ok 16755
190: ok 16756
190: ok 16757
190: ok 16758
190: ok 16759
190: ok 16760
190: ok 16761
190: ok 16762
190: ok 16763
190: ok 16764
190: ok 16765
190: ok 16766
190: ok 16767
190: ok 16768
190: ok 16769
190: ok 16770
190: ok 16771
190: ok 16772
190: ok 16773
190: ok 16774
190: ok 16775
190: ok 16776
190: ok 16777
190: ok 16778
190: ok 16779
190: ok 16780
190: ok 16781
190: ok 16782
190: ok 16783
190: ok 16784
190: ok 16785
190: ok 16786
190: ok 16787
190: ok 16788
190: ok 16789
190: ok 16790
190: ok 16791
190: ok 16792
190: ok 16793
190: ok 16794
190: ok 16795
190: ok 16796
190: ok 16797
190: ok 16798
190: ok 16799
190: ok 16800
190: ok 16801
190: ok 16802
190: ok 16803
190: ok 16804
190: ok 16805
190: ok 16806
190: ok 16807
190: ok 16808
190: ok 16809
190: ok 16810
190: ok 16811
190: ok 16812
190: ok 16813
190: ok 16814
190: ok 16815
190: ok 16816
190: ok 16817
190: ok 16818
190: ok 16819
190: ok 16820
190: ok 16821
190: ok 16822
190: ok 16823
190: ok 16824
190: ok 16825
190: ok 16826
190: ok 16827
190: ok 16828
190: ok 16829
190: ok 16830
190: ok 16831
190: ok 16832
190: ok 16833
190: ok 16834
190: ok 16835
190: ok 16836
190: ok 16837
190: ok 16838
190: ok 16839
190: ok 16840
190: ok 16841
190: ok 16842
190: ok 16843
190: ok 16844
190: ok 16845
190: ok 16846
190: ok 16847
190: ok 16848
190: ok 16849
190: ok 16850
190: ok 16851
190: ok 16852
190: ok 16853
190: ok 16854
190: ok 16855
190: ok 16856
190: ok 16857
190: ok 16858
190: ok 16859
190: ok 16860
190: ok 16861
190: ok 16862
190: ok 16863
190: ok 16864
190: ok 16865
190: ok 16866
190: ok 16867
190: ok 16868
190: ok 16869
190: ok 16870
190: ok 16871
190: ok 16872
190: ok 16873
190: ok 16874
190: ok 16875
190: ok 16876
190: ok 16877
190: ok 16878
190: ok 16879
190: ok 16880
190: ok 16881
190: ok 16882
190: ok 16883
190: ok 16884
190: ok 16885
190: ok 16886
190: ok 16887
190: ok 16888
190: ok 16889
190: ok 16890
190: ok 16891
190: ok 16892
190: ok 16893
190: ok 16894
190: ok 16895
190: ok 16896
190: ok 16897
190: ok 16898
190: ok 16899
190: ok 16900
190: ok 16901
190: ok 16902
190: ok 16903
190: ok 16904
190: ok 16905
190: ok 16906
190: ok 16907
190: ok 16908
190: ok 16909
190: ok 16910
190: ok 16911
190: ok 16912
190: ok 16913
190: ok 16914
190: ok 16915
190: ok 16916
190: ok 16917
190: ok 16918
190: ok 16919
190: ok 16920
190: ok 16921
190: ok 16922
190: ok 16923
190: ok 16924
190: ok 16925
190: ok 16926
190: ok 16927
190: ok 16928
190: ok 16929
190: ok 16930
190: ok 16931
190: ok 16932
190: ok 16933
190: ok 16934
190: ok 16935
190: ok 16936
190: ok 16937
190: ok 16938
190: ok 16939
190: ok 16940
190: ok 16941
190: ok 16942
190: ok 16943
190: ok 16944
190: ok 16945
190: ok 16946
190: ok 16947
190: ok 16948
190: ok 16949
190: ok 16950
190: ok 16951
190: ok 16952
190: ok 16953
190: ok 16954
190: ok 16955
190: ok 16956
190: ok 16957
190: ok 16958
190: ok 16959
190: ok 16960
190: ok 16961
190: ok 16962
190: ok 16963
190: ok 16964
190: ok 16965
190: ok 16966
190: ok 16967
190: ok 16968
190: ok 16969
190: ok 16970
190: ok 16971
190: ok 16972
190: ok 16973
190: ok 16974
190: ok 16975
190: ok 16976
190: ok 16977
190: ok 16978
190: ok 16979
190: ok 16980
190: ok 16981
190: ok 16982
190: ok 16983
190: ok 16984
190: ok 16985
190: ok 16986
190: ok 16987
190: ok 16988
190: ok 16989
190: ok 16990
190: ok 16991
190: ok 16992
190: ok 16993
190: ok 16994
190: ok 16995
190: ok 16996
190: ok 16997
190: ok 16998
190: ok 16999
190: ok 17000
190: ok 17001
190: ok 17002
190: ok 17003
190: ok 17004
190: ok 17005
190: ok 17006
190: ok 17007
190: ok 17008
190: ok 17009
190: ok 17010
190: ok 17011
190: ok 17012
190: ok 17013
190: ok 17014
190: ok 17015
190: ok 17016
190: ok 17017
190: ok 17018
190: ok 17019
190: ok 17020
190: ok 17021
190: ok 17022
190: ok 17023
190: ok 17024
190: ok 17025
190: ok 17026
190: ok 17027
190: ok 17028
190: ok 17029
190: ok 17030
190: ok 17031
190: ok 17032
190: ok 17033
190: ok 17034
190: ok 17035
190: ok 17036
190: ok 17037
190: ok 17038
190: ok 17039
190: ok 17040
190: ok 17041
190: ok 17042
190: ok 17043
190: ok 17044
190: ok 17045
190: ok 17046
190: ok 17047
190: ok 17048
190: ok 17049
190: ok 17050
190: ok 17051
190: ok 17052
190: ok 17053
190: ok 17054
190: ok 17055
190: ok 17056
190: ok 17057
190: ok 17058
190: ok 17059
190: ok 17060
190: ok 17061
190: ok 17062
190: ok 17063
190: ok 17064
190: ok 17065
190: ok 17066
190: ok 17067
190: ok 17068
190: ok 17069
190: ok 17070
190: ok 17071
190: ok 17072
190: ok 17073
190: ok 17074
190: ok 17075
190: ok 17076
190: ok 17077
190: ok 17078
190: ok 17079
190: ok 17080
190: ok 17081
190: ok 17082
190: ok 17083
190: ok 17084
190: ok 17085
190: ok 17086
190: ok 17087
190: ok 17088
190: ok 17089
190: ok 17090
190: ok 17091
190: ok 17092
190: ok 17093
190: ok 17094
190: ok 17095
190: ok 17096
190: ok 17097
190: ok 17098
190: ok 17099
190: ok 17100
190: ok 17101
190: ok 17102
190: ok 17103
190: ok 17104
190: ok 17105
190: ok 17106
190: ok 17107
190: ok 17108
190: ok 17109
190: ok 17110
190: ok 17111
190: ok 17112
190: ok 17113
190: ok 17114
190: ok 17115
190: ok 17116
190: ok 17117
190: ok 17118
190: ok 17119
190: ok 17120
190: ok 17121
190: ok 17122
190: ok 17123
190: ok 17124
190: ok 17125
190: ok 17126
190: ok 17127
190: ok 17128
190: ok 17129
190: ok 17130
190: ok 17131
190: ok 17132
190: ok 17133
190: ok 17134
190: ok 17135
190: ok 17136
190: ok 17137
190: ok 17138
190: ok 17139
190: ok 17140
190: ok 17141
190: ok 17142
190: ok 17143
190: ok 17144
190: ok 17145
190: ok 17146
190: ok 17147
190: ok 17148
190: ok 17149
190: ok 17150
190: ok 17151
190: ok 17152
190: ok 17153
190: ok 17154
190: ok 17155
190: ok 17156
190: ok 17157
190: ok 17158
190: ok 17159
190: ok 17160
190: ok 17161
190: ok 17162
190: ok 17163
190: ok 17164
190: ok 17165
190: ok 17166
190: ok 17167
190: ok 17168
190: ok 17169
190: ok 17170
190: ok 17171
190: ok 17172
190: ok 17173
190: ok 17174
190: ok 17175
190: ok 17176
190: ok 17177
190: ok 17178
190: ok 17179
190: ok 17180
190: ok 17181
190: ok 17182
190: ok 17183
190: ok 17184
190: ok 17185
190: ok 17186
190: ok 17187
190: ok 17188
190: ok 17189
190: ok 17190
190: ok 17191
190: ok 17192
190: ok 17193
190: ok 17194
190: ok 17195
190: ok 17196
190: ok 17197
190: ok 17198
190: ok 17199
190: ok 17200
190: ok 17201
190: ok 17202
190: ok 17203
190: ok 17204
190: ok 17205
190: ok 17206
190: ok 17207
190: ok 17208
190: ok 17209
190: ok 17210
190: ok 17211
190: ok 17212
190: ok 17213
190: ok 17214
190: ok 17215
190: ok 17216
190: ok 17217
190: ok 17218
190: ok 17219
190: ok 17220
190: ok 17221
190: ok 17222
190: ok 17223
190: ok 17224
190: ok 17225
190: ok 17226
190: ok 17227
190: ok 17228
190: ok 17229
190: ok 17230
190: ok 17231
190: ok 17232
190: ok 17233
190: ok 17234
190: ok 17235
190: ok 17236
190: ok 17237
190: ok 17238
190: ok 17239
190: ok 17240
190: ok 17241
190: ok 17242
190: ok 17243
190: ok 17244
190: ok 17245
190: ok 17246
190: ok 17247
190: ok 17248
190: ok 17249
190: ok 17250
190: ok 17251
190: ok 17252
190: ok 17253
190: ok 17254
190: ok 17255
190: ok 17256
190: ok 17257
190: ok 17258
190: ok 17259
190: ok 17260
190: ok 17261
190: ok 17262
190: ok 17263
190: ok 17264
190: ok 17265
190: ok 17266
190: ok 17267
190: ok 17268
190: ok 17269
190: ok 17270
190: ok 17271
190: ok 17272
190: ok 17273
190: ok 17274
190: ok 17275
190: ok 17276
190: ok 17277
190: ok 17278
190: ok 17279
190: ok 17280
190: ok 17281
190: ok 17282
190: ok 17283
190: ok 17284
190: ok 17285
190: ok 17286
190: ok 17287
190: ok 17288
190: ok 17289
190: ok 17290
190: ok 17291
190: ok 17292
190: ok 17293
190: ok 17294
190: ok 17295
190: ok 17296
190: ok 17297
190: ok 17298
190: ok 17299
190: ok 17300
190: ok 17301
190: ok 17302
190: ok 17303
190: ok 17304
190: ok 17305
190: ok 17306
190: ok 17307
190: ok 17308
190: ok 17309
190: ok 17310
190: ok 17311
190: ok 17312
190: ok 17313
190: ok 17314
190: ok 17315
190: ok 17316
190: ok 17317
190: ok 17318
190: ok 17319
190: ok 17320
190: ok 17321
190: ok 17322
190: ok 17323
190: ok 17324
190: ok 17325
190: ok 17326
190: ok 17327
190: ok 17328
190: ok 17329
190: ok 17330
190: ok 17331
190: ok 17332
190: ok 17333
190: ok 17334
190: ok 17335
190: ok 17336
190: ok 17337
190: ok 17338
190: ok 17339
190: ok 17340
190: ok 17341
190: ok 17342
190: ok 17343
190: ok 17344
190: ok 17345
190: ok 17346
190: ok 17347
190: ok 17348
190: ok 17349
190: ok 17350
190: ok 17351
190: ok 17352
190: ok 17353
190: ok 17354
190: ok 17355
190: ok 17356
190: ok 17357
190: ok 17358
190: ok 17359
190: ok 17360
190: ok 17361
190: ok 17362
190: ok 17363
190: ok 17364
190: ok 17365
190: ok 17366
190: ok 17367
190: ok 17368
190: ok 17369
190: ok 17370
190: ok 17371
190: ok 17372
190: ok 17373
190: ok 17374
190: ok 17375
190: ok 17376
190: ok 17377
190: ok 17378
190: ok 17379
190: ok 17380
190: ok 17381
190: ok 17382
190: ok 17383
190: ok 17384
190: ok 17385
190: ok 17386
190: ok 17387
190: ok 17388
190: ok 17389
190: ok 17390
190: ok 17391
190: ok 17392
190: ok 17393
190: ok 17394
190: ok 17395
190: ok 17396
190: ok 17397
190: ok 17398
190: ok 17399
190: ok 17400
190: ok 17401
190: ok 17402
190: ok 17403
190: ok 17404
190: ok 17405
190: ok 17406
190: ok 17407
190: ok 17408
190: ok 17409
190: ok 17410
190: ok 17411
190: ok 17412
190: ok 17413
190: ok 17414
190: ok 17415
190: ok 17416
190: ok 17417
190: ok 17418
190: ok 17419
190: ok 17420
190: ok 17421
190: ok 17422
190: ok 17423
190: ok 17424
190: ok 17425
190: ok 17426
190: ok 17427
190: ok 17428
190: ok 17429
190: ok 17430
190: ok 17431
190: ok 17432
190: ok 17433
190: ok 17434
190: ok 17435
190: ok 17436
190: ok 17437
190: ok 17438
190: ok 17439
190: ok 17440
190: ok 17441
190: ok 17442
190: ok 17443
190: ok 17444
190: ok 17445
190: ok 17446
190: ok 17447
190: ok 17448
190: ok 17449
190: ok 17450
190: ok 17451
190: ok 17452
190: ok 17453
190: ok 17454
190: ok 17455
190: ok 17456
190: ok 17457
190: ok 17458
190: ok 17459
190: ok 17460
190: ok 17461
190: ok 17462
190: ok 17463
190: ok 17464
190: ok 17465
190: ok 17466
190: ok 17467
190: ok 17468
190: ok 17469
190: ok 17470
190: ok 17471
190: ok 17472
190: ok 17473
190: ok 17474
190: ok 17475
190: ok 17476
190: ok 17477
190: ok 17478
190: ok 17479
190: ok 17480
190: ok 17481
190: ok 17482
190: ok 17483
190: ok 17484
190: ok 17485
190: ok 17486
190: ok 17487
190: ok 17488
190: ok 17489
190: ok 17490
190: ok 17491
190: ok 17492
190: ok 17493
190: ok 17494
190: ok 17495
190: ok 17496
190: ok 17497
190: ok 17498
190: ok 17499
190: ok 17500
190: ok 17501
190: ok 17502
190: ok 17503
190: ok 17504
190: ok 17505
190: ok 17506
190: ok 17507
190: ok 17508
190: ok 17509
190: ok 17510
190: ok 17511
190: ok 17512
190: ok 17513
190: ok 17514
190: ok 17515
190: ok 17516
190: ok 17517
190: ok 17518
190: ok 17519
190: ok 17520
190: ok 17521
190: ok 17522
190: ok 17523
190: ok 17524
190: ok 17525
190: ok 17526
190: ok 17527
190: ok 17528
190: ok 17529
190: ok 17530
190: ok 17531
190: ok 17532
190: ok 17533
190: ok 17534
190: ok 17535
190: ok 17536
190: ok 17537
190: ok 17538
190: ok 17539
190: ok 17540
190: ok 17541
190: ok 17542
190: ok 17543
190: ok 17544
190: ok 17545
190: ok 17546
190: ok 17547
190: ok 17548
190: ok 17549
190: ok 17550
190: ok 17551
190: ok 17552
190: ok 17553
190: ok 17554
190: ok 17555
190: ok 17556
190: ok 17557
190: ok 17558
190: ok 17559
190: ok 17560
190: ok 17561
190: ok 17562
190: ok 17563
190: ok 17564
190: ok 17565
190: ok 17566
190: ok 17567
190: ok 17568
190: ok 17569
190: ok 17570
190: ok 17571
190: ok 17572
190: ok 17573
190: ok 17574
190: ok 17575
190: ok 17576
190: ok 17577
190: ok 17578
190: ok 17579
190: ok 17580
190: ok 17581
190: ok 17582
190: ok 17583
190: ok 17584
190: ok 17585
190: ok 17586
190: ok 17587
190: ok 17588
190: ok 17589
190: ok 17590
190: ok 17591
190: ok 17592
190: ok 17593
190: ok 17594
190: ok 17595
190: ok 17596
190: ok 17597
190: ok 17598
190: ok 17599
190: ok 17600
190: ok 17601
190: ok 17602
190: ok 17603
190: ok 17604
190: ok 17605
190: ok 17606
190: ok 17607
190: ok 17608
190: ok 17609
190: ok 17610
190: ok 17611
190: ok 17612
190: ok 17613
190: ok 17614
190: ok 17615
190: ok 17616
190: ok 17617
190: ok 17618
190: ok 17619
190: ok 17620
190: ok 17621
190: ok 17622
190: ok 17623
190: ok 17624
190: ok 17625
190: ok 17626
190: ok 17627
190: ok 17628
190: ok 17629
190: ok 17630
190: ok 17631
190: ok 17632
190: ok 17633
190: ok 17634
190: ok 17635
190: ok 17636
190: ok 17637
190: ok 17638
190: ok 17639
190: ok 17640
190: ok 17641
190: ok 17642
190: ok 17643
190: ok 17644
190: ok 17645
190: ok 17646
190: ok 17647
190: ok 17648
190: ok 17649
190: ok 17650
190: ok 17651
190: ok 17652
190: ok 17653
190: ok 17654
190: ok 17655
190: ok 17656
190: ok 17657
190: ok 17658
190: ok 17659
190: ok 17660
190: ok 17661
190: ok 17662
190: ok 17663
190: ok 17664
190: ok 17665
190: ok 17666
190: ok 17667
190: ok 17668
190: ok 17669
190: ok 17670
190: ok 17671
190: ok 17672
190: ok 17673
190: ok 17674
190: ok 17675
190: ok 17676
190: ok 17677
190: ok 17678
190: ok 17679
190: ok 17680
190: ok 17681
190: ok 17682
190: ok 17683
190: ok 17684
190: ok 17685
190: ok 17686
190: ok 17687
190: ok 17688
190: ok 17689
190: ok 17690
190: ok 17691
190: ok 17692
190: ok 17693
190: ok 17694
190: ok 17695
190: ok 17696
190: ok 17697
190: ok 17698
190: ok 17699
190: ok 17700
190: ok 17701
190: ok 17702
190: ok 17703
190: ok 17704
190: ok 17705
190: ok 17706
190: ok 17707
190: ok 17708
190: ok 17709
190: ok 17710
190: ok 17711
190: ok 17712
190: ok 17713
190: ok 17714
190: ok 17715
190: ok 17716
190: ok 17717
190: ok 17718
190: ok 17719
190: ok 17720
190: ok 17721
190: ok 17722
190: ok 17723
190: ok 17724
190: ok 17725
190: ok 17726
190: ok 17727
190: ok 17728
190: ok 17729
190: ok 17730
190: ok 17731
190: ok 17732
190: ok 17733
190: ok 17734
190: ok 17735
190: ok 17736
190: ok 17737
190: ok 17738
190: ok 17739
190: ok 17740
190: ok 17741
190: ok 17742
190: ok 17743
190: ok 17744
190: ok 17745
190: ok 17746
190: ok 17747
190: ok 17748
190: ok 17749
190: ok 17750
190: ok 17751
190: ok 17752
190: ok 17753
190: ok 17754
190: ok 17755
190: ok 17756
190: ok 17757
190: ok 17758
190: ok 17759
190: ok 17760
190: ok 17761
190: ok 17762
190: ok 17763
190: ok 17764
190: ok 17765
190: ok 17766
190: ok 17767
190: ok 17768
190: ok 17769
190: ok 17770
190: ok 17771
190: ok 17772
190: ok 17773
190: ok 17774
190: ok 17775
190: ok 17776
190: ok 17777
190: ok 17778
190: ok 17779
190: ok 17780
190: ok 17781
190: ok 17782
190: ok 17783
190: ok 17784
190: ok 17785
190: ok 17786
190: ok 17787
190: ok 17788
190: ok 17789
190: ok 17790
190: ok 17791
190: ok 17792
190: ok 17793
190: ok 17794
190: ok 17795
190: ok 17796
190: ok 17797
190: ok 17798
190: ok 17799
190: ok 17800
190: ok 17801
190: ok 17802
190: ok 17803
190: ok 17804
190: ok 17805
190: ok 17806
190: ok 17807
190: ok 17808
190: ok 17809
190: ok 17810
190: ok 17811
190: ok 17812
190: ok 17813
190: ok 17814
190: ok 17815
190: ok 17816
190: ok 17817
190: ok 17818
190: ok 17819
190: ok 17820
190: ok 17821
190: ok 17822
190: ok 17823
190: ok 17824
190: ok 17825
190: ok 17826
190: ok 17827
190: ok 17828
190: ok 17829
190: ok 17830
190: ok 17831
190: ok 17832
190: ok 17833
190: ok 17834
190: ok 17835
190: ok 17836
190: ok 17837
190: ok 17838
190: ok 17839
190: ok 17840
190: ok 17841
190: ok 17842
190: ok 17843
190: ok 17844
190: ok 17845
190: ok 17846
190: ok 17847
190: ok 17848
190: ok 17849
190: ok 17850
190: ok 17851
190: ok 17852
190: ok 17853
190: ok 17854
190: ok 17855
190: ok 17856
190: ok 17857
190: ok 17858
190: ok 17859
190: ok 17860
190: ok 17861
190: ok 17862
190: ok 17863
190: ok 17864
190: ok 17865
190: ok 17866
190: ok 17867
190: ok 17868
190: ok 17869
190: ok 17870
190: ok 17871
190: ok 17872
190: ok 17873
190: ok 17874
190: ok 17875
190: ok 17876
190: ok 17877
190: ok 17878
190: ok 17879
190: ok 17880
190: ok 17881
190: ok 17882
190: ok 17883
190: ok 17884
190: ok 17885
190: ok 17886
190: ok 17887
190: ok 17888
190: ok 17889
190: ok 17890
190: ok 17891
190: ok 17892
190: ok 17893
190: ok 17894
190: ok 17895
190: ok 17896
190: ok 17897
190: ok 17898
190: ok 17899
190: ok 17900
190: ok 17901
190: ok 17902
190: ok 17903
190: ok 17904
190: ok 17905
190: ok 17906
190: ok 17907
190: ok 17908
190: ok 17909
190: ok 17910
190: ok 17911
190: ok 17912
190: ok 17913
190: ok 17914
190: ok 17915
190: ok 17916
190: ok 17917
190: ok 17918
190: ok 17919
190: ok 17920
190: ok 17921
190: ok 17922
190: ok 17923
190: ok 17924
190: ok 17925
190: ok 17926
190: ok 17927
190: ok 17928
190: ok 17929
190: ok 17930
190: ok 17931
190: ok 17932
190: ok 17933
190: ok 17934
190: ok 17935
190: ok 17936
190: ok 17937
190: ok 17938
190: ok 17939
190: ok 17940
190: ok 17941
190: ok 17942
190: ok 17943
190: ok 17944
190: ok 17945
190: ok 17946
190: ok 17947
190: ok 17948
190: ok 17949
190: ok 17950
190: ok 17951
190: ok 17952
190: ok 17953
190: ok 17954
190: ok 17955
190: ok 17956
190: ok 17957
190: ok 17958
190: ok 17959
190: ok 17960
190: ok 17961
190: ok 17962
190: ok 17963
190: ok 17964
190: ok 17965
190: ok 17966
190: ok 17967
190: ok 17968
190: ok 17969
190: ok 17970
190: ok 17971
190: ok 17972
190: ok 17973
190: ok 17974
190: ok 17975
190: ok 17976
190: ok 17977
190: ok 17978
190: ok 17979
190: ok 17980
190: ok 17981
190: ok 17982
190: ok 17983
190: ok 17984
190: ok 17985
190: ok 17986
190: ok 17987
190: ok 17988
190: ok 17989
190: ok 17990
190: ok 17991
190: ok 17992
190: ok 17993
190: ok 17994
190: ok 17995
190: ok 17996
190: ok 17997
190: ok 17998
190: ok 17999
190: ok 18000
190: ok 18001
190: ok 18002
190: ok 18003
190: ok 18004
190: ok 18005
190: ok 18006
190: ok 18007
190: ok 18008
190: ok 18009
190: ok 18010
190: ok 18011
190: ok 18012
190: ok 18013
190: ok 18014
190: ok 18015
190: ok 18016
190: ok 18017
190: ok 18018
190: ok 18019
190: ok 18020
190: ok 18021
190: ok 18022
190: ok 18023
190: ok 18024
190: ok 18025
190: ok 18026
190: ok 18027
190: ok 18028
190: ok 18029
190: ok 18030
190: ok 18031
190: ok 18032
190: ok 18033
190: ok 18034
190: ok 18035
190: ok 18036
190: ok 18037
190: ok 18038
190: ok 18039
190: ok 18040
190: ok 18041
190: ok 18042
190: ok 18043
190: ok 18044
190: ok 18045
190: ok 18046
190: ok 18047
190: ok 18048
190: ok 18049
190: ok 18050
190: ok 18051
190: ok 18052
190: ok 18053
190: ok 18054
190: ok 18055
190: ok 18056
190: ok 18057
190: ok 18058
190: ok 18059
190: ok 18060
190: ok 18061
190: ok 18062
190: ok 18063
190: ok 18064
190: ok 18065
190: ok 18066
190: ok 18067
190: ok 18068
190: ok 18069
190: ok 18070
190: ok 18071
190: ok 18072
190: ok 18073
190: ok 18074
190: ok 18075
190: ok 18076
190: ok 18077
190: ok 18078
190: ok 18079
190: ok 18080
190: ok 18081
190: ok 18082
190: ok 18083
190: ok 18084
190: ok 18085
190: ok 18086
190: ok 18087
190: ok 18088
190: ok 18089
190: ok 18090
190: ok 18091
190: ok 18092
190: ok 18093
190: ok 18094
190: ok 18095
190: ok 18096
190: ok 18097
190: ok 18098
190: ok 18099
190: ok 18100
190: ok 18101
190: ok 18102
190: ok 18103
190: ok 18104
190: ok 18105
190: ok 18106
190: ok 18107
190: ok 18108
190: ok 18109
190: ok 18110
190: ok 18111
190: ok 18112
190: ok 18113
190: ok 18114
190: ok 18115
190: ok 18116
190: ok 18117
190: ok 18118
190: ok 18119
190: ok 18120
190: ok 18121
190: ok 18122
190: ok 18123
190: ok 18124
190: ok 18125
190: ok 18126
190: ok 18127
190: ok 18128
190: ok 18129
190: ok 18130
190: ok 18131
190: ok 18132
190: ok 18133
190: ok 18134
190: ok 18135
190: ok 18136
190: ok 18137
190: ok 18138
190: ok 18139
190: ok 18140
190: ok 18141
190: ok 18142
190: ok 18143
190: ok 18144
190: ok 18145
190: ok 18146
190: ok 18147
190: ok 18148
190: ok 18149
190: ok 18150
190: ok 18151
190: ok 18152
190: ok 18153
190: ok 18154
190: ok 18155
190: ok 18156
190: ok 18157
190: ok 18158
190: ok 18159
190: ok 18160
190: ok 18161
190: ok 18162
190: ok 18163
190: ok 18164
190: ok 18165
190: ok 18166
190: ok 18167
190: ok 18168
190: ok 18169
190: ok 18170
190: ok 18171
190: ok 18172
190: ok 18173
190: ok 18174
190: ok 18175
190: ok 18176
190: ok 18177
190: ok 18178
190: ok 18179
190: ok 18180
190: ok 18181
190: ok 18182
190: ok 18183
190: ok 18184
190: ok 18185
190: ok 18186
190: ok 18187
190: ok 18188
190: ok 18189
190: ok 18190
190: ok 18191
190: ok 18192
190: ok 18193
190: ok 18194
190: ok 18195
190: ok 18196
190: ok 18197
190: ok 18198
190: ok 18199
190: ok 18200
190: ok 18201
190: ok 18202
190: ok 18203
190: ok 18204
190: ok 18205
190: ok 18206
190: ok 18207
190: ok 18208
190: ok 18209
190: ok 18210
190: ok 18211
190: ok 18212
190: ok 18213
190: ok 18214
190: ok 18215
190: ok 18216
190: ok 18217
190: ok 18218
190: ok 18219
190: ok 18220
190: ok 18221
190: ok 18222
190: ok 18223
190: ok 18224
190: ok 18225
190: ok 18226
190: ok 18227
190: ok 18228
190: ok 18229
190: ok 18230
190: ok 18231
190: ok 18232
190: ok 18233
190: ok 18234
190: ok 18235
190: ok 18236
190: ok 18237
190: ok 18238
190: ok 18239
190: ok 18240
190: ok 18241
190: ok 18242
190: ok 18243
190: ok 18244
190: ok 18245
190: ok 18246
190: ok 18247
190: ok 18248
190: ok 18249
190: ok 18250
190: ok 18251
190: ok 18252
190: ok 18253
190: ok 18254
190: ok 18255
190: ok 18256
190: ok 18257
190: ok 18258
190: ok 18259
190: ok 18260
190: ok 18261
190: ok 18262
190: ok 18263
190: ok 18264
190: ok 18265
190: ok 18266
190: ok 18267
190: ok 18268
190: ok 18269
190: ok 18270
190: ok 18271
190: ok 18272
190: ok 18273
190: ok 18274
190: ok 18275
190: ok 18276
190: ok 18277
190: ok 18278
190: ok 18279
190: ok 18280
190: ok 18281
190: ok 18282
190: ok 18283
190: ok 18284
190: ok 18285
190: ok 18286
190: ok 18287
190: ok 18288
190: ok 18289
190: ok 18290
190: ok 18291
190: ok 18292
190: ok 18293
190: ok 18294
190: ok 18295
190: ok 18296
190: ok 18297
190: ok 18298
190: ok 18299
190: ok 18300
190: ok 18301
190: ok 18302
190: ok 18303
190: ok 18304
190: ok 18305
190: ok 18306
190: ok 18307
190: ok 18308
190: ok 18309
190: ok 18310
190: ok 18311
190: ok 18312
190: ok 18313
190: ok 18314
190: ok 18315
190: ok 18316
190: ok 18317
190: ok 18318
190: ok 18319
190: ok 18320
190: ok 18321
190: ok 18322
190: ok 18323
190: ok 18324
190: ok 18325
190: ok 18326
190: ok 18327
190: ok 18328
190: ok 18329
190: ok 18330
190: ok 18331
190: ok 18332
190: ok 18333
190: ok 18334
190: ok 18335
190: ok 18336
190: ok 18337
190: ok 18338
190: ok 18339
190: ok 18340
190: ok 18341
190: ok 18342
190: ok 18343
190: ok 18344
190: ok 18345
190: ok 18346
190: ok 18347
190: ok 18348
190: ok 18349
190: ok 18350
190: ok 18351
190: ok 18352
190: ok 18353
190: ok 18354
190: ok 18355
190: ok 18356
190: ok 18357
190: ok 18358
190: ok 18359
190: ok 18360
190: ok 18361
190: ok 18362
190: ok 18363
190: ok 18364
190: ok 18365
190: ok 18366
190: ok 18367
190: ok 18368
190: ok 18369
190: ok 18370
190: ok 18371
190: ok 18372
190: ok 18373
190: ok 18374
190: ok 18375
190: ok 18376
190: ok 18377
190: ok 18378
190: ok 18379
190: ok 18380
190: ok 18381
190: ok 18382
190: ok 18383
190: ok 18384
190: ok 18385
190: ok 18386
190: ok 18387
190: ok 18388
190: ok 18389
190: ok 18390
190: ok 18391
190: ok 18392
190: ok 18393
190: ok 18394
190: ok 18395
190: ok 18396
190: ok 18397
190: ok 18398
190: ok 18399
190: ok 18400
190: ok 18401
190: ok 18402
190: ok 18403
190: ok 18404
190: ok 18405
190: ok 18406
190: ok 18407
190: ok 18408
190: ok 18409
190: ok 18410
190: ok 18411
190: ok 18412
190: ok 18413
190: ok 18414
190: ok 18415
190: ok 18416
190: ok 18417
190: ok 18418
190: ok 18419
190: ok 18420
190: ok 18421
190: ok 18422
190: ok 18423
190: ok 18424
190: ok 18425
190: ok 18426
190: ok 18427
190: ok 18428
190: ok 18429
190: ok 18430
190: ok 18431
190: ok 18432
190: ok 18433
190: ok 18434
190: ok 18435
190: ok 18436
190: ok 18437
190: ok 18438
190: ok 18439
190: ok 18440
190: ok 18441
190: ok 18442
190: ok 18443
190: ok 18444
190: ok 18445
190: ok 18446
190: ok 18447
190: ok 18448
190: ok 18449
190: ok 18450
190: ok 18451
190: ok 18452
190: ok 18453
190: ok 18454
190: ok 18455
190: ok 18456
190: ok 18457
190: ok 18458
190: ok 18459
190: ok 18460
190: ok 18461
190: ok 18462
190: ok 18463
190: ok 18464
190: ok 18465
190: ok 18466
190: ok 18467
190: ok 18468
190: ok 18469
190: ok 18470
190: ok 18471
190: ok 18472
190: ok 18473
190: ok 18474
190: ok 18475
190: ok 18476
190: ok 18477
190: ok 18478
190: ok 18479
190: ok 18480
190: ok 18481
190: ok 18482
190: ok 18483
190: ok 18484
190: ok 18485
190: ok 18486
190: ok 18487
190: ok 18488
190: ok 18489
190: ok 18490
190: ok 18491
190: ok 18492
190: ok 18493
190: ok 18494
190: ok 18495
190: ok 18496
190: ok 18497
190: ok 18498
190: ok 18499
190: ok 18500
190: ok 18501
190: ok 18502
190: ok 18503
190: ok 18504
190: ok 18505
190: ok 18506
190: ok 18507
190: ok 18508
190: ok 18509
190: ok 18510
190: ok 18511
190: ok 18512
190: ok 18513
190: ok 18514
190: ok 18515
190: ok 18516
190: ok 18517
190: ok 18518
190: ok 18519
190: ok 18520
190: ok 18521
190: ok 18522
190: ok 18523
190: ok 18524
190: ok 18525
190: ok 18526
190: ok 18527
190: ok 18528
190: ok 18529
190: ok 18530
190: ok 18531
190: ok 18532
190: ok 18533
190: ok 18534
190: ok 18535
190: ok 18536
190: ok 18537
190: ok 18538
190: ok 18539
190: ok 18540
190: ok 18541
190: ok 18542
190: ok 18543
190: ok 18544
190: ok 18545
190: ok 18546
190: ok 18547
190: ok 18548
190: ok 18549
190: ok 18550
190: ok 18551
190: ok 18552
190: ok 18553
190: ok 18554
190: ok 18555
190: ok 18556
190: ok 18557
190: ok 18558
190: ok 18559
190: ok 18560
190: ok 18561
190: ok 18562
190: ok 18563
190: ok 18564
190: ok 18565
190: ok 18566
190: ok 18567
190: ok 18568
190: ok 18569
190: ok 18570
190: ok 18571
190: ok 18572
190: ok 18573
190: ok 18574
190: ok 18575
190: ok 18576
190: ok 18577
190: ok 18578
190: ok 18579
190: ok 18580
190: ok 18581
190: ok 18582
190: ok 18583
190: ok 18584
190: ok 18585
190: ok 18586
190: ok 18587
190: ok 18588
190: ok 18589
190: ok 18590
190: ok 18591
190: ok 18592
190: ok 18593
190: ok 18594
190: ok 18595
190: ok 18596
190: ok 18597
190: ok 18598
190: ok 18599
190: ok 18600
190: ok 18601
190: ok 18602
190: ok 18603
190: ok 18604
190: ok 18605
190: ok 18606
190: ok 18607
190: ok 18608
190: ok 18609
190: ok 18610
190: ok 18611
190: ok 18612
190: ok 18613
190: ok 18614
190: ok 18615
190: ok 18616
190: ok 18617
190: ok 18618
190: ok 18619
190: ok 18620
190: ok 18621
190: ok 18622
190: ok 18623
190: ok 18624
190: ok 18625
190: ok 18626
190: ok 18627
190: ok 18628
190: ok 18629
190: ok 18630
190: ok 18631
190: ok 18632
190: ok 18633
190: ok 18634
190: ok 18635
190: ok 18636
190: ok 18637
190: ok 18638
190: ok 18639
190: ok 18640
190: ok 18641
190: ok 18642
190: ok 18643
190: ok 18644
190: ok 18645
190: ok 18646
190: ok 18647
190: ok 18648
190: ok 18649
190: ok 18650
190: ok 18651
190: ok 18652
190: ok 18653
190: ok 18654
190: ok 18655
190: ok 18656
190: ok 18657
190: ok 18658
190: ok 18659
190: ok 18660
190: ok 18661
190: ok 18662
190: ok 18663
190: ok 18664
190: ok 18665
190: ok 18666
190: ok 18667
190: ok 18668
190: ok 18669
190: ok 18670
190: ok 18671
190: ok 18672
190: ok 18673
190: ok 18674
190: ok 18675
190: ok 18676
190: ok 18677
190: ok 18678
190: ok 18679
190: ok 18680
190: ok 18681
190: ok 18682
190: ok 18683
190: ok 18684
190: ok 18685
190: ok 18686
190: ok 18687
190: ok 18688
190: ok 18689
190: ok 18690
190: ok 18691
190: ok 18692
190: ok 18693
190: ok 18694
190: ok 18695
190: ok 18696
190: ok 18697
190: ok 18698
190: ok 18699
190: ok 18700
190: ok 18701
190: ok 18702
190: ok 18703
190: ok 18704
190: ok 18705
190: ok 18706
190: ok 18707
190: ok 18708
190: ok 18709
190: ok 18710
190: ok 18711
190: ok 18712
190: ok 18713
190: ok 18714
190: ok 18715
190: ok 18716
190: ok 18717
190: ok 18718
190: ok 18719
190: ok 18720
190: ok 18721
190: ok 18722
190: ok 18723
190: ok 18724
190: ok 18725
190: ok 18726
190: ok 18727
190: ok 18728
190: ok 18729
190: ok 18730
190: ok 18731
190: ok 18732
190: ok 18733
190: ok 18734
190: ok 18735
190: ok 18736
190: ok 18737
190: ok 18738
190: ok 18739
190: ok 18740
190: ok 18741
190: ok 18742
190: ok 18743
190: ok 18744
190: ok 18745
190: ok 18746
190: ok 18747
190: ok 18748
190: ok 18749
190: ok 18750
190: ok 18751
190: ok 18752
190: ok 18753
190: ok 18754
190: ok 18755
190: ok 18756
190: ok 18757
190: ok 18758
190: ok 18759
190: ok 18760
190: ok 18761
190: ok 18762
190: ok 18763
190: ok 18764
190: ok 18765
190: ok 18766
190: ok 18767
190: ok 18768
190: ok 18769
190: ok 18770
190: ok 18771
190: ok 18772
190: ok 18773
190: ok 18774
190: ok 18775
190: ok 18776
190: ok 18777
190: ok 18778
190: ok 18779
190: ok 18780
190: ok 18781
190: ok 18782
190: ok 18783
190: ok 18784
190: ok 18785
190: ok 18786
190: ok 18787
190: ok 18788
190: ok 18789
190: ok 18790
190: ok 18791
190: ok 18792
190: ok 18793
190: ok 18794
190: ok 18795
190: ok 18796
190: ok 18797
190: ok 18798
190: ok 18799
190: ok 18800
190: ok 18801
190: ok 18802
190: ok 18803
190: ok 18804
190: ok 18805
190: ok 18806
190: ok 18807
190: ok 18808
190: ok 18809
190: ok 18810
190: ok 18811
190: ok 18812
190: ok 18813
190: ok 18814
190: ok 18815
190: ok 18816
190: ok 18817
190: ok 18818
190: ok 18819
190: ok 18820
190: ok 18821
190: ok 18822
190: ok 18823
190: ok 18824
190: ok 18825
190: ok 18826
190: ok 18827
190: ok 18828
190: ok 18829
190: ok 18830
190: ok 18831
190: ok 18832
190: ok 18833
190: ok 18834
190: ok 18835
190: ok 18836
190: ok 18837
190: ok 18838
190: ok 18839
190: ok 18840
190: ok 18841
190: ok 18842
190: ok 18843
190: ok 18844
190: ok 18845
190: ok 18846
190: ok 18847
190: ok 18848
190: ok 18849
190: ok 18850
190: ok 18851
190: ok 18852
190: ok 18853
190: ok 18854
190: ok 18855
190: ok 18856
190: ok 18857
190: ok 18858
190: ok 18859
190: ok 18860
190: ok 18861
190: ok 18862
190: ok 18863
190: ok 18864
190: ok 18865
190: ok 18866
190: ok 18867
190: ok 18868
190: ok 18869
190: ok 18870
190: ok 18871
190: ok 18872
190: ok 18873
190: ok 18874
190: ok 18875
190: ok 18876
190: ok 18877
190: ok 18878
190: ok 18879
190: ok 18880
190: ok 18881
190: ok 18882
190: ok 18883
190: ok 18884
190: ok 18885
190: ok 18886
190: ok 18887
190: ok 18888
190: ok 18889
190: ok 18890
190: ok 18891
190: ok 18892
190: ok 18893
190: ok 18894
190: ok 18895
190: ok 18896
190: ok 18897
190: ok 18898
190: ok 18899
190: ok 18900
190: ok 18901
190: ok 18902
190: ok 18903
190: ok 18904
190: ok 18905
190: ok 18906
190: ok 18907
190: ok 18908
190: ok 18909
190: ok 18910
190: ok 18911
190: ok 18912
190: ok 18913
190: ok 18914
190: ok 18915
190: ok 18916
190: ok 18917
190: ok 18918
190: ok 18919
190: ok 18920
190: ok 18921
190: ok 18922
190: ok 18923
190: ok 18924
190: ok 18925
190: ok 18926
190: ok 18927
190: ok 18928
190: ok 18929
190: ok 18930
190: ok 18931
190: ok 18932
190: ok 18933
190: ok 18934
190: ok 18935
190: ok 18936
190: ok 18937
190: ok 18938
190: ok 18939
190: ok 18940
190: ok 18941
190: ok 18942
190: ok 18943
190: ok 18944
190: ok 18945
190: ok 18946
190: ok 18947
190: ok 18948
190: ok 18949
190: ok 18950
190: ok 18951
190: ok 18952
190: ok 18953
190: ok 18954
190: ok 18955
190: ok 18956
190: ok 18957
190: ok 18958
190: ok 18959
190: ok 18960
190: ok 18961
190: ok 18962
190: ok 18963
190: ok 18964
190: ok 18965
190: ok 18966
190: ok 18967
190: ok 18968
190: ok 18969
190: ok 18970
190: ok 18971
190: ok 18972
190: ok 18973
190: ok 18974
190: ok 18975
190: ok 18976
190: ok 18977
190: ok 18978
190: ok 18979
190: ok 18980
190: ok 18981
190: ok 18982
190: ok 18983
190: ok 18984
190: ok 18985
190: ok 18986
190: ok 18987
190: ok 18988
190: ok 18989
190: ok 18990
190: ok 18991
190: ok 18992
190: ok 18993
190: ok 18994
190: ok 18995
190: ok 18996
190: ok 18997
190: ok 18998
190: ok 18999
190: ok 19000
190: ok 19001
190: ok 19002
190: ok 19003
190: ok 19004
190: ok 19005
190: ok 19006
190: ok 19007
190: ok 19008
190: ok 19009
190: ok 19010
190: ok 19011
190: ok 19012
190: ok 19013
190: ok 19014
190: ok 19015
190: ok 19016
190: ok 19017
190: ok 19018
190: ok 19019
190: ok 19020
190: ok 19021
190: ok 19022
190: ok 19023
190: ok 19024
190: ok 19025
190: ok 19026
190: ok 19027
190: ok 19028
190: ok 19029
190: ok 19030
190: ok 19031
190: ok 19032
190: ok 19033
190: ok 19034
190: ok 19035
190: ok 19036
190: ok 19037
190: ok 19038
190: ok 19039
190: ok 19040
190: ok 19041
190: ok 19042
190: ok 19043
190: ok 19044
190: ok 19045
190: ok 19046
190: ok 19047
190: ok 19048
190: ok 19049
190: ok 19050
190: ok 19051
190: ok 19052
190: ok 19053
190: ok 19054
190: ok 19055
190: ok 19056
190: ok 19057
190: ok 19058
190: ok 19059
190: ok 19060
190: ok 19061
190: ok 19062
190: ok 19063
190: ok 19064
190: ok 19065
190: ok 19066
190: ok 19067
190: ok 19068
190: ok 19069
190: ok 19070
190: ok 19071
190: ok 19072
190: ok 19073
190: ok 19074
190: ok 19075
190: ok 19076
190: ok 19077
190: ok 19078
190: ok 19079
190: ok 19080
190: ok 19081
190: ok 19082
190: ok 19083
190: ok 19084
190: ok 19085
190: ok 19086
190: ok 19087
190: ok 19088
190: ok 19089
190: ok 19090
190: ok 19091
190: ok 19092
190: ok 19093
190: ok 19094
190: ok 19095
190: ok 19096
190: ok 19097
190: ok 19098
190: ok 19099
190: ok 19100
190: ok 19101
190: ok 19102
190: ok 19103
190: ok 19104
190: ok 19105
190: ok 19106
190: ok 19107
190: ok 19108
190: ok 19109
190: ok 19110
190: ok 19111
190: ok 19112
190: ok 19113
190: ok 19114
190: ok 19115
190: ok 19116
190: ok 19117
190: ok 19118
190: ok 19119
190: ok 19120
190: ok 19121
190: ok 19122
190: ok 19123
190: ok 19124
190: ok 19125
190: ok 19126
190: ok 19127
190: ok 19128
190: ok 19129
190: ok 19130
190: ok 19131
190: ok 19132
190: ok 19133
190: ok 19134
190: ok 19135
190: ok 19136
190: ok 19137
190: ok 19138
190: ok 19139
190: ok 19140
190: ok 19141
190: ok 19142
190: ok 19143
190: ok 19144
190: ok 19145
190: ok 19146
190: ok 19147
190: ok 19148
190: ok 19149
190: ok 19150
190: ok 19151
190: ok 19152
190: ok 19153
190: ok 19154
190: ok 19155
190: ok 19156
190: ok 19157
190: ok 19158
190: ok 19159
190: ok 19160
190: ok 19161
190: ok 19162
190: ok 19163
190: ok 19164
190: ok 19165
190: ok 19166
190: ok 19167
190: ok 19168
190: ok 19169
190: ok 19170
190: ok 19171
190: ok 19172
190: ok 19173
190: ok 19174
190: ok 19175
190: ok 19176
190: ok 19177
190: ok 19178
190: ok 19179
190: ok 19180
190: ok 19181
190: ok 19182
190: ok 19183
190: ok 19184
190: ok 19185
190: ok 19186
190: ok 19187
190: ok 19188
190: ok 19189
190: ok 19190
190: ok 19191
190: ok 19192
190: ok 19193
190: ok 19194
190: ok 19195
190: ok 19196
190: ok 19197
190: ok 19198
190: ok 19199
190: ok 19200
190: ok 19201
190: ok 19202
190: ok 19203
190: ok 19204
190: ok 19205
190: ok 19206
190: ok 19207
190: ok 19208
190: ok 19209
190: ok 19210
190: ok 19211
190: ok 19212
190: ok 19213
190: ok 19214
190: ok 19215
190: ok 19216
190: ok 19217
190: ok 19218
190: ok 19219
190: ok 19220
190: ok 19221
190: ok 19222
190: ok 19223
190: ok 19224
190: ok 19225
190: ok 19226
190: ok 19227
190: ok 19228
190: ok 19229
190: ok 19230
190: ok 19231
190: ok 19232
190: ok 19233
190: ok 19234
190: ok 19235
190: ok 19236
190: ok 19237
190: ok 19238
190: ok 19239
190: ok 19240
190: ok 19241
190: ok 19242
190: ok 19243
190: ok 19244
190: ok 19245
190: ok 19246
190: ok 19247
190: ok 19248
190: ok 19249
190: ok 19250
190: ok 19251
190: ok 19252
190: ok 19253
190: ok 19254
190: ok 19255
190: ok 19256
190: ok 19257
190: ok 19258
190: ok 19259
190: ok 19260
190: ok 19261
190: ok 19262
190: ok 19263
190: ok 19264
190: ok 19265
190: ok 19266
190: ok 19267
190: ok 19268
190: ok 19269
190: ok 19270
190: ok 19271
190: ok 19272
190: ok 19273
190: ok 19274
190: ok 19275
190: ok 19276
190: ok 19277
190: ok 19278
190: ok 19279
190: ok 19280
190: ok 19281
190: ok 19282
190: ok 19283
190: ok 19284
190: ok 19285
190: ok 19286
190: ok 19287
190: ok 19288
190: ok 19289
190: ok 19290
190: ok 19291
190: ok 19292
190: ok 19293
190: ok 19294
190: ok 19295
190: ok 19296
190: ok 19297
190: ok 19298
190: ok 19299
190: ok 19300
190: ok 19301
190: ok 19302
190: ok 19303
190: ok 19304
190: ok 19305
190: ok 19306
190: ok 19307
190: ok 19308
190: ok 19309
190: ok 19310
190: ok 19311
190: ok 19312
190: ok 19313
190: ok 19314
190: ok 19315
190: ok 19316
190: ok 19317
190: ok 19318
190: ok 19319
190: ok 19320
190: ok 19321
190: ok 19322
190: ok 19323
190: ok 19324
190: ok 19325
190: ok 19326
190: ok 19327
190: ok 19328
190: ok 19329
190: ok 19330
190: ok 19331
190: ok 19332
190: ok 19333
190: ok 19334
190: ok 19335
190: ok 19336
190: ok 19337
190: ok 19338
190: ok 19339
190: ok 19340
190: ok 19341
190: ok 19342
190: ok 19343
190: ok 19344
190: ok 19345
190: ok 19346
190: ok 19347
190: ok 19348
190: ok 19349
190: ok 19350
190: ok 19351
190: ok 19352
190: ok 19353
190: ok 19354
190: ok 19355
190: ok 19356
190: ok 19357
190: ok 19358
190: ok 19359
190: ok 19360
190: ok 19361
190: ok 19362
190: ok 19363
190: ok 19364
190: ok 19365
190: ok 19366
190: ok 19367
190: ok 19368
190: ok 19369
190: ok 19370
190: ok 19371
190: ok 19372
190: ok 19373
190: ok 19374
190: ok 19375
190: ok 19376
190: ok 19377
190: ok 19378
190: ok 19379
190: ok 19380
190: ok 19381
190: ok 19382
190: ok 19383
190: ok 19384
190: ok 19385
190: ok 19386
190: ok 19387
190: ok 19388
190: ok 19389
190: ok 19390
190: ok 19391
190: ok 19392
190: ok 19393
190: ok 19394
190: ok 19395
190: ok 19396
190: ok 19397
190: ok 19398
190: ok 19399
190: ok 19400
190: ok 19401
190: ok 19402
190: ok 19403
190: ok 19404
190: ok 19405
190: ok 19406
190: ok 19407
190: ok 19408
190: ok 19409
190: ok 19410
190: ok 19411
190: ok 19412
190: ok 19413
190: ok 19414
190: ok 19415
190: ok 19416
190: ok 19417
190: ok 19418
190: ok 19419
190: ok 19420
190: ok 19421
190: ok 19422
190: ok 19423
190: ok 19424
190: ok 19425
190: ok 19426
190: ok 19427
190: ok 19428
190: ok 19429
190: ok 19430
190: ok 19431
190: ok 19432
190: ok 19433
190: ok 19434
190: ok 19435
190: ok 19436
190: ok 19437
190: ok 19438
190: ok 19439
190: ok 19440
190: ok 19441
190: ok 19442
190: ok 19443
190: ok 19444
190: ok 19445
190: ok 19446
190: ok 19447
190: ok 19448
190: ok 19449
190: ok 19450
190: ok 19451
190: ok 19452
190: ok 19453
190: ok 19454
190: ok 19455
190: ok 19456
190: ok 19457
190: ok 19458
190: ok 19459
190: ok 19460
190: ok 19461
190: ok 19462
190: ok 19463
190: ok 19464
190: ok 19465
190: ok 19466
190: ok 19467
190: ok 19468
190: ok 19469
190: ok 19470
190: ok 19471
190: ok 19472
190: ok 19473
190: ok 19474
190: ok 19475
190: ok 19476
190: ok 19477
190: ok 19478
190: ok 19479
190: ok 19480
190: ok 19481
190: ok 19482
190: ok 19483
190: ok 19484
190: ok 19485
190: ok 19486
190: ok 19487
190: ok 19488
190: ok 19489
190: ok 19490
190: ok 19491
190: ok 19492
190: ok 19493
190: ok 19494
190: ok 19495
190: ok 19496
190: ok 19497
190: ok 19498
190: ok 19499
190: ok 19500
190: ok 19501
190: ok 19502
190: ok 19503
190: ok 19504
190: ok 19505
190: ok 19506
190: ok 19507
190: ok 19508
190: ok 19509
190: ok 19510
190: ok 19511
190: ok 19512
190: ok 19513
190: ok 19514
190: ok 19515
190: ok 19516
190: ok 19517
190: ok 19518
190: ok 19519
190: ok 19520
190: ok 19521
190: ok 19522
190: ok 19523
190: ok 19524
190: ok 19525
190: ok 19526
190: ok 19527
190: ok 19528
190: ok 19529
190: ok 19530
190: ok 19531
190: ok 19532
190: ok 19533
190: ok 19534
190: ok 19535
190: ok 19536
190: ok 19537
190: ok 19538
190: ok 19539
190: ok 19540
190: ok 19541
190: ok 19542
190: ok 19543
190: ok 19544
190: ok 19545
190: ok 19546
190: ok 19547
190: ok 19548
190: ok 19549
190: ok 19550
190: ok 19551
190: ok 19552
190: ok 19553
190: ok 19554
190: ok 19555
190: ok 19556
190: ok 19557
190: ok 19558
190: ok 19559
190: ok 19560
190: ok 19561
190: ok 19562
190: ok 19563
190: ok 19564
190: ok 19565
190: ok 19566
190: ok 19567
190: ok 19568
190: ok 19569
190: ok 19570
190: ok 19571
190: ok 19572
190: ok 19573
190: ok 19574
190: ok 19575
190: ok 19576
190: ok 19577
190: ok 19578
190: ok 19579
190: ok 19580
190: ok 19581
190: ok 19582
190: ok 19583
190: ok 19584
190: ok 19585
190: ok 19586
190: ok 19587
190: ok 19588
190: ok 19589
190: ok 19590
190: ok 19591
190: ok 19592
190: ok 19593
190: ok 19594
190: ok 19595
190: ok 19596
190: ok 19597
190: ok 19598
190: ok 19599
190: ok 19600
190: ok 19601
190: ok 19602
190: ok 19603
190: ok 19604
190: ok 19605
190: ok 19606
190: ok 19607
190: ok 19608
190: ok 19609
190: ok 19610
190: ok 19611
190: ok 19612
190: ok 19613
190: ok 19614
190: ok 19615
190: ok 19616
190: ok 19617
190: ok 19618
190: ok 19619
190: ok 19620
190: ok 19621
190: ok 19622
190: ok 19623
190: ok 19624
190: ok 19625
190: ok 19626
190: ok 19627
190: ok 19628
190: ok 19629
190: ok 19630
190: ok 19631
190: ok 19632
190: ok 19633
190: ok 19634
190: ok 19635
190: ok 19636
190: ok 19637
190: ok 19638
190: ok 19639
190: ok 19640
190: ok 19641
190: ok 19642
190: ok 19643
190: ok 19644
190: ok 19645
190: ok 19646
190: ok 19647
190: ok 19648
190: ok 19649
190: ok 19650
190: ok 19651
190: ok 19652
190: ok 19653
190: ok 19654
190: ok 19655
190: ok 19656
190: ok 19657
190: ok 19658
190: ok 19659
190: ok 19660
190: ok 19661
190: ok 19662
190: ok 19663
190: ok 19664
190: ok 19665
190: ok 19666
190: ok 19667
190: ok 19668
190: ok 19669
190: ok 19670
190: ok 19671
190: ok 19672
190: ok 19673
190: ok 19674
190: ok 19675
190: ok 19676
190: ok 19677
190: ok 19678
190: ok 19679
190: ok 19680
190: ok 19681
190: ok 19682
190: ok 19683
190: ok 19684
190: ok 19685
190: ok 19686
190: ok 19687
190: ok 19688
190: ok 19689
190: ok 19690
190: ok 19691
190: ok 19692
190: ok 19693
190: ok 19694
190: ok 19695
190: ok 19696
190: ok 19697
190: ok 19698
190: ok 19699
190: ok 19700
190: ok 19701
190: ok 19702
190: ok 19703
190: ok 19704
190: ok 19705
190: ok 19706
190: ok 19707
190: ok 19708
190: ok 19709
190: ok 19710
190: ok 19711
190: ok 19712
190: ok 19713
190: ok 19714
190: ok 19715
190: ok 19716
190: ok 19717
190: ok 19718
190: ok 19719
190: ok 19720
190: ok 19721
190: ok 19722
190: ok 19723
190: ok 19724
190: ok 19725
190: ok 19726
190: ok 19727
190: ok 19728
190: ok 19729
190: ok 19730
190: ok 19731
190: ok 19732
190: ok 19733
190: ok 19734
190: ok 19735
190: ok 19736
190: ok 19737
190: ok 19738
190: ok 19739
190: ok 19740
190: ok 19741
190: ok 19742
190: ok 19743
190: ok 19744
190: ok 19745
190: ok 19746
190: ok 19747
190: ok 19748
190: ok 19749
190: ok 19750
190: ok 19751
190: ok 19752
190: ok 19753
190: ok 19754
190: ok 19755
190: ok 19756
190: ok 19757
190: ok 19758
190: ok 19759
190: ok 19760
190: ok 19761
190: ok 19762
190: ok 19763
190: ok 19764
190: ok 19765
190: ok 19766
190: ok 19767
190: ok 19768
190: ok 19769
190: ok 19770
190: ok 19771
190: ok 19772
190: ok 19773
190: ok 19774
190: ok 19775
190: ok 19776
190: ok 19777
190: ok 19778
190: ok 19779
190: ok 19780
190: ok 19781
190: ok 19782
190: ok 19783
190: ok 19784
190: ok 19785
190: ok 19786
190: ok 19787
190: ok 19788
190: ok 19789
190: ok 19790
190: ok 19791
190: ok 19792
190: ok 19793
190: ok 19794
190: ok 19795
190: ok 19796
190: ok 19797
190: ok 19798
190: ok 19799
190: ok 19800
190: ok 19801
190: ok 19802
190: ok 19803
190: ok 19804
190: ok 19805
190: ok 19806
190: ok 19807
190: ok 19808
190: ok 19809
190: ok 19810
190: ok 19811
190: ok 19812
190: ok 19813
190: ok 19814
190: ok 19815
190: ok 19816
190: ok 19817
190: ok 19818
190: ok 19819
190: ok 19820
190: ok 19821
190: ok 19822
190: ok 19823
190: ok 19824
190: ok 19825
190: ok 19826
190: ok 19827
190: ok 19828
190: ok 19829
190: ok 19830
190: ok 19831
190: ok 19832
190: ok 19833
190: ok 19834
190: ok 19835
190: ok 19836
190: ok 19837
190: ok 19838
190: ok 19839
190: ok 19840
190: ok 19841
190: ok 19842
190: ok 19843
190: ok 19844
190: ok 19845
190: ok 19846
190: ok 19847
190: ok 19848
190: ok 19849
190: ok 19850
190: ok 19851
190: ok 19852
190: ok 19853
190: ok 19854
190: ok 19855
190: ok 19856
190: ok 19857
190: ok 19858
190: ok 19859
190: ok 19860
190: ok 19861
190: ok 19862
190: ok 19863
190: ok 19864
190: ok 19865
190: ok 19866
190: ok 19867
190: ok 19868
190: ok 19869
190: ok 19870
190: ok 19871
190: ok 19872
190: ok 19873
190: ok 19874
190: ok 19875
190: ok 19876
190: ok 19877
190: ok 19878
190: ok 19879
190: ok 19880
190: ok 19881
190: ok 19882
190: ok 19883
190: ok 19884
190: ok 19885
190: ok 19886
190: ok 19887
190: ok 19888
190: ok 19889
190: ok 19890
190: ok 19891
190: ok 19892
190: ok 19893
190: ok 19894
190: ok 19895
190: ok 19896
190: ok 19897
190: ok 19898
190: ok 19899
190: ok 19900
190: ok 19901
190: ok 19902
190: ok 19903
190: ok 19904
190: ok 19905
190: ok 19906
190: ok 19907
190: ok 19908
190: ok 19909
190: ok 19910
190: ok 19911
190: ok 19912
190: ok 19913
190: ok 19914
190: ok 19915
190: ok 19916
190: ok 19917
190: ok 19918
190: ok 19919
190: ok 19920
190: ok 19921
190: ok 19922
190: ok 19923
190: ok 19924
190: ok 19925
190: ok 19926
190: ok 19927
190: ok 19928
190: ok 19929
190: ok 19930
190: ok 19931
190: ok 19932
190: ok 19933
190: ok 19934
190: ok 19935
190: ok 19936
190: ok 19937
190: ok 19938
190: ok 19939
190: ok 19940
190: ok 19941
190: ok 19942
190: ok 19943
190: ok 19944
190: ok 19945
190: ok 19946
190: ok 19947
190: ok 19948
190: ok 19949
190: ok 19950
190: ok 19951
190: ok 19952
190: ok 19953
190: ok 19954
190: ok 19955
190: ok 19956
190: ok 19957
190: ok 19958
190: ok 19959
190: ok 19960
190: ok 19961
190: ok 19962
190: ok 19963
190: ok 19964
190: ok 19965
190: ok 19966
190: ok 19967
190: ok 19968
190: ok 19969
190: ok 19970
190: ok 19971
190: ok 19972
190: ok 19973
190: ok 19974
190: ok 19975
190: ok 19976
190: ok 19977
190: ok 19978
190: ok 19979
190: ok 19980
190: ok 19981
190: ok 19982
190: ok 19983
190: ok 19984
190: ok 19985
190: ok 19986
190: ok 19987
190: ok 19988
190: ok 19989
190: ok 19990
190: ok 19991
190: ok 19992
190: ok 19993
190: ok 19994
190: ok 19995
190: ok 19996
190: ok 19997
190: ok 19998
190: ok 19999
190: ok 20000
190: ok 20001
190: ok 20002
190: ok 20003
190: ok 20004
190: ok 20005
190: ok 20006
190: ok 20007
190: ok 20008
190: ok 20009
190: ok 20010
190: ok 20011
190: ok 20012
190: ok 20013
190: ok 20014
190: ok 20015
190: ok 20016
190: ok 20017
190: ok 20018
190: ok 20019
190: ok 20020
190: ok 20021
190: ok 20022
190: ok 20023
190: ok 20024
190: ok 20025
190: ok 20026
190: ok 20027
190: ok 20028
190: ok 20029
190: ok 20030
190: ok 20031
190: ok 20032
190: ok 20033
190: ok 20034
190: ok 20035
190: ok 20036
190: ok 20037
190: ok 20038
190: ok 20039
190: ok 20040
190: ok 20041
190: ok 20042
190: ok 20043
190: ok 20044
190: ok 20045
190: ok 20046
190: ok 20047
190: ok 20048
190: ok 20049
190: ok 20050
190: ok 20051
190: ok 20052
190: ok 20053
190: ok 20054
190: ok 20055
190: ok 20056
190: ok 20057
190: ok 20058
190: ok 20059
190: ok 20060
190: ok 20061
190: ok 20062
190: ok 20063
190: ok 20064
190: ok 20065
190: ok 20066
190: ok 20067
190: ok 20068
190: ok 20069
190: ok 20070
190: ok 20071
190: ok 20072
190: ok 20073
190: ok 20074
190: ok 20075
190: ok 20076
190: ok 20077
190: ok 20078
190: ok 20079
190: ok 20080
190: ok 20081
190: ok 20082
190: ok 20083
190: ok 20084
190: ok 20085
190: ok 20086
190: ok 20087
190: ok 20088
190: ok 20089
190: ok 20090
190: ok 20091
190: ok 20092
190: ok 20093
190: ok 20094
190: ok 20095
190: ok 20096
190: ok 20097
190: ok 20098
190: ok 20099
190: ok 20100
190: ok 20101
190: ok 20102
190: ok 20103
190: ok 20104
190: ok 20105
190: ok 20106
190: ok 20107
190: ok 20108
190: ok 20109
190: ok 20110
190: ok 20111
190: ok 20112
190: ok 20113
190: ok 20114
190: ok 20115
190: ok 20116
190: ok 20117
190: ok 20118
190: ok 20119
190: ok 20120
190: ok 20121
190: ok 20122
190: ok 20123
190: ok 20124
190: ok 20125
190: ok 20126
190: ok 20127
190: ok 20128
190: ok 20129
190: ok 20130
190: ok 20131
190: ok 20132
190: ok 20133
190: ok 20134
190: ok 20135
190: ok 20136
190: ok 20137
190: ok 20138
190: ok 20139
190: ok 20140
190: ok 20141
190: ok 20142
190: ok 20143
190: ok 20144
190: ok 20145
190: ok 20146
190: ok 20147
190: ok 20148
190: ok 20149
190: ok 20150
190: ok 20151
190: ok 20152
190: ok 20153
190: ok 20154
190: ok 20155
190: ok 20156
190: ok 20157
190: ok 20158
190: ok 20159
190: ok 20160
190: ok 20161
190: ok 20162
190: ok 20163
190: ok 20164
190: ok 20165
190: ok 20166
190: ok 20167
190: ok 20168
190: ok 20169
190: ok 20170
190: ok 20171
190: ok 20172
190: ok 20173
190: ok 20174
190: ok 20175
190: ok 20176
190: ok 20177
190: ok 20178
190: ok 20179
190: ok 20180
190: ok 20181
190: ok 20182
190: ok 20183
190: ok 20184
190: ok 20185
190: ok 20186
190: ok 20187
190: ok 20188
190: ok 20189
190: ok 20190
190: ok 20191
190: ok 20192
190: ok 20193
190: ok 20194
190: ok 20195
190: ok 20196
190: ok 20197
190: ok 20198
190: ok 20199
190: ok 20200
190: ok 20201
190: ok 20202
190: ok 20203
190: ok 20204
190: ok 20205
190: ok 20206
190: ok 20207
190: ok 20208
190: ok 20209
190: ok 20210
190: ok 20211
190: ok 20212
190: ok 20213
190: ok 20214
190: ok 20215
190: ok 20216
190: ok 20217
190: ok 20218
190: ok 20219
190: ok 20220
190: ok 20221
190: ok 20222
190: ok 20223
190: ok 20224
190: ok 20225
190: ok 20226
190: ok 20227
190: ok 20228
190: ok 20229
190: ok 20230
190: ok 20231
190: ok 20232
190: ok 20233
190: ok 20234
190: ok 20235
190: ok 20236
190: ok 20237
190: ok 20238
190: ok 20239
190: ok 20240
190: ok 20241
190: ok 20242
190: ok 20243
190: ok 20244
190: ok 20245
190: ok 20246
190: ok 20247
190: ok 20248
190: ok 20249
190: ok 20250
190: ok 20251
190: ok 20252
190: ok 20253
190: ok 20254
190: ok 20255
190: ok 20256
190: ok 20257
190: ok 20258
190: ok 20259
190: ok 20260
190: ok 20261
190: ok 20262
190: ok 20263
190: ok 20264
190: ok 20265
190: ok 20266
190: ok 20267
190: ok 20268
190: ok 20269
190: ok 20270
190: ok 20271
190: ok 20272
190: ok 20273
190: ok 20274
190: ok 20275
190: ok 20276
190: ok 20277
190: ok 20278
190: ok 20279
190: ok 20280
190: ok 20281
190: ok 20282
190: ok 20283
190: ok 20284
190: ok 20285
190: ok 20286
190: ok 20287
190: ok 20288
190: ok 20289
190: ok 20290
190: ok 20291
190: ok 20292
190: ok 20293
190: ok 20294
190: ok 20295
190: ok 20296
190: ok 20297
190: ok 20298
190: ok 20299
190: ok 20300
190: ok 20301
190: ok 20302
190: ok 20303
190: ok 20304
190: ok 20305
190: ok 20306
190: ok 20307
190: ok 20308
190: ok 20309
190: ok 20310
190: ok 20311
190: ok 20312
190: ok 20313
190: ok 20314
190: ok 20315
190: ok 20316
190: ok 20317
190: ok 20318
190: ok 20319
190: ok 20320
190: ok 20321
190: ok 20322
190: ok 20323
190: ok 20324
190: ok 20325
190: ok 20326
190: ok 20327
190: ok 20328
190: ok 20329
190: ok 20330
190: ok 20331
190: ok 20332
190: ok 20333
190: ok 20334
190: ok 20335
190: ok 20336
190: ok 20337
190: ok 20338
190: ok 20339
190: ok 20340
190: ok 20341
190: ok 20342
190: ok 20343
190: ok 20344
190: ok 20345
190: ok 20346
190: ok 20347
190: ok 20348
190: ok 20349
190: ok 20350
190: ok 20351
190: ok 20352
190: ok 20353
190: ok 20354
190: ok 20355
190: ok 20356
190: ok 20357
190: ok 20358
190: ok 20359
190: ok 20360
190: ok 20361
190: ok 20362
190: ok 20363
190: ok 20364
190: ok 20365
190: ok 20366
190: ok 20367
190: ok 20368
190: ok 20369
190: ok 20370
190: ok 20371
190: ok 20372
190: ok 20373
190: ok 20374
190: ok 20375
190: ok 20376
190: ok 20377
190: ok 20378
190: ok 20379
190: ok 20380
190: ok 20381
190: ok 20382
190: ok 20383
190: ok 20384
190: ok 20385
190: ok 20386
190: ok 20387
190: ok 20388
190: ok 20389
190: ok 20390
190: ok 20391
190: ok 20392
190: ok 20393
190: ok 20394
190: ok 20395
190: ok 20396
190: ok 20397
190: ok 20398
190: ok 20399
190: ok 20400
190: ok 20401
190: ok 20402
190: ok 20403
190: ok 20404
190: ok 20405
190: ok 20406
190: ok 20407
190: ok 20408
190: ok 20409
190: ok 20410
190: ok 20411
190: ok 20412
190: ok 20413
190: ok 20414
190: ok 20415
190: ok 20416
190: ok 20417
190: ok 20418
190: ok 20419
190: ok 20420
190: ok 20421
190: ok 20422
190: ok 20423
190: ok 20424
190: ok 20425
190: ok 20426
190: ok 20427
190: ok 20428
190: ok 20429
190: ok 20430
190: ok 20431
190: ok 20432
190: ok 20433
190: ok 20434
190: ok 20435
190: ok 20436
190: ok 20437
190: ok 20438
190: ok 20439
190: ok 20440
190: ok 20441
190: ok 20442
190: ok 20443
190: ok 20444
190: ok 20445
190: ok 20446
190: ok 20447
190: ok 20448
190: ok 20449
190: ok 20450
190: ok 20451
190: ok 20452
190: ok 20453
190: ok 20454
190: ok 20455
190: ok 20456
190: ok 20457
190: ok 20458
190: ok 20459
190: ok 20460
190: ok 20461
190: ok 20462
190: ok 20463
190: ok 20464
190: ok 20465
190: ok 20466
190: ok 20467
190: ok 20468
190: ok 20469
190: ok 20470
190: ok 20471
190: ok 20472
190: ok 20473
190: ok 20474
190: ok 20475
190: ok 20476
190: ok 20477
190: ok 20478
190: ok 20479
190: ok 20480
190: ok 20481
190: ok 20482
190: ok 20483
190: ok 20484
190: ok 20485
190: ok 20486
190: ok 20487
190: ok 20488
190: ok 20489
190: ok 20490
190: ok 20491
190: ok 20492
190: ok 20493
190: ok 20494
190: ok 20495
190: ok 20496
190: ok 20497
190: ok 20498
190: ok 20499
190: ok 20500
190: ok 20501
190: ok 20502
190: ok 20503
190: ok 20504
190: ok 20505
190: ok 20506
190: ok 20507
190: ok 20508
190: ok 20509
190: ok 20510
190: ok 20511
190: ok 20512
190: ok 20513
190: ok 20514
190: ok 20515
190: ok 20516
190: ok 20517
190: ok 20518
190: ok 20519
190: ok 20520
190: ok 20521
190: ok 20522
190: ok 20523
190: ok 20524
190: ok 20525
190: ok 20526
190: ok 20527
190: ok 20528
190: ok 20529
190: ok 20530
190: ok 20531
190: ok 20532
190: ok 20533
190: ok 20534
190: ok 20535
190: ok 20536
190: ok 20537
190: ok 20538
190: ok 20539
190: ok 20540
190: ok 20541
190: ok 20542
190: ok 20543
190: ok 20544
190: ok 20545
190: ok 20546
190: ok 20547
190: ok 20548
190: ok 20549
190: ok 20550
190: ok 20551
190: ok 20552
190: ok 20553
190: ok 20554
190: ok 20555
190: ok 20556
190: ok 20557
190: ok 20558
190: ok 20559
190: ok 20560
190: ok 20561
190: ok 20562
190: ok 20563
190: ok 20564
190: ok 20565
190: ok 20566
190: ok 20567
190: ok 20568
190: ok 20569
190: ok 20570
190: ok 20571
190: ok 20572
190: ok 20573
190: ok 20574
190: ok 20575
190: ok 20576
190: ok 20577
190: ok 20578
190: ok 20579
190: ok 20580
190: ok 20581
190: ok 20582
190: ok 20583
190: ok 20584
190: ok 20585
190: ok 20586
190: ok 20587
190: ok 20588
190: ok 20589
190: ok 20590
190: ok 20591
190: ok 20592
190: ok 20593
190: ok 20594
190: ok 20595
190: ok 20596
190: ok 20597
190: ok 20598
190: ok 20599
190: ok 20600
190: ok 20601
190: ok 20602
190: ok 20603
190: ok 20604
190: ok 20605
190: ok 20606
190: ok 20607
190: ok 20608
190: ok 20609
190: ok 20610
190: ok 20611
190: ok 20612
190: ok 20613
190: ok 20614
190: ok 20615
190: ok 20616
190: ok 20617
190: ok 20618
190: ok 20619
190: ok 20620
190: ok 20621
190: ok 20622
190: ok 20623
190: ok 20624
190: ok 20625
190: ok 20626
190: ok 20627
190: ok 20628
190: ok 20629
190: ok 20630
190: ok 20631
190: ok 20632
190: ok 20633
190: ok 20634
190: ok 20635
190: ok 20636
190: ok 20637
190: ok 20638
190: ok 20639
190: ok 20640
190: ok 20641
190: ok 20642
190: ok 20643
190: ok 20644
190: ok 20645
190: ok 20646
190: ok 20647
190: ok 20648
190: ok 20649
190: ok 20650
190: ok 20651
190: ok 20652
190: ok 20653
190: ok 20654
190: ok 20655
190: ok 20656
190: ok 20657
190: ok 20658
190: ok 20659
190: ok 20660
190: ok 20661
190: ok 20662
190: ok 20663
190: ok 20664
190: ok 20665
190: ok 20666
190: ok 20667
190: ok 20668
190: ok 20669
190: ok 20670
190: ok 20671
190: ok 20672
190: ok 20673
190: ok 20674
190: ok 20675
190: ok 20676
190: ok 20677
190: ok 20678
190: ok 20679
190: ok 20680
190: ok 20681
190: ok 20682
190: ok 20683
190: ok 20684
190: ok 20685
190: ok 20686
190: ok 20687
190: ok 20688
190: ok 20689
190: ok 20690
190: ok 20691
190: ok 20692
190: ok 20693
190: ok 20694
190: ok 20695
190: ok 20696
190: ok 20697
190: ok 20698
190: ok 20699
190: ok 20700
190: ok 20701
190: ok 20702
190: ok 20703
190: ok 20704
190: ok 20705
190: ok 20706
190: ok 20707
190: ok 20708
190: ok 20709
190: ok 20710
190: ok 20711
190: ok 20712
190: ok 20713
190: ok 20714
190: ok 20715
190: ok 20716
190: ok 20717
190: ok 20718
190: ok 20719
190: ok 20720
190: ok 20721
190: ok 20722
190: ok 20723
190: ok 20724
190: ok 20725
190: ok 20726
190: ok 20727
190: ok 20728
190: ok 20729
190: ok 20730
190: ok 20731
190: ok 20732
190: ok 20733
190: ok 20734
190: ok 20735
190: ok 20736
190: ok 20737
190: ok 20738
190: ok 20739
190: ok 20740
190: ok 20741
190: ok 20742
190: ok 20743
190: ok 20744
190: ok 20745
190: ok 20746
190: ok 20747
190: ok 20748
190: ok 20749
190: ok 20750
190: ok 20751
190: ok 20752
190: ok 20753
190: ok 20754
190: ok 20755
190: ok 20756
190: ok 20757
190: ok 20758
190: ok 20759
190: ok 20760
190: ok 20761
190: ok 20762
190: ok 20763
190: ok 20764
190: ok 20765
190: ok 20766
190: ok 20767
190: ok 20768
190: ok 20769
190: ok 20770
190: ok 20771
190: ok 20772
190: ok 20773
190: ok 20774
190: ok 20775
190: ok 20776
190: ok 20777
190: ok 20778
190: ok 20779
190: ok 20780
190: ok 20781
190: ok 20782
190: ok 20783
190: ok 20784
190: ok 20785
190: ok 20786
190: ok 20787
190: ok 20788
190: ok 20789
190: ok 20790
190: ok 20791
190: ok 20792
190: ok 20793
190: ok 20794
190: ok 20795
190: ok 20796
190: ok 20797
190: ok 20798
190: ok 20799
190: ok 20800
190: ok 20801
190: ok 20802
190: ok 20803
190: ok 20804
190: ok 20805
190: ok 20806
190: ok 20807
190: ok 20808
190: ok 20809
190: ok 20810
190: ok 20811
190: ok 20812
190: ok 20813
190: ok 20814
190: ok 20815
190: ok 20816
190: ok 20817
190: ok 20818
190: ok 20819
190: ok 20820
190: ok 20821
190: ok 20822
190: ok 20823
190: ok 20824
190: ok 20825
190: ok 20826
190: ok 20827
190: ok 20828
190: ok 20829
190: ok 20830
190: ok 20831
190: ok 20832
190: ok 20833
190: ok 20834
190: ok 20835
190: ok 20836
190: ok 20837
190: ok 20838
190: ok 20839
190: ok 20840
190: ok 20841
190: ok 20842
190: ok 20843
190: ok 20844
190: ok 20845
190: ok 20846
190: ok 20847
190: ok 20848
190: ok 20849
190: ok 20850
190: ok 20851
190: ok 20852
190: ok 20853
190: ok 20854
190: ok 20855
190: ok 20856
190: ok 20857
190: ok 20858
190: ok 20859
190: ok 20860
190: ok 20861
190: ok 20862
190: ok 20863
190: ok 20864
190: ok 20865
190: ok 20866
190: ok 20867
190: ok 20868
190: ok 20869
190: ok 20870
190: ok 20871
190: ok 20872
190: ok 20873
190: ok 20874
190: ok 20875
190: ok 20876
190: ok 20877
190: ok 20878
190: ok 20879
190: ok 20880
190: ok 20881
190: ok 20882
190: ok 20883
190: ok 20884
190: ok 20885
190: ok 20886
190: ok 20887
190: ok 20888
190: ok 20889
190: ok 20890
190: ok 20891
190: ok 20892
190: ok 20893
190: ok 20894
190: ok 20895
190: ok 20896
190: ok 20897
190: ok 20898
190: ok 20899
190: ok 20900
190: ok 20901
190: ok 20902
190: ok 20903
190: ok 20904
190: ok 20905
190: ok 20906
190: ok 20907
190: ok 20908
190: ok 20909
190: ok 20910
190: ok 20911
190: ok 20912
190: ok 20913
190: ok 20914
190: ok 20915
190: ok 20916
190: ok 20917
190: ok 20918
190: ok 20919
190: ok 20920
190: ok 20921
190: ok 20922
190: ok 20923
190: ok 20924
190: ok 20925
190: ok 20926
190: ok 20927
190: ok 20928
190: ok 20929
190: ok 20930
190: ok 20931
190: ok 20932
190: ok 20933
190: ok 20934
190: ok 20935
190: ok 20936
190: ok 20937
190: ok 20938
190: ok 20939
190: ok 20940
190: ok 20941
190: ok 20942
190: ok 20943
190: ok 20944
190: ok 20945
190: ok 20946
190: ok 20947
190: ok 20948
190: ok 20949
190: ok 20950
190: ok 20951
190: ok 20952
190: ok 20953
190: ok 20954
190: ok 20955
190: ok 20956
190: ok 20957
190: ok 20958
190: ok 20959
190: ok 20960
190: ok 20961
190: ok 20962
190: ok 20963
190: ok 20964
190: ok 20965
190: ok 20966
190: ok 20967
190: ok 20968
190: ok 20969
190: ok 20970
190: ok 20971
190: ok 20972
190: ok 20973
190: ok 20974
190: ok 20975
190: ok 20976
190: ok 20977
190: ok 20978
190: ok 20979
190: ok 20980
190: ok 20981
190: ok 20982
190: ok 20983
190: ok 20984
190: ok 20985
190: ok 20986
190: ok 20987
190: ok 20988
190: ok 20989
190: ok 20990
190: ok 20991
190: ok 20992
190: ok 20993
190: ok 20994
190: ok 20995
190: ok 20996
190: ok 20997
190: ok 20998
190: ok 20999
190: ok 21000
190: ok 21001
190: ok 21002
190: ok 21003
190: ok 21004
190: ok 21005
190: ok 21006
190: ok 21007
190: ok 21008
190: ok 21009
190: ok 21010
190: ok 21011
190: ok 21012
190: ok 21013
190: ok 21014
190: ok 21015
190: ok 21016
190: ok 21017
190: ok 21018
190: ok 21019
190: ok 21020
190: ok 21021
190: ok 21022
190: ok 21023
190: ok 21024
190: ok 21025
190: ok 21026
190: ok 21027
190: ok 21028
190: ok 21029
190: ok 21030
190: ok 21031
190: ok 21032
190: ok 21033
190: ok 21034
190: ok 21035
190: ok 21036
190: ok 21037
190: ok 21038
190: ok 21039
190: ok 21040
190: ok 21041
190: ok 21042
190: ok 21043
190: ok 21044
190: ok 21045
190: ok 21046
190: ok 21047
190: ok 21048
190: ok 21049
190: ok 21050
190: ok 21051
190: ok 21052
190: ok 21053
190: ok 21054
190: ok 21055
190: ok 21056
190: ok 21057
190: ok 21058
190: ok 21059
190: ok 21060
190: ok 21061
190: ok 21062
190: ok 21063
190: ok 21064
190: ok 21065
190: ok 21066
190: ok 21067
190: ok 21068
190: ok 21069
190: ok 21070
190: ok 21071
190: ok 21072
190: ok 21073
190: ok 21074
190: ok 21075
190: ok 21076
190: ok 21077
190: ok 21078
190: ok 21079
190: ok 21080
190: ok 21081
190: ok 21082
190: ok 21083
190: ok 21084
190: ok 21085
190: ok 21086
190: ok 21087
190: ok 21088
190: ok 21089
190: ok 21090
190: ok 21091
190: ok 21092
190: ok 21093
190: ok 21094
190: ok 21095
190: ok 21096
190: ok 21097
190: ok 21098
190: ok 21099
190: ok 21100
190: ok 21101
190: ok 21102
190: ok 21103
190: ok 21104
190: ok 21105
190: ok 21106
190: ok 21107
190: ok 21108
190: ok 21109
190: ok 21110
190: ok 21111
190: ok 21112
190: ok 21113
190: ok 21114
190: ok 21115
190: ok 21116
190: ok 21117
190: ok 21118
190: ok 21119
190: ok 21120
190: ok 21121
190: ok 21122
190: ok 21123
190: ok 21124
190: ok 21125
190: ok 21126
190: ok 21127
190: ok 21128
190: ok 21129
190: ok 21130
190: ok 21131
190: ok 21132
190: ok 21133
190: ok 21134
190: ok 21135
190: ok 21136
190: ok 21137
190: ok 21138
190: ok 21139
190: ok 21140
190: ok 21141
190: ok 21142
190: ok 21143
190: ok 21144
190: ok 21145
190: ok 21146
190: ok 21147
190: ok 21148
190: ok 21149
190: ok 21150
190: ok 21151
190: ok 21152
190: ok 21153
190: ok 21154
190: ok 21155
190: ok 21156
190: ok 21157
190: ok 21158
190: ok 21159
190: ok 21160
190: ok 21161
190: ok 21162
190: ok 21163
190: ok 21164
190: ok 21165
190: ok 21166
190: ok 21167
190: ok 21168
190: ok 21169
190: ok 21170
190: ok 21171
190: ok 21172
190: ok 21173
190: ok 21174
190: ok 21175
190: ok 21176
190: ok 21177
190: ok 21178
190: ok 21179
190: ok 21180
190: ok 21181
190: ok 21182
190: ok 21183
190: ok 21184
190: ok 21185
190: ok 21186
190: ok 21187
190: ok 21188
190: ok 21189
190: ok 21190
190: ok 21191
190: ok 21192
190: ok 21193
190: ok 21194
190: ok 21195
190: ok 21196
190: ok 21197
190: ok 21198
190: ok 21199
190: ok 21200
190: ok 21201
190: ok 21202
190: ok 21203
190: ok 21204
190: ok 21205
190: ok 21206
190: ok 21207
190: ok 21208
190: ok 21209
190: ok 21210
190: ok 21211
190: ok 21212
190: ok 21213
190: ok 21214
190: ok 21215
190: ok 21216
190: ok 21217
190: ok 21218
190: ok 21219
190: ok 21220
190: ok 21221
190: ok 21222
190: ok 21223
190: ok 21224
190: ok 21225
190: ok 21226
190: ok 21227
190: ok 21228
190: ok 21229
190: ok 21230
190: ok 21231
190: ok 21232
190: ok 21233
190: ok 21234
190: ok 21235
190: ok 21236
190: ok 21237
190: ok 21238
190: ok 21239
190: ok 21240
190: ok 21241
190: ok 21242
190: ok 21243
190: ok 21244
190: ok 21245
190: ok 21246
190: ok 21247
190: ok 21248
190: ok 21249
190: ok 21250
190: ok 21251
190: ok 21252
190: ok 21253
190: ok 21254
190: ok 21255
190: ok 21256
190: ok 21257
190: ok 21258
190: ok 21259
190: ok 21260
190: ok 21261
190: ok 21262
190: ok 21263
190: ok 21264
190: ok 21265
190: ok 21266
190: ok 21267
190: ok 21268
190: ok 21269
190: ok 21270
190: ok 21271
190: ok 21272
190: ok 21273
190: ok 21274
190: ok 21275
190: ok 21276
190: ok 21277
190: ok 21278
190: ok 21279
190: ok 21280
190: ok 21281
190: ok 21282
190: ok 21283
190: ok 21284
190: ok 21285
190: ok 21286
190: ok 21287
190: ok 21288
190: ok 21289
190: ok 21290
190: ok 21291
190: ok 21292
190: ok 21293
190: ok 21294
190: ok 21295
190: ok 21296
190: ok 21297
190: ok 21298
190: ok 21299
190: ok 21300
190: ok 21301
190: ok 21302
190: ok 21303
190: ok 21304
190: ok 21305
190: ok 21306
190: ok 21307
190: ok 21308
190: ok 21309
190: ok 21310
190: ok 21311
190: ok 21312
190: ok 21313
190: ok 21314
190: ok 21315
190: ok 21316
190: ok 21317
190: ok 21318
190: ok 21319
190: ok 21320
190: ok 21321
190: ok 21322
190: ok 21323
190: ok 21324
190: ok 21325
190: ok 21326
190: ok 21327
190: ok 21328
190: ok 21329
190: ok 21330
190: ok 21331
190: ok 21332
190: ok 21333
190: ok 21334
190: ok 21335
190: ok 21336
190: ok 21337
190: ok 21338
190: ok 21339
190: ok 21340
190: ok 21341
190: ok 21342
190: ok 21343
190: ok 21344
190: ok 21345
190: ok 21346
190: ok 21347
190: ok 21348
190: ok 21349
190: ok 21350
190: ok 21351
190: ok 21352
190: ok 21353
190: ok 21354
190: ok 21355
190: ok 21356
190: ok 21357
190: ok 21358
190: ok 21359
190: ok 21360
190: ok 21361
190: ok 21362
190: ok 21363
190: ok 21364
190: ok 21365
190: ok 21366
190: ok 21367
190: ok 21368
190: ok 21369
190: ok 21370
190: ok 21371
190: ok 21372
190: ok 21373
190: ok 21374
190: ok 21375
190: ok 21376
190: ok 21377
190: ok 21378
190: ok 21379
190: ok 21380
190: ok 21381
190: ok 21382
190: ok 21383
190: ok 21384
190: ok 21385
190: ok 21386
190: ok 21387
190: ok 21388
190: ok 21389
190: ok 21390
190: ok 21391
190: ok 21392
190: ok 21393
190: ok 21394
190: ok 21395
190: ok 21396
190: ok 21397
190: ok 21398
190: ok 21399
190: ok 21400
190: ok 21401
190: ok 21402
190: ok 21403
190: ok 21404
190: ok 21405
190: ok 21406
190: ok 21407
190: ok 21408
190: ok 21409
190: ok 21410
190: ok 21411
190: ok 21412
190: ok 21413
190: ok 21414
190: ok 21415
190: ok 21416
190: ok 21417
190: ok 21418
190: ok 21419
190: ok 21420
190: ok 21421
190: ok 21422
190: ok 21423
190: ok 21424
190: ok 21425
190: ok 21426
190: ok 21427
190: ok 21428
190: ok 21429
190: ok 21430
190: ok 21431
190: ok 21432
190: ok 21433
190: ok 21434
190: ok 21435
190: ok 21436
190: ok 21437
190: ok 21438
190: ok 21439
190: ok 21440
190: ok 21441
190: ok 21442
190: ok 21443
190: ok 21444
190: ok 21445
190: ok 21446
190: ok 21447
190: ok 21448
190: ok 21449
190: ok 21450
190: ok 21451
190: ok 21452
190: ok 21453
190: ok 21454
190: ok 21455
190: ok 21456
190: ok 21457
190: ok 21458
190: ok 21459
190: ok 21460
190: ok 21461
190: ok 21462
190: ok 21463
190: ok 21464
190: ok 21465
190: ok 21466
190: ok 21467
190: ok 21468
190: ok 21469
190: ok 21470
190: ok 21471
190: ok 21472
190: ok 21473
190: ok 21474
190: ok 21475
190: ok 21476
190: ok 21477
190: ok 21478
190: ok 21479
190: ok 21480
190: ok 21481
190: ok 21482
190: ok 21483
190: ok 21484
190: ok 21485
190: ok 21486
190: ok 21487
190: ok 21488
190: ok 21489
190: ok 21490
190: ok 21491
190: ok 21492
190: ok 21493
190: ok 21494
190: ok 21495
190: ok 21496
190: ok 21497
190: ok 21498
190: ok 21499
190: ok 21500
190: ok 21501
190: ok 21502
190: ok 21503
190: ok 21504
190: ok 21505
190: ok 21506
190: ok 21507
190: ok 21508
190: ok 21509
190: ok 21510
190: ok 21511
190: ok 21512
190: ok 21513
190: ok 21514
190: ok 21515
190: ok 21516
190: ok 21517
190: ok 21518
190: ok 21519
190: ok 21520
190: ok 21521
190: ok 21522
190: ok 21523
190: ok 21524
190: ok 21525
190: ok 21526
190: ok 21527
190: ok 21528
190: ok 21529
190: ok 21530
190: ok 21531
190: ok 21532
190: ok 21533
190: ok 21534
190: ok 21535
190: ok 21536
190: ok 21537
190: ok 21538
190: ok 21539
190: ok 21540
190: ok 21541
190: ok 21542
190: ok 21543
190: ok 21544
190: ok 21545
190: ok 21546
190: ok 21547
190: ok 21548
190: ok 21549
190: ok 21550
190: ok 21551
190: ok 21552
190: ok 21553
190: ok 21554
190: ok 21555
190: ok 21556
190: ok 21557
190: ok 21558
190: ok 21559
190: ok 21560
190: ok 21561
190: ok 21562
190: ok 21563
190: ok 21564
190: ok 21565
190: ok 21566
190: ok 21567
190: ok 21568
190: ok 21569
190: ok 21570
190: ok 21571
190: ok 21572
190: ok 21573
190: ok 21574
190: ok 21575
190: ok 21576
190: ok 21577
190: ok 21578
190: ok 21579
190: ok 21580
190: ok 21581
190: ok 21582
190: ok 21583
190: ok 21584
190: ok 21585
190: ok 21586
190: ok 21587
190: ok 21588
190: ok 21589
190: ok 21590
190: ok 21591
190: ok 21592
190: ok 21593
190: ok 21594
190: ok 21595
190: ok 21596
190: ok 21597
190: ok 21598
190: ok 21599
190: ok 21600
190: ok 21601
190: ok 21602
190: ok 21603
190: ok 21604
190: ok 21605
190: ok 21606
190: ok 21607
190: ok 21608
190: ok 21609
190: ok 21610
190: ok 21611
190: ok 21612
190: ok 21613
190: ok 21614
190: ok 21615
190: ok 21616
190: ok 21617
190: ok 21618
190: ok 21619
190: ok 21620
190: ok 21621
190: ok 21622
190: ok 21623
190: ok 21624
190: ok 21625
190: ok 21626
190: ok 21627
190: ok 21628
190: ok 21629
190: ok 21630
190: ok 21631
190: ok 21632
190: ok 21633
190: ok 21634
190: ok 21635
190: ok 21636
190: ok 21637
190: ok 21638
190: ok 21639
190: ok 21640
190: ok 21641
190: ok 21642
190: ok 21643
190: ok 21644
190: ok 21645
190: ok 21646
190: ok 21647
190: ok 21648
190: ok 21649
190: ok 21650
190: ok 21651
190: ok 21652
190: ok 21653
190: ok 21654
190: ok 21655
190: ok 21656
190: ok 21657
190: ok 21658
190: ok 21659
190: ok 21660
190: ok 21661
190: ok 21662
190: ok 21663
190: ok 21664
190: ok 21665
190: ok 21666
190: ok 21667
190: ok 21668
190: ok 21669
190: ok 21670
190: ok 21671
190: ok 21672
190: ok 21673
190: ok 21674
190: ok 21675
190: ok 21676
190: ok 21677
190: ok 21678
190: ok 21679
190: ok 21680
190: ok 21681
190: ok 21682
190: ok 21683
190: ok 21684
190: ok 21685
190: ok 21686
190: ok 21687
190: ok 21688
190: ok 21689
190: ok 21690
190: ok 21691
190: ok 21692
190: ok 21693
190: ok 21694
190: ok 21695
190: ok 21696
190: ok 21697
190: ok 21698
190: ok 21699
190: ok 21700
190: ok 21701
190: ok 21702
190: ok 21703
190: ok 21704
190: ok 21705
190: ok 21706
190: ok 21707
190: ok 21708
190: ok 21709
190: ok 21710
190: ok 21711
190: ok 21712
190: ok 21713
190: ok 21714
190: ok 21715
190: ok 21716
190: ok 21717
190: ok 21718
190: ok 21719
190: ok 21720
190: ok 21721
190: ok 21722
190: ok 21723
190: ok 21724
190: ok 21725
190: ok 21726
190: ok 21727
190: ok 21728
190: ok 21729
190: ok 21730
190: ok 21731
190: ok 21732
190: ok 21733
190: ok 21734
190: ok 21735
190: ok 21736
190: ok 21737
190: ok 21738
190: ok 21739
190: ok 21740
190: ok 21741
190: ok 21742
190: ok 21743
190: ok 21744
190: ok 21745
190: ok 21746
190: ok 21747
190: ok 21748
190: ok 21749
190: ok 21750
190: ok 21751
190: ok 21752
190: ok 21753
190: ok 21754
190: ok 21755
190: ok 21756
190: ok 21757
190: ok 21758
190: ok 21759
190: ok 21760
190: ok 21761
190: ok 21762
190: ok 21763
190: ok 21764
190: ok 21765
190: ok 21766
190: ok 21767
190: ok 21768
190: ok 21769
190: ok 21770
190: ok 21771
190: ok 21772
190: ok 21773
190: ok 21774
190: ok 21775
190: ok 21776
190: ok 21777
190: ok 21778
190: ok 21779
190: ok 21780
190: ok 21781
190: ok 21782
190: ok 21783
190: ok 21784
190: ok 21785
190: ok 21786
190: ok 21787
190: ok 21788
190: ok 21789
190: ok 21790
190: ok 21791
190: ok 21792
190: ok 21793
190: ok 21794
190: ok 21795
190: ok 21796
190: ok 21797
190: ok 21798
190: ok 21799
190: ok 21800
190: ok 21801
190: ok 21802
190: ok 21803
190: ok 21804
190: ok 21805
190: ok 21806
190: ok 21807
190: ok 21808
190: ok 21809
190: ok 21810
190: ok 21811
190: ok 21812
190: ok 21813
190: ok 21814
190: ok 21815
190: ok 21816
190: ok 21817
190: ok 21818
190: ok 21819
190: ok 21820
190: ok 21821
190: ok 21822
190: ok 21823
190: ok 21824
190: ok 21825
190: ok 21826
190: ok 21827
190: ok 21828
190: ok 21829
190: ok 21830
190: ok 21831
190: ok 21832
190: ok 21833
190: ok 21834
190: ok 21835
190: ok 21836
190: ok 21837
190: ok 21838
190: ok 21839
190: ok 21840
190: ok 21841
190: ok 21842
190: ok 21843
190: ok 21844
190: ok 21845
190: ok 21846
190: ok 21847
190: ok 21848
190: ok 21849
190: ok 21850
190: ok 21851
190: ok 21852
190: ok 21853
190: ok 21854
190: ok 21855
190: ok 21856
190: ok 21857
190: ok 21858
190: ok 21859
190: ok 21860
190: ok 21861
190: ok 21862
190: ok 21863
190: ok 21864
190: ok 21865
190: ok 21866
190: ok 21867
190: ok 21868
190: ok 21869
190: ok 21870
190: ok 21871
190: ok 21872
190: ok 21873
190: ok 21874
190: ok 21875
190: ok 21876
190: ok 21877
190: ok 21878
190: ok 21879
190: ok 21880
190: ok 21881
190: ok 21882
190: ok 21883
190: ok 21884
190: ok 21885
190: ok 21886
190: ok 21887
190: ok 21888
190: ok 21889
190: ok 21890
190: ok 21891
190: ok 21892
190: ok 21893
190: ok 21894
190: ok 21895
190: ok 21896
190: ok 21897
190: ok 21898
190: ok 21899
190: ok 21900
190: ok 21901
190: ok 21902
190: ok 21903
190: ok 21904
190: ok 21905
190: ok 21906
190: ok 21907
190: ok 21908
190: ok 21909
190: ok 21910
190: ok 21911
190: ok 21912
190: ok 21913
190: ok 21914
190: ok 21915
190: ok 21916
190: ok 21917
190: ok 21918
190: ok 21919
190: ok 21920
190: ok 21921
190: ok 21922
190: ok 21923
190: ok 21924
190: ok 21925
190: ok 21926
190: ok 21927
190: ok 21928
190: ok 21929
190: ok 21930
190: ok 21931
190: ok 21932
190: ok 21933
190: ok 21934
190: ok 21935
190: ok 21936
190: ok 21937
190: ok 21938
190: ok 21939
190: ok 21940
190: ok 21941
190: ok 21942
190: ok 21943
190: ok 21944
190: ok 21945
190: ok 21946
190: ok 21947
190: ok 21948
190: ok 21949
190: ok 21950
190: ok 21951
190: ok 21952
190: ok 21953
190: ok 21954
190: ok 21955
190: ok 21956
190: ok 21957
190: ok 21958
190: ok 21959
190: ok 21960
190: ok 21961
190: ok 21962
190: ok 21963
190: ok 21964
190: ok 21965
190: ok 21966
190: ok 21967
190: ok 21968
190: ok 21969
190: ok 21970
190: ok 21971
190: ok 21972
190: ok 21973
190: ok 21974
190: ok 21975
190: ok 21976
190: ok 21977
190: ok 21978
190: ok 21979
190: ok 21980
190: ok 21981
190: ok 21982
190: ok 21983
190: ok 21984
190: ok 21985
190: ok 21986
190: ok 21987
190: ok 21988
190: ok 21989
190: ok 21990
190: ok 21991
190: ok 21992
190: ok 21993
190: ok 21994
190: ok 21995
190: ok 21996
190: ok 21997
190: ok 21998
190: ok 21999
190: ok 22000
190: ok 22001
190: ok 22002
190: ok 22003
190: ok 22004
190: ok 22005
190: ok 22006
190: ok 22007
190: ok 22008
190: ok 22009
190: ok 22010
190: ok 22011
190: ok 22012
190: ok 22013
190: ok 22014
190: ok 22015
190: ok 22016
190: ok 22017
190: ok 22018
190: ok 22019
190: ok 22020
190: ok 22021
190: ok 22022
190: ok 22023
190: ok 22024
190: ok 22025
190: ok 22026
190: ok 22027
190: ok 22028
190: ok 22029
190: ok 22030
190: ok 22031
190: ok 22032
190: ok 22033
190: ok 22034
190: ok 22035
190: ok 22036
190: ok 22037
190: ok 22038
190: ok 22039
190: ok 22040
190: ok 22041
190: ok 22042
190: ok 22043
190: ok 22044
190: ok 22045
190: ok 22046
190: ok 22047
190: ok 22048
190: ok 22049
190: ok 22050
190: ok 22051
190: ok 22052
190: ok 22053
190: ok 22054
190: ok 22055
190: ok 22056
190: ok 22057
190: ok 22058
190: ok 22059
190: ok 22060
190: ok 22061
190: ok 22062
190: ok 22063
190: ok 22064
190: ok 22065
190: ok 22066
190: ok 22067
190: ok 22068
190: ok 22069
190: ok 22070
190: ok 22071
190: ok 22072
190: ok 22073
190: ok 22074
190: ok 22075
190: ok 22076
190: ok 22077
190: ok 22078
190: ok 22079
190: ok 22080
190: ok 22081
190: ok 22082
190: ok 22083
190: ok 22084
190: ok 22085
190: ok 22086
190: ok 22087
190: ok 22088
190: ok 22089
190: ok 22090
190: ok 22091
190: ok 22092
190: ok 22093
190: ok 22094
190: ok 22095
190: ok 22096
190: ok 22097
190: ok 22098
190: ok 22099
190: ok 22100
190: ok 22101
190: ok 22102
190: ok 22103
190: ok 22104
190: ok 22105
190: ok 22106
190: ok 22107
190: ok 22108
190: ok 22109
190: ok 22110
190: ok 22111
190: ok 22112
190: ok 22113
190: ok 22114
190: ok 22115
190: ok 22116
190: ok 22117
190: ok 22118
190: ok 22119
190: ok 22120
190: ok 22121
190: ok 22122
190: ok 22123
190: ok 22124
190: ok 22125
190: ok 22126
190: ok 22127
190: ok 22128
190: ok 22129
190: ok 22130
190: ok 22131
190: ok 22132
190: ok 22133
190: ok 22134
190: ok 22135
190: ok 22136
190: ok 22137
190: ok 22138
190: ok 22139
190: ok 22140
190: ok 22141
190: ok 22142
190: ok 22143
190: ok 22144
190: ok 22145
190: ok 22146
190: ok 22147
190: ok 22148
190: ok 22149
190: ok 22150
190: ok 22151
190: ok 22152
190: ok 22153
190: ok 22154
190: ok 22155
190: ok 22156
190: ok 22157
190: ok 22158
190: ok 22159
190: ok 22160
190: ok 22161
190: ok 22162
190: ok 22163
190: ok 22164
190: ok 22165
190: ok 22166
190: ok 22167
190: ok 22168
190: ok 22169
190: ok 22170
190: ok 22171
190: ok 22172
190: ok 22173
190: ok 22174
190: ok 22175
190: ok 22176
190: ok 22177
190: ok 22178
190: ok 22179
190: ok 22180
190: ok 22181
190: ok 22182
190: ok 22183
190: ok 22184
190: ok 22185
190: ok 22186
190: ok 22187
190: ok 22188
190: ok 22189
190: ok 22190
190: ok 22191
190: ok 22192
190: ok 22193
190: ok 22194
190: ok 22195
190: ok 22196
190: ok 22197
190: ok 22198
190: ok 22199
190: ok 22200
190: ok 22201
190: ok 22202
190: ok 22203
190: ok 22204
190: ok 22205
190: ok 22206
190: ok 22207
190: ok 22208
190: ok 22209
190: ok 22210
190: ok 22211
190: ok 22212
190: ok 22213
190: ok 22214
190: ok 22215
190: ok 22216
190: ok 22217
190: ok 22218
190: ok 22219
190: ok 22220
190: ok 22221
190: ok 22222
190: ok 22223
190: ok 22224
190: ok 22225
190: ok 22226
190: ok 22227
190: ok 22228
190: ok 22229
190: ok 22230
190: ok 22231
190: ok 22232
190: ok 22233
190: ok 22234
190: ok 22235
190: ok 22236
190: ok 22237
190: ok 22238
190: ok 22239
190: ok 22240
190: ok 22241
190: ok 22242
190: ok 22243
190: ok 22244
190: ok 22245
190: ok 22246
190: ok 22247
190: ok 22248
190: ok 22249
190: ok 22250
190: ok 22251
190: ok 22252
190: ok 22253
190: ok 22254
190: ok 22255
190: ok 22256
190: ok 22257
190: ok 22258
190: ok 22259
190: ok 22260
190: ok 22261
190: ok 22262
190: ok 22263
190: ok 22264
190: ok 22265
190: ok 22266
190: ok 22267
190: ok 22268
190: ok 22269
190: ok 22270
190: ok 22271
190: ok 22272
190: ok 22273
190: ok 22274
190: ok 22275
190: ok 22276
190: ok 22277
190: ok 22278
190: ok 22279
190: ok 22280
190: ok 22281
190: ok 22282
190: ok 22283
190: ok 22284
190: ok 22285
190: ok 22286
190: ok 22287
190: ok 22288
190: ok 22289
190: ok 22290
190: ok 22291
190: ok 22292
190: ok 22293
190: ok 22294
190: ok 22295
190: ok 22296
190: ok 22297
190: ok 22298
190: ok 22299
190: ok 22300
190: ok 22301
190: ok 22302
190: ok 22303
190: ok 22304
190: ok 22305
190: ok 22306
190: ok 22307
190: ok 22308
190: ok 22309
190: ok 22310
190: ok 22311
190: ok 22312
190: ok 22313
190: ok 22314
190: ok 22315
190: ok 22316
190: ok 22317
190: ok 22318
190: ok 22319
190: ok 22320
190: ok 22321
190: ok 22322
190: ok 22323
190: ok 22324
190: ok 22325
190: ok 22326
190: ok 22327
190: ok 22328
190: ok 22329
190: ok 22330
190: ok 22331
190: ok 22332
190: ok 22333
190: ok 22334
190: ok 22335
190: ok 22336
190: ok 22337
190: ok 22338
190: ok 22339
190: ok 22340
190: ok 22341
190: ok 22342
190: ok 22343
190: ok 22344
190: ok 22345
190: ok 22346
190: ok 22347
190: ok 22348
190: ok 22349
190: ok 22350
190: ok 22351
190: ok 22352
190: ok 22353
190: ok 22354
190: ok 22355
190: ok 22356
190: ok 22357
190: ok 22358
190: ok 22359
190: ok 22360
190: ok 22361
190: ok 22362
190: ok 22363
190: ok 22364
190: ok 22365
190: ok 22366
190: ok 22367
190: ok 22368
190: ok 22369
190: ok 22370
190: ok 22371
190: ok 22372
190: ok 22373
190: ok 22374
190: ok 22375
190: ok 22376
190: ok 22377
190: ok 22378
190: ok 22379
190: ok 22380
190: ok 22381
190: ok 22382
190: ok 22383
190: ok 22384
190: ok 22385
190: ok 22386
190: ok 22387
190: ok 22388
190: ok 22389
190: ok 22390
190: ok 22391
190: ok 22392
190: ok 22393
190: ok 22394
190: ok 22395
190: ok 22396
190: ok 22397
190: ok 22398
190: ok 22399
190: ok 22400
190: ok 22401
190: ok 22402
190: ok 22403
190: ok 22404
190: ok 22405
190: ok 22406
190: ok 22407
190: ok 22408
190: ok 22409
190: ok 22410
190: ok 22411
190: ok 22412
190: ok 22413
190: ok 22414
190: ok 22415
190: ok 22416
190: ok 22417
190: ok 22418
190: ok 22419
190: ok 22420
190: ok 22421
190: ok 22422
190: ok 22423
190: ok 22424
190: ok 22425
190: ok 22426
190: ok 22427
190: ok 22428
190: ok 22429
190: ok 22430
190: ok 22431
190: ok 22432
190: ok 22433
190: ok 22434
190: ok 22435
190: ok 22436
190: ok 22437
190: ok 22438
190: ok 22439
190: ok 22440
190: ok 22441
190: ok 22442
190: ok 22443
190: ok 22444
190: ok 22445
190: ok 22446
190: ok 22447
190: ok 22448
190: ok 22449
190: ok 22450
190: ok 22451
190: ok 22452
190: ok 22453
190: ok 22454
190: ok 22455
190: ok 22456
190: ok 22457
190: ok 22458
190: ok 22459
190: ok 22460
190: ok 22461
190: ok 22462
190: ok 22463
190: ok 22464
190: ok 22465
190: ok 22466
190: ok 22467
190: ok 22468
190: ok 22469
190: ok 22470
190: ok 22471
190: ok 22472
190: ok 22473
190: ok 22474
190: ok 22475
190: ok 22476
190: ok 22477
190: ok 22478
190: ok 22479
190: ok 22480
190: ok 22481
190: ok 22482
190: ok 22483
190: ok 22484
190: ok 22485
190: ok 22486
190: ok 22487
190: ok 22488
190: ok 22489
190: ok 22490
190: ok 22491
190: ok 22492
190: ok 22493
190: ok 22494
190: ok 22495
190: ok 22496
190: ok 22497
190: ok 22498
190: ok 22499
190: ok 22500
190: ok 22501
190: ok 22502
190: ok 22503
190: ok 22504
190: ok 22505
190: ok 22506
190: ok 22507
190: ok 22508
190: ok 22509
190: ok 22510
190: ok 22511
190: ok 22512
190: ok 22513
190: ok 22514
190: ok 22515
190: ok 22516
190: ok 22517
190: ok 22518
190: ok 22519
190: ok 22520
190: ok 22521
190: ok 22522
190: ok 22523
190: ok 22524
190: ok 22525
190: ok 22526
190: ok 22527
190: ok 22528
190: ok 22529
190: ok 22530
190: ok 22531
190: ok 22532
190: ok 22533
190: ok 22534
190: ok 22535
190: ok 22536
190: ok 22537
190: ok 22538
190: ok 22539
190: ok 22540
190: ok 22541
190: ok 22542
190: ok 22543
190: ok 22544
190: ok 22545
190: ok 22546
190: ok 22547
190: ok 22548
190: ok 22549
190: ok 22550
190: ok 22551
190: ok 22552
190: ok 22553
190: ok 22554
190: ok 22555
190: ok 22556
190: ok 22557
190: ok 22558
190: ok 22559
190: ok 22560
190: ok 22561
190: ok 22562
190: ok 22563
190: ok 22564
190: ok 22565
190: ok 22566
190: ok 22567
190: ok 22568
190: ok 22569
190: ok 22570
190: ok 22571
190: ok 22572
190: ok 22573
190: ok 22574
190: ok 22575
190: ok 22576
190: ok 22577
190: ok 22578
190: ok 22579
190: ok 22580
190: ok 22581
190: ok 22582
190: ok 22583
190: ok 22584
190: ok 22585
190: ok 22586
190: ok 22587
190: ok 22588
190: ok 22589
190: ok 22590
190: ok 22591
190: ok 22592
190: ok 22593
190: ok 22594
190: ok 22595
190: ok 22596
190: ok 22597
190: ok 22598
190: ok 22599
190: ok 22600
190: ok 22601
190: ok 22602
190: ok 22603
190: ok 22604
190: ok 22605
190: ok 22606
190: ok 22607
190: ok 22608
190: ok 22609
190: ok 22610
190: ok 22611
190: ok 22612
190: ok 22613
190: ok 22614
190: ok 22615
190: ok 22616
190: ok 22617
190: ok 22618
190: ok 22619
190: ok 22620
190: ok 22621
190: ok 22622
190: ok 22623
190: ok 22624
190: ok 22625
190: ok 22626
190: ok 22627
190: ok 22628
190: ok 22629
190: ok 22630
190: ok 22631
190: ok 22632
190: ok 22633
190: ok 22634
190: ok 22635
190: ok 22636
190: ok 22637
190: ok 22638
190: ok 22639
190: ok 22640
190: ok 22641
190: ok 22642
190: ok 22643
190: ok 22644
190: ok 22645
190: ok 22646
190: ok 22647
190: ok 22648
190: ok 22649
190: ok 22650
190: ok 22651
190: ok 22652
190: ok 22653
190: ok 22654
190: ok 22655
190: ok 22656
190: ok 22657
190: ok 22658
190: ok 22659
190: ok 22660
190: ok 22661
190: ok 22662
190: ok 22663
190: ok 22664
190: ok 22665
190: ok 22666
190: ok 22667
190: ok 22668
190: ok 22669
190: ok 22670
190: ok 22671
190: ok 22672
190: ok 22673
190: ok 22674
190: ok 22675
190: ok 22676
190: ok 22677
190: ok 22678
190: ok 22679
190: ok 22680
190: ok 22681
190: ok 22682
190: ok 22683
190: ok 22684
190: ok 22685
190: ok 22686
190: ok 22687
190: ok 22688
190: ok 22689
190: ok 22690
190: ok 22691
190: ok 22692
190: ok 22693
190: ok 22694
190: ok 22695
190: ok 22696
190: ok 22697
190: ok 22698
190: ok 22699
190: ok 22700
190: ok 22701
190: ok 22702
190: ok 22703
190: ok 22704
190: ok 22705
190: ok 22706
190: ok 22707
190: ok 22708
190: ok 22709
190: ok 22710
190: ok 22711
190: ok 22712
190: ok 22713
190: ok 22714
190: ok 22715
190: ok 22716
190: ok 22717
190: ok 22718
190: ok 22719
190: ok 22720
190: ok 22721
190: ok 22722
190: ok 22723
190: ok 22724
190: ok 22725
190: ok 22726
190: ok 22727
190: ok 22728
190: ok 22729
190: ok 22730
190: ok 22731
190: ok 22732
190: ok 22733
190: ok 22734
190: ok 22735
190: ok 22736
190: ok 22737
190: ok 22738
190: ok 22739
190: ok 22740
190: ok 22741
190: ok 22742
190: ok 22743
190: ok 22744
190: ok 22745
190: ok 22746
190: ok 22747
190: ok 22748
190: ok 22749
190: ok 22750
190: ok 22751
190: ok 22752
190: ok 22753
190: ok 22754
190: ok 22755
190: ok 22756
190: ok 22757
190: ok 22758
190: ok 22759
190: ok 22760
190: ok 22761
190: ok 22762
190: ok 22763
190: ok 22764
190: ok 22765
190: ok 22766
190: ok 22767
190: ok 22768
190: ok 22769
190: ok 22770
190: ok 22771
190: ok 22772
190: ok 22773
190: ok 22774
190: ok 22775
190: ok 22776
190: ok 22777
190: ok 22778
190: ok 22779
190: ok 22780
190: ok 22781
190: ok 22782
190: ok 22783
190: ok 22784
190: ok 22785
190: ok 22786
190: ok 22787
190: ok 22788
190: ok 22789
190: ok 22790
190: ok 22791
190: ok 22792
190: ok 22793
190: ok 22794
190: ok 22795
190: ok 22796
190: ok 22797
190: ok 22798
190: ok 22799
190: ok 22800
190: ok 22801
190: ok 22802
190: ok 22803
190: ok 22804
190: ok 22805
190: ok 22806
190: ok 22807
190: ok 22808
190: ok 22809
190: ok 22810
190: ok 22811
190: ok 22812
190: ok 22813
190: ok 22814
190: ok 22815
190: ok 22816
190: ok 22817
190: ok 22818
190: ok 22819
190: ok 22820
190: ok 22821
190: ok 22822
190: ok 22823
190: ok 22824
190: ok 22825
190: ok 22826
190: ok 22827
190: ok 22828
190: ok 22829
190: ok 22830
190: ok 22831
190: ok 22832
190: ok 22833
190: ok 22834
190: ok 22835
190: ok 22836
190: ok 22837
190: ok 22838
190: ok 22839
190: ok 22840
190: ok 22841
190: ok 22842
190: ok 22843
190: ok 22844
190: ok 22845
190: ok 22846
190: ok 22847
190: ok 22848
190: ok 22849
190: ok 22850
190: ok 22851
190: ok 22852
190: ok 22853
190: ok 22854
190: ok 22855
190: ok 22856
190: ok 22857
190: ok 22858
190: ok 22859
190: ok 22860
190: ok 22861
190: ok 22862
190: ok 22863
190: ok 22864
190: ok 22865
190: ok 22866
190: ok 22867
190: ok 22868
190: ok 22869
190: ok 22870
190: ok 22871
190: ok 22872
190: ok 22873
190: ok 22874
190: ok 22875
190: ok 22876
190: ok 22877
190: ok 22878
190: ok 22879
190: ok 22880
190: ok 22881
190: ok 22882
190: ok 22883
190: ok 22884
190: ok 22885
190: ok 22886
190: ok 22887
190: ok 22888
190: ok 22889
190: ok 22890
190: ok 22891
190: ok 22892
190: ok 22893
190: ok 22894
190: ok 22895
190: ok 22896
190: ok 22897
190: ok 22898
190: ok 22899
190: ok 22900
190: ok 22901
190: ok 22902
190: ok 22903
190: ok 22904
190: ok 22905
190: ok 22906
190: ok 22907
190: ok 22908
190: ok 22909
190: ok 22910
190: ok 22911
190: ok 22912
190: ok 22913
190: ok 22914
190: ok 22915
190: ok 22916
190: ok 22917
190: ok 22918
190: ok 22919
190: ok 22920
190: ok 22921
190: ok 22922
190: ok 22923
190: ok 22924
190: ok 22925
190: ok 22926
190: ok 22927
190: ok 22928
190: ok 22929
190: ok 22930
190: ok 22931
190: ok 22932
190: ok 22933
190: ok 22934
190: ok 22935
190: ok 22936
190: ok 22937
190: ok 22938
190: ok 22939
190: ok 22940
190: ok 22941
190: ok 22942
190: ok 22943
190: ok 22944
190: ok 22945
190: ok 22946
190: ok 22947
190: ok 22948
190: ok 22949
190: ok 22950
190: ok 22951
190: ok 22952
190: ok 22953
190: ok 22954
190: ok 22955
190: ok 22956
190: ok 22957
190: ok 22958
190: ok 22959
190: ok 22960
190: ok 22961
190: ok 22962
190: ok 22963
190: ok 22964
190: ok 22965
190: ok 22966
190: ok 22967
190: ok 22968
190: ok 22969
190: ok 22970
190: ok 22971
190: ok 22972
190: ok 22973
190: ok 22974
190: ok 22975
190: ok 22976
190: ok 22977
190: ok 22978
190: ok 22979
190: ok 22980
190: ok 22981
190: ok 22982
190: ok 22983
190: ok 22984
190: ok 22985
190: ok 22986
190: ok 22987
190: ok 22988
190: ok 22989
190: ok 22990
190: ok 22991
190: ok 22992
190: ok 22993
190: ok 22994
190: ok 22995
190: ok 22996
190: ok 22997
190: ok 22998
190: ok 22999
190: ok 23000
190: ok 23001
190: ok 23002
190: ok 23003
190: ok 23004
190: ok 23005
190: ok 23006
190: ok 23007
190: ok 23008
190: ok 23009
190: ok 23010
190: ok 23011
190: ok 23012
190: ok 23013
190: ok 23014
190: ok 23015
190: ok 23016
190: ok 23017
190: ok 23018
190: ok 23019
190: ok 23020
190: ok 23021
190: ok 23022
190: ok 23023
190: ok 23024
190: ok 23025
190: ok 23026
190: ok 23027
190: ok 23028
190: ok 23029
190: ok 23030
190: ok 23031
190: ok 23032
190: ok 23033
190: ok 23034
190: ok 23035
190: ok 23036
190: ok 23037
190: ok 23038
190: ok 23039
190: ok 23040
190: ok 23041
190: ok 23042
190: ok 23043
190: ok 23044
190: ok 23045
190: ok 23046
190: ok 23047
190: ok 23048
190: ok 23049
190: ok 23050
190: ok 23051
190: ok 23052
190: ok 23053
190: ok 23054
190: ok 23055
190: ok 23056
190: ok 23057
190: ok 23058
190: ok 23059
190: ok 23060
190: ok 23061
190: ok 23062
190: ok 23063
190: ok 23064
190: ok 23065
190: ok 23066
190: ok 23067
190: ok 23068
190: ok 23069
190: ok 23070
190: ok 23071
190: ok 23072
190: ok 23073
190: ok 23074
190: ok 23075
190: ok 23076
190: ok 23077
190: ok 23078
190: ok 23079
190: ok 23080
190: ok 23081
190: ok 23082
190: ok 23083
190: ok 23084
190: ok 23085
190: ok 23086
190: ok 23087
190: ok 23088
190: ok 23089
190: ok 23090
190: ok 23091
190: ok 23092
190: ok 23093
190: ok 23094
190: ok 23095
190: ok 23096
190: ok 23097
190: ok 23098
190: ok 23099
190: ok 23100
190: ok 23101
190: ok 23102
190: ok 23103
190: ok 23104
190: ok 23105
190: ok 23106
190: ok 23107
190: ok 23108
190: ok 23109
190: ok 23110
190: ok 23111
190: ok 23112
190: ok 23113
190: ok 23114
190: ok 23115
190: ok 23116
190: ok 23117
190: ok 23118
190: ok 23119
190: ok 23120
190: ok 23121
190: ok 23122
190: ok 23123
190: ok 23124
190: ok 23125
190: ok 23126
190: ok 23127
190: ok 23128
190: ok 23129
190: ok 23130
190: ok 23131
190: ok 23132
190: ok 23133
190: ok 23134
190: ok 23135
190: ok 23136
190: ok 23137
190: ok 23138
190: ok 23139
190: ok 23140
190: ok 23141
190: ok 23142
190: ok 23143
190: ok 23144
190: ok 23145
190: ok 23146
190: ok 23147
190: ok 23148
190: ok 23149
190: ok 23150
190: ok 23151
190: ok 23152
190: ok 23153
190: ok 23154
190: ok 23155
190: ok 23156
190: ok 23157
190: ok 23158
190: ok 23159
190: ok 23160
190: ok 23161
190: ok 23162
190: ok 23163
190: ok 23164
190: ok 23165
190: ok 23166
190: ok 23167
190: ok 23168
190: ok 23169
190: ok 23170
190: ok 23171
190: ok 23172
190: ok 23173
190: ok 23174
190: ok 23175
190: ok 23176
190: ok 23177
190: ok 23178
190: ok 23179
190: ok 23180
190: ok 23181
190: ok 23182
190: ok 23183
190: ok 23184
190: ok 23185
190: ok 23186
190: ok 23187
190: ok 23188
190: ok 23189
190: ok 23190
190: ok 23191
190: ok 23192
190: ok 23193
190: ok 23194
190: ok 23195
190: ok 23196
190: ok 23197
190: ok 23198
190: ok 23199
190: ok 23200
190: ok 23201
190: ok 23202
190: ok 23203
190: ok 23204
190: ok 23205
190: ok 23206
190: ok 23207
190: ok 23208
190: ok 23209
190: ok 23210
190: ok 23211
190: ok 23212
190: ok 23213
190: ok 23214
190: ok 23215
190: ok 23216
190: ok 23217
190: ok 23218
190: ok 23219
190: ok 23220
190: ok 23221
190: ok 23222
190: ok 23223
190: ok 23224
190: ok 23225
190: ok 23226
190: ok 23227
190: ok 23228
190: ok 23229
190: ok 23230
190: ok 23231
190: ok 23232
190: ok 23233
190: ok 23234
190: ok 23235
190: ok 23236
190: ok 23237
190: ok 23238
190: ok 23239
190: ok 23240
190: ok 23241
190: ok 23242
190: ok 23243
190: ok 23244
190: ok 23245
190: ok 23246
190: ok 23247
190: ok 23248
190: ok 23249
190: ok 23250
190: ok 23251
190: ok 23252
190: ok 23253
190: ok 23254
190: ok 23255
190: ok 23256
190: ok 23257
190: ok 23258
190: ok 23259
190: ok 23260
190: ok 23261
190: ok 23262
190: ok 23263
190: ok 23264
190: ok 23265
190: ok 23266
190: ok 23267
190: ok 23268
190: ok 23269
190: ok 23270
190: ok 23271
190: ok 23272
190: ok 23273
190: ok 23274
190: ok 23275
190: ok 23276
190: ok 23277
190: ok 23278
190: ok 23279
190: ok 23280
190: ok 23281
190: ok 23282
190: ok 23283
190: ok 23284
190: ok 23285
190: ok 23286
190: ok 23287
190: ok 23288
190: ok 23289
190: ok 23290
190: ok 23291
190: ok 23292
190: ok 23293
190: ok 23294
190: ok 23295
190: ok 23296
190: ok 23297
190: ok 23298
190: ok 23299
190: ok 23300
190: ok 23301
190: ok 23302
190: ok 23303
190: ok 23304
190: ok 23305
190: ok 23306
190: ok 23307
190: ok 23308
190: ok 23309
190: ok 23310
190: ok 23311
190: ok 23312
190: ok 23313
190: ok 23314
190: ok 23315
190: ok 23316
190: ok 23317
190: ok 23318
190: ok 23319
190: ok 23320
190: ok 23321
190: ok 23322
190: ok 23323
190: ok 23324
190: ok 23325
190: ok 23326
190: ok 23327
190: ok 23328
190: ok 23329
190: ok 23330
190: ok 23331
190: ok 23332
190: ok 23333
190: ok 23334
190: ok 23335
190: ok 23336
190: ok 23337
190: ok 23338
190: ok 23339
190: ok 23340
190: ok 23341
190: ok 23342
190: ok 23343
190: ok 23344
190: ok 23345
190: ok 23346
190: ok 23347
190: ok 23348
190: ok 23349
190: ok 23350
190: ok 23351
190: ok 23352
190: ok 23353
190: ok 23354
190: ok 23355
190: ok 23356
190: ok 23357
190: ok 23358
190: ok 23359
190: ok 23360
190: ok 23361
190: ok 23362
190: ok 23363
190: ok 23364
190: ok 23365
190: ok 23366
190: ok 23367
190: ok 23368
190: ok 23369
190: ok 23370
190: ok 23371
190: ok 23372
190: ok 23373
190: ok 23374
190: ok 23375
190: ok 23376
190: ok 23377
190: ok 23378
190: ok 23379
190: ok 23380
190: ok 23381
190: ok 23382
190: ok 23383
190: ok 23384
190: ok 23385
190: ok 23386
190: ok 23387
190: ok 23388
190: ok 23389
190: ok 23390
190: ok 23391
190: ok 23392
190: ok 23393
190: ok 23394
190: ok 23395
190: ok 23396
190: ok 23397
190: ok 23398
190: ok 23399
190: ok 23400
190: ok 23401
190: ok 23402
190: ok 23403
190: ok 23404
190: ok 23405
190: ok 23406
190: ok 23407
190: ok 23408
190: ok 23409
190: ok 23410
190: ok 23411
190: ok 23412
190: ok 23413
190: ok 23414
190: ok 23415
190: ok 23416
190: ok 23417
190: ok 23418
190: ok 23419
190: ok 23420
190: ok 23421
190: ok 23422
190: ok 23423
190: ok 23424
190: ok 23425
190: ok 23426
190: ok 23427
190: ok 23428
190: ok 23429
190: ok 23430
190: ok 23431
190: ok 23432
190: ok 23433
190: ok 23434
190: ok 23435
190: ok 23436
190: ok 23437
190: ok 23438
190: ok 23439
190: ok 23440
190: ok 23441
190: ok 23442
190: ok 23443
190: ok 23444
190: ok 23445
190: ok 23446
190: ok 23447
190: ok 23448
190: ok 23449
190: ok 23450
190: ok 23451
190: ok 23452
190: ok 23453
190: ok 23454
190: ok 23455
190: ok 23456
190: ok 23457
190: ok 23458
190: ok 23459
190: ok 23460
190: ok 23461
190: ok 23462
190: ok 23463
190: ok 23464
190: ok 23465
190: ok 23466
190: ok 23467
190: ok 23468
190: ok 23469
190: ok 23470
190: ok 23471
190: ok 23472
190: ok 23473
190: ok 23474
190: ok 23475
190: ok 23476
190: ok 23477
190: ok 23478
190: ok 23479
190: ok 23480
190: ok 23481
190: ok 23482
190: ok 23483
190: ok 23484
190: ok 23485
190: ok 23486
190: ok 23487
190: ok 23488
190: ok 23489
190: ok 23490
190: ok 23491
190: ok 23492
190: ok 23493
190: ok 23494
190: ok 23495
190: ok 23496
190: ok 23497
190: ok 23498
190: ok 23499
190: ok 23500
190: ok 23501
190: ok 23502
190: ok 23503
190: ok 23504
190: ok 23505
190: ok 23506
190: ok 23507
190: ok 23508
190: ok 23509
190: ok 23510
190: ok 23511
190: ok 23512
190: ok 23513
190: ok 23514
190: ok 23515
190: ok 23516
190: ok 23517
190: ok 23518
190: ok 23519
190: ok 23520
190: ok 23521
190: ok 23522
190: ok 23523
190: ok 23524
190: ok 23525
190: ok 23526
190: ok 23527
190: ok 23528
190: ok 23529
190: ok 23530
190: ok 23531
190: ok 23532
190: ok 23533
190: ok 23534
190: ok 23535
190: ok 23536
190: ok 23537
190: ok 23538
190: ok 23539
190: ok 23540
190: ok 23541
190: ok 23542
190: ok 23543
190: ok 23544
190: ok 23545
190: ok 23546
190: ok 23547
190: ok 23548
190: ok 23549
190: ok 23550
190: ok 23551
190: ok 23552
190: ok 23553
190: ok 23554
190: ok 23555
190: ok 23556
190: ok 23557
190: ok 23558
190: ok 23559
190: ok 23560
190: ok 23561
190: ok 23562
190: ok 23563
190: ok 23564
190: ok 23565
190: ok 23566
190: ok 23567
190: ok 23568
190: ok 23569
190: ok 23570
190: ok 23571
190: ok 23572
190: ok 23573
190: ok 23574
190: ok 23575
190: ok 23576
190: ok 23577
190: ok 23578
190: ok 23579
190: ok 23580
190: ok 23581
190: ok 23582
190: ok 23583
190: ok 23584
190: ok 23585
190: ok 23586
190: ok 23587
190: ok 23588
190: ok 23589
190: ok 23590
190: ok 23591
190: ok 23592
190: ok 23593
190: ok 23594
190: ok 23595
190: ok 23596
190: ok 23597
190: ok 23598
190: ok 23599
190: ok 23600
190: ok 23601
190: ok 23602
190: ok 23603
190: ok 23604
190: ok 23605
190: ok 23606
190: ok 23607
190: ok 23608
190: ok 23609
190: ok 23610
190: ok 23611
190: ok 23612
190: ok 23613
190: ok 23614
190: ok 23615
190: ok 23616
190: ok 23617
190: ok 23618
190: ok 23619
190: ok 23620
190: ok 23621
190: ok 23622
190: ok 23623
190: ok 23624
190: ok 23625
190: ok 23626
190: ok 23627
190: ok 23628
190: ok 23629
190: ok 23630
190: ok 23631
190: ok 23632
190: ok 23633
190: ok 23634
190: ok 23635
190: ok 23636
190: ok 23637
190: ok 23638
190: ok 23639
190: ok 23640
190: ok 23641
190: ok 23642
190: ok 23643
190: ok 23644
190: ok 23645
190: ok 23646
190: ok 23647
190: ok 23648
190: ok 23649
190: ok 23650
190: ok 23651
190: ok 23652
190: ok 23653
190: ok 23654
190: ok 23655
190: ok 23656
190: ok 23657
190: ok 23658
190: ok 23659
190: ok 23660
190: ok 23661
190: ok 23662
190: ok 23663
190: ok 23664
190: ok 23665
190: ok 23666
190: ok 23667
190: ok 23668
190: ok 23669
190: ok 23670
190: ok 23671
190: ok 23672
190: ok 23673
190: ok 23674
190: ok 23675
190: ok 23676
190: ok 23677
190: ok 23678
190: ok 23679
190: ok 23680
190: ok 23681
190: ok 23682
190: ok 23683
190: ok 23684
190: ok 23685
190: ok 23686
190: ok 23687
190: ok 23688
190: ok 23689
190: ok 23690
190: ok 23691
190: ok 23692
190: ok 23693
190: ok 23694
190: ok 23695
190: ok 23696
190: ok 23697
190: ok 23698
190: ok 23699
190: ok 23700
190: ok 23701
190: ok 23702
190: ok 23703
190: ok 23704
190: ok 23705
190: ok 23706
190: ok 23707
190: ok 23708
190: ok 23709
190: ok 23710
190: ok 23711
190: ok 23712
190: ok 23713
190: ok 23714
190: ok 23715
190: ok 23716
190: ok 23717
190: ok 23718
190: ok 23719
190: ok 23720
190: ok 23721
190: ok 23722
190: ok 23723
190: ok 23724
190: ok 23725
190: ok 23726
190: ok 23727
190: ok 23728
190: ok 23729
190: ok 23730
190: ok 23731
190: ok 23732
190: ok 23733
190: ok 23734
190: ok 23735
190: ok 23736
190: ok 23737
190: ok 23738
190: ok 23739
190: ok 23740
190: ok 23741
190: ok 23742
190: ok 23743
190: ok 23744
190: ok 23745
190: ok 23746
190: ok 23747
190: ok 23748
190: ok 23749
190: ok 23750
190: ok 23751
190: ok 23752
190: ok 23753
190: ok 23754
190: ok 23755
190: ok 23756
190: ok 23757
190: ok 23758
190: ok 23759
190: ok 23760
190: ok 23761
190: ok 23762
190: ok 23763
190: ok 23764
190: ok 23765
190: ok 23766
190: ok 23767
190: ok 23768
190: ok 23769
190: ok 23770
190: ok 23771
190: ok 23772
190: ok 23773
190: ok 23774
190: ok 23775
190: ok 23776
190: ok 23777
190: ok 23778
190: ok 23779
190: ok 23780
190: ok 23781
190: ok 23782
190: ok 23783
190: ok 23784
190: ok 23785
190: ok 23786
190: ok 23787
190: ok 23788
190: ok 23789
190: ok 23790
190: ok 23791
190: ok 23792
190: ok 23793
190: ok 23794
190: ok 23795
190: ok 23796
190: ok 23797
190: ok 23798
190: ok 23799
190: ok 23800
190: ok 23801
190: ok 23802
190: ok 23803
190: ok 23804
190: ok 23805
190: ok 23806
190: ok 23807
190: ok 23808
190: ok 23809
190: ok 23810
190: ok 23811
190: ok 23812
190: ok 23813
190: ok 23814
190: ok 23815
190: ok 23816
190: ok 23817
190: ok 23818
190: ok 23819
190: ok 23820
190: ok 23821
190: ok 23822
190: ok 23823
190: ok 23824
190: ok 23825
190: ok 23826
190: ok 23827
190: ok 23828
190: ok 23829
190: ok 23830
190: ok 23831
190: ok 23832
190: ok 23833
190: ok 23834
190: ok 23835
190: ok 23836
190: ok 23837
190: ok 23838
190: ok 23839
190: ok 23840
190: ok 23841
190: ok 23842
190: ok 23843
190: ok 23844
190: ok 23845
190: ok 23846
190: ok 23847
190: ok 23848
190: ok 23849
190: ok 23850
190: ok 23851
190: ok 23852
190: ok 23853
190: ok 23854
190: ok 23855
190: ok 23856
190: ok 23857
190: ok 23858
190: ok 23859
190: ok 23860
190: ok 23861
190: ok 23862
190: ok 23863
190: ok 23864
190: ok 23865
190: ok 23866
190: ok 23867
190: ok 23868
190: ok 23869
190: ok 23870
190: ok 23871
190: ok 23872
190: ok 23873
190: ok 23874
190: ok 23875
190: ok 23876
190: ok 23877
190: ok 23878
190: ok 23879
190: ok 23880
190: ok 23881
190: ok 23882
190: ok 23883
190: ok 23884
190: ok 23885
190: ok 23886
190: ok 23887
190: ok 23888
190: ok 23889
190: ok 23890
190: ok 23891
190: ok 23892
190: ok 23893
190: ok 23894
190: ok 23895
190: ok 23896
190: ok 23897
190: ok 23898
190: ok 23899
190: ok 23900
190: ok 23901
190: ok 23902
190: ok 23903
190: ok 23904
190: ok 23905
190: ok 23906
190: ok 23907
190: ok 23908
190: ok 23909
190: ok 23910
190: ok 23911
190: ok 23912
190: ok 23913
190: ok 23914
190: ok 23915
190: ok 23916
190: ok 23917
190: ok 23918
190: ok 23919
190: ok 23920
190: ok 23921
190: ok 23922
190: ok 23923
190: ok 23924
190: ok 23925
190: ok 23926
190: ok 23927
190: ok 23928
190: ok 23929
190: ok 23930
190: ok 23931
190: ok 23932
190: ok 23933
190: ok 23934
190: ok 23935
190: ok 23936
190: ok 23937
190: ok 23938
190: ok 23939
190: ok 23940
190: ok 23941
190: ok 23942
190: ok 23943
190: ok 23944
190: ok 23945
190: ok 23946
190: ok 23947
190: ok 23948
190: ok 23949
190: ok 23950
190: ok 23951
190: ok 23952
190: ok 23953
190: ok 23954
190: ok 23955
190: ok 23956
190: ok 23957
190: ok 23958
190: ok 23959
190: ok 23960
190: ok 23961
190: ok 23962
190: ok 23963
190: ok 23964
190: ok 23965
190: ok 23966
190: ok 23967
190: ok 23968
190: ok 23969
190: ok 23970
190: ok 23971
190: ok 23972
190: ok 23973
190: ok 23974
190: ok 23975
190: ok 23976
190: ok 23977
190: ok 23978
190: ok 23979
190: ok 23980
190: ok 23981
190: ok 23982
190: ok 23983
190: ok 23984
190: ok 23985
190: ok 23986
190: ok 23987
190: ok 23988
190: ok 23989
190: ok 23990
190: ok 23991
190: ok 23992
190: ok 23993
190: ok 23994
190: ok 23995
190: ok 23996
190: ok 23997
190: ok 23998
190: ok 23999
190: ok 24000
190: ok 24001
190: ok 24002
190: ok 24003
190: ok 24004
190: ok 24005
190: ok 24006
190: ok 24007
190: ok 24008
190: ok 24009
190: ok 24010
190: ok 24011
190: ok 24012
190: ok 24013
190: ok 24014
190: ok 24015
190: ok 24016
190: ok 24017
190: ok 24018
190: ok 24019
190: ok 24020
190: ok 24021
190: ok 24022
190: ok 24023
190: ok 24024
190: ok 24025
190: ok 24026
190: ok 24027
190: ok 24028
190: ok 24029
190: ok 24030
190: ok 24031
190: ok 24032
190: ok 24033
190: ok 24034
190: ok 24035
190: ok 24036
190: ok 24037
190: ok 24038
190: ok 24039
190: ok 24040
190: ok 24041
190: ok 24042
190: ok 24043
190: ok 24044
190: ok 24045
190: ok 24046
190: ok 24047
190: ok 24048
190: ok 24049
190: ok 24050
190: ok 24051
190: ok 24052
190: ok 24053
190: ok 24054
190: ok 24055
190: ok 24056
190: ok 24057
190: ok 24058
190: ok 24059
190: ok 24060
190: ok 24061
190: ok 24062
190: ok 24063
190: ok 24064
190: ok 24065
190: ok 24066
190: ok 24067
190: ok 24068
190: ok 24069
190: ok 24070
190: ok 24071
190: ok 24072
190: ok 24073
190: ok 24074
190: ok 24075
190: ok 24076
190: ok 24077
190: ok 24078
190: ok 24079
190: ok 24080
190: ok 24081
190: ok 24082
190: ok 24083
190: ok 24084
190: ok 24085
190: ok 24086
190: ok 24087
190: ok 24088
190: ok 24089
190: ok 24090
190: ok 24091
190: ok 24092
190: ok 24093
190: ok 24094
190: ok 24095
190: ok 24096
190: ok 24097
190: ok 24098
190: ok 24099
190: ok 24100
190: ok 24101
190: ok 24102
190: ok 24103
190: ok 24104
190: ok 24105
190: ok 24106
190: ok 24107
190: ok 24108
190: ok 24109
190: ok 24110
190: ok 24111
190: ok 24112
190: ok 24113
190: ok 24114
190: ok 24115
190: ok 24116
190: ok 24117
190: ok 24118
190: ok 24119
190: ok 24120
190: ok 24121
190: ok 24122
190: ok 24123
190: ok 24124
190: ok 24125
190: ok 24126
190: ok 24127
190: ok 24128
190: ok 24129
190: ok 24130
190: ok 24131
190: ok 24132
190: ok 24133
190: ok 24134
190: ok 24135
190: ok 24136
190: ok 24137
190: ok 24138
190: ok 24139
190: ok 24140
190: ok 24141
190: ok 24142
190: ok 24143
190: ok 24144
190: ok 24145
190: ok 24146
190: ok 24147
190: ok 24148
190: ok 24149
190: ok 24150
190: ok 24151
190: ok 24152
190: ok 24153
190: ok 24154
190: ok 24155
190: ok 24156
190: ok 24157
190: ok 24158
190: ok 24159
190: ok 24160
190: ok 24161
190: ok 24162
190: ok 24163
190: ok 24164
190: ok 24165
190: ok 24166
190: ok 24167
190: ok 24168
190: ok 24169
190: ok 24170
190: ok 24171
190: ok 24172
190: ok 24173
190: ok 24174
190: ok 24175
190: ok 24176
190: ok 24177
190: ok 24178
190: ok 24179
190: ok 24180
190: ok 24181
190: ok 24182
190: ok 24183
190: ok 24184
190: ok 24185
190: ok 24186
190: ok 24187
190: ok 24188
190: ok 24189
190: ok 24190
190: ok 24191
190: ok 24192
190: ok 24193
190: ok 24194
190: ok 24195
190: ok 24196
190: ok 24197
190: ok 24198
190: ok 24199
190: ok 24200
190: ok 24201
190: ok 24202
190: ok 24203
190: ok 24204
190: ok 24205
190: ok 24206
190: ok 24207
190: ok 24208
190: ok 24209
190: ok 24210
190: ok 24211
190: ok 24212
190: ok 24213
190: ok 24214
190: ok 24215
190: ok 24216
190: ok 24217
190: ok 24218
190: ok 24219
190: ok 24220
190: ok 24221
190: ok 24222
190: ok 24223
190: ok 24224
190: ok 24225
190: ok 24226
190: ok 24227
190: ok 24228
190: ok 24229
190: ok 24230
190: ok 24231
190: ok 24232
190: ok 24233
190: ok 24234
190: ok 24235
190: ok 24236
190: ok 24237
190: ok 24238
190: ok 24239
190: ok 24240
190: ok 24241
190: ok 24242
190: ok 24243
190: ok 24244
190: ok 24245
190: ok 24246
190: ok 24247
190: ok 24248
190: ok 24249
190: ok 24250
190: ok 24251
190: ok 24252
190: ok 24253
190: ok 24254
190: ok 24255
190: ok 24256
190: ok 24257
190: ok 24258
190: ok 24259
190: ok 24260
190: ok 24261
190: ok 24262
190: ok 24263
190: ok 24264
190: ok 24265
190: ok 24266
190: ok 24267
190: ok 24268
190: ok 24269
190: ok 24270
190: ok 24271
190: ok 24272
190: ok 24273
190: ok 24274
190: ok 24275
190: ok 24276
190: ok 24277
190: ok 24278
190: ok 24279
190: ok 24280
190: ok 24281
190: ok 24282
190: ok 24283
190: ok 24284
190: ok 24285
190: ok 24286
190: ok 24287
190: ok 24288
190: ok 24289
190: ok 24290
190: ok 24291
190: ok 24292
190: ok 24293
190: ok 24294
190: ok 24295
190: ok 24296
190: ok 24297
190: ok 24298
190: ok 24299
190: ok 24300
190: ok 24301
190: ok 24302
190: ok 24303
190: ok 24304
190: ok 24305
190: ok 24306
190: ok 24307
190: ok 24308
190: ok 24309
190: ok 24310
190: ok 24311
190: ok 24312
190: ok 24313
190: ok 24314
190: ok 24315
190: ok 24316
190: ok 24317
190: ok 24318
190: ok 24319
190: ok 24320
190: ok 24321
190: ok 24322
190: ok 24323
190: ok 24324
190: ok 24325
190: ok 24326
190: ok 24327
190: ok 24328
190: ok 24329
190: ok 24330
190: ok 24331
190: ok 24332
190: ok 24333
190: ok 24334
190: ok 24335
190: ok 24336
190: ok 24337
190: ok 24338
190: ok 24339
190: ok 24340
190: ok 24341
190: ok 24342
190: ok 24343
190: ok 24344
190: ok 24345
190: ok 24346
190: ok 24347
190: ok 24348
190: ok 24349
190: ok 24350
190: ok 24351
190: ok 24352
190: ok 24353
190: ok 24354
190: ok 24355
190: ok 24356
190: ok 24357
190: ok 24358
190: ok 24359
190: ok 24360
190: ok 24361
190: ok 24362
190: ok 24363
190: ok 24364
190: ok 24365
190: ok 24366
190: ok 24367
190: ok 24368
190: ok 24369
190: ok 24370
190: ok 24371
190: ok 24372
190: ok 24373
190: ok 24374
190: ok 24375
190: ok 24376
190: ok 24377
190: ok 24378
190: ok 24379
190: ok 24380
190: ok 24381
190: ok 24382
190: ok 24383
190: ok 24384
190: ok 24385
190: ok 24386
190: ok 24387
190: ok 24388
190: ok 24389
190: ok 24390
190: ok 24391
190: ok 24392
190: ok 24393
190: ok 24394
190: ok 24395
190: ok 24396
190: ok 24397
190: ok 24398
190: ok 24399
190: ok 24400
190: ok 24401
190: ok 24402
190: ok 24403
190: ok 24404
190: ok 24405
190: ok 24406
190: ok 24407
190: ok 24408
190: ok 24409
190: ok 24410
190: ok 24411
190: ok 24412
190: ok 24413
190: ok 24414
190: ok 24415
190: ok 24416
190: ok 24417
190: ok 24418
190: ok 24419
190: ok 24420
190: ok 24421
190: ok 24422
190: ok 24423
190: ok 24424
190: ok 24425
190: ok 24426
190: ok 24427
190: ok 24428
190: ok 24429
190: ok 24430
190: ok 24431
190: ok 24432
190: ok 24433
190: ok 24434
190: ok 24435
190: ok 24436
190: ok 24437
190: ok 24438
190: ok 24439
190: ok 24440
190: ok 24441
190: ok 24442
190: ok 24443
190: ok 24444
190: ok 24445
190: ok 24446
190: ok 24447
190: ok 24448
190: ok 24449
190: ok 24450
190: ok 24451
190: ok 24452
190: ok 24453
190: ok 24454
190: ok 24455
190: ok 24456
190: ok 24457
190: ok 24458
190: ok 24459
190: ok 24460
190: ok 24461
190: ok 24462
190: ok 24463
190: ok 24464
190: ok 24465
190: ok 24466
190: ok 24467
190: ok 24468
190: ok 24469
190: ok 24470
190: ok 24471
190: ok 24472
190: ok 24473
190: ok 24474
190: ok 24475
190: ok 24476
190: ok 24477
190: ok 24478
190: ok 24479
190: ok 24480
190: ok 24481
190: ok 24482
190: ok 24483
190: ok 24484
190: ok 24485
190: ok 24486
190: ok 24487
190: ok 24488
190: ok 24489
190: ok 24490
190: ok 24491
190: ok 24492
190: ok 24493
190: ok 24494
190: ok 24495
190: ok 24496
190: ok 24497
190: ok 24498
190: ok 24499
190: ok 24500
190: ok 24501
190: ok 24502
190: ok 24503
190: ok 24504
190: ok 24505
190: ok 24506
190: ok 24507
190: ok 24508
190: ok 24509
190: ok 24510
190: ok 24511
190: ok 24512
190: ok 24513
190: ok 24514
190: ok 24515
190: ok 24516
190: ok 24517
190: ok 24518
190: ok 24519
190: ok 24520
190: ok 24521
190: ok 24522
190: ok 24523
190: ok 24524
190: ok 24525
190: ok 24526
190: ok 24527
190: ok 24528
190: ok 24529
190: ok 24530
190: ok 24531
190: ok 24532
190: ok 24533
190: ok 24534
190: ok 24535
190: ok 24536
190: ok 24537
190: ok 24538
190: ok 24539
190: ok 24540
190: ok 24541
190: ok 24542
190: ok 24543
190: ok 24544
190: ok 24545
190: ok 24546
190: ok 24547
190: ok 24548
190: ok 24549
190: ok 24550
190: ok 24551
190: ok 24552
190: ok 24553
190: ok 24554
190: ok 24555
190: ok 24556
190: ok 24557
190: ok 24558
190: ok 24559
190: ok 24560
190: ok 24561
190: ok 24562
190: ok 24563
190: ok 24564
190: ok 24565
190: ok 24566
190: ok 24567
190: ok 24568
190: ok 24569
190: ok 24570
190: ok 24571
190: ok 24572
190: ok 24573
190: ok 24574
190: ok 24575
190: ok 24576
190: ok 24577
190: ok 24578
190: ok 24579
190: ok 24580
190: ok 24581
190: ok 24582
190: ok 24583
190: ok 24584
190: ok 24585
190: ok 24586
190: ok 24587
190: ok 24588
190: ok 24589
190: ok 24590
190: ok 24591
190: ok 24592
190: ok 24593
190: ok 24594
190: ok 24595
190: ok 24596
190: ok 24597
190: ok 24598
190: ok 24599
190: ok 24600
190: ok 24601
190: ok 24602
190: ok 24603
190: ok 24604
190: ok 24605
190: ok 24606
190: ok 24607
190: ok 24608
190: ok 24609
190: ok 24610
190: ok 24611
190: ok 24612
190: ok 24613
190: ok 24614
190: ok 24615
190: ok 24616
190: ok 24617
190: ok 24618
190: ok 24619
190: ok 24620
190: ok 24621
190: ok 24622
190: ok 24623
190: ok 24624
190: ok 24625
190: ok 24626
190: ok 24627
190: ok 24628
190: ok 24629
190: ok 24630
190: ok 24631
190: ok 24632
190: ok 24633
190: ok 24634
190: ok 24635
190: ok 24636
190: ok 24637
190: ok 24638
190: ok 24639
190: ok 24640
190: ok 24641
190: ok 24642
190: ok 24643
190: ok 24644
190: ok 24645
190: ok 24646
190: ok 24647
190: ok 24648
190: ok 24649
190: ok 24650
190: ok 24651
190: ok 24652
190: ok 24653
190: ok 24654
190: ok 24655
190: ok 24656
190: ok 24657
190: ok 24658
190: ok 24659
190: ok 24660
190: ok 24661
190: ok 24662
190: ok 24663
190: ok 24664
190: ok 24665
190: ok 24666
190: ok 24667
190: ok 24668
190: ok 24669
190: ok 24670
190: ok 24671
190: ok 24672
190: ok 24673
190: ok 24674
190: ok 24675
190: ok 24676
190: ok 24677
190: ok 24678
190: ok 24679
190: ok 24680
190: ok 24681
190: ok 24682
190: ok 24683
190: ok 24684
190: ok 24685
190: ok 24686
190: ok 24687
190: ok 24688
190: ok 24689
190: ok 24690
190: ok 24691
190: ok 24692
190: ok 24693
190: ok 24694
190: ok 24695
190: ok 24696
190: ok 24697
190: ok 24698
190: ok 24699
190: ok 24700
190: ok 24701
190: ok 24702
190: ok 24703
190: ok 24704
190: ok 24705
190: ok 24706
190: ok 24707
190: ok 24708
190: ok 24709
190: ok 24710
190: ok 24711
190: ok 24712
190: ok 24713
190: ok 24714
190: ok 24715
190: ok 24716
190: ok 24717
190: ok 24718
190: ok 24719
190: ok 24720
190: ok 24721
190: ok 24722
190: ok 24723
190: ok 24724
190: ok 24725
190: ok 24726
190: ok 24727
190: ok 24728
190: ok 24729
190: ok 24730
190: ok 24731
190: ok 24732
190: ok 24733
190: ok 24734
190: ok 24735
190: ok 24736
190: ok 24737
190: ok 24738
190: ok 24739
190: ok 24740
190: ok 24741
190: ok 24742
190: ok 24743
190: ok 24744
190: ok 24745
190: ok 24746
190: ok 24747
190: ok 24748
190: ok 24749
190: ok 24750
190: ok 24751
190: ok 24752
190: ok 24753
190: ok 24754
190: ok 24755
190: ok 24756
190: ok 24757
190: ok 24758
190: ok 24759
190: ok 24760
190: ok 24761
190: ok 24762
190: ok 24763
190: ok 24764
190: ok 24765
190: ok 24766
190: ok 24767
190: ok 24768
190: ok 24769
190: ok 24770
190: ok 24771
190: ok 24772
190: ok 24773
190: ok 24774
190: ok 24775
190: ok 24776
190: ok 24777
190: ok 24778
190: ok 24779
190: ok 24780
190: ok 24781
190: ok 24782
190: ok 24783
190: ok 24784
190: ok 24785
190: ok 24786
190: ok 24787
190: ok 24788
190: ok 24789
190: ok 24790
190: ok 24791
190: ok 24792
190: ok 24793
190: ok 24794
190: ok 24795
190: ok 24796
190: ok 24797
190: ok 24798
190: ok 24799
190: ok 24800
190: ok 24801
190: ok 24802
190: ok 24803
190: ok 24804
190: ok 24805
190: ok 24806
190: ok 24807
190: ok 24808
190: ok 24809
190: ok 24810
190: ok 24811
190: ok 24812
190: ok 24813
190: ok 24814
190: ok 24815
190: ok 24816
190: ok 24817
190: ok 24818
190: ok 24819
190: ok 24820
190: ok 24821
190: ok 24822
190: ok 24823
190: ok 24824
190: ok 24825
190: ok 24826
190: ok 24827
190: ok 24828
190: ok 24829
190: ok 24830
190: ok 24831
190: ok 24832
190: ok 24833
190: ok 24834
190: ok 24835
190: ok 24836
190: ok 24837
190: ok 24838
190: ok 24839
190: ok 24840
190: ok 24841
190: ok 24842
190: ok 24843
190: ok 24844
190: ok 24845
190: ok 24846
190: ok 24847
190: ok 24848
190: ok 24849
190: ok 24850
190: ok 24851
190: ok 24852
190: ok 24853
190: ok 24854
190: ok 24855
190: ok 24856
190: ok 24857
190: ok 24858
190: ok 24859
190: ok 24860
190: ok 24861
190: ok 24862
190: ok 24863
190: ok 24864
190: ok 24865
190: ok 24866
190: ok 24867
190: ok 24868
190: ok 24869
190: ok 24870
190: ok 24871
190: ok 24872
190: ok 24873
190: ok 24874
190: ok 24875
190: ok 24876
190: ok 24877
190: ok 24878
190: ok 24879
190: ok 24880
190: ok 24881
190: ok 24882
190: ok 24883
190: ok 24884
190: ok 24885
190: ok 24886
190: ok 24887
190: ok 24888
190: ok 24889
190: ok 24890
190: ok 24891
190: ok 24892
190: ok 24893
190: ok 24894
190: ok 24895
190: ok 24896
190: ok 24897
190: ok 24898
190: ok 24899
190: ok 24900
190: ok 24901
190: ok 24902
190: ok 24903
190: ok 24904
190: ok 24905
190: ok 24906
190: ok 24907
190: ok 24908
190: ok 24909
190: ok 24910
190: ok 24911
190: ok 24912
190: ok 24913
190: ok 24914
190: ok 24915
190: ok 24916
190: ok 24917
190: ok 24918
190: ok 24919
190: ok 24920
190: ok 24921
190: ok 24922
190: ok 24923
190: ok 24924
190: ok 24925
190: ok 24926
190: ok 24927
190: ok 24928
190: ok 24929
190: ok 24930
190: ok 24931
190: ok 24932
190: ok 24933
190: ok 24934
190: ok 24935
190: ok 24936
190: ok 24937
190: ok 24938
190: ok 24939
190: ok 24940
190: ok 24941
190: ok 24942
190: ok 24943
190: ok 24944
190: ok 24945
190: ok 24946
190: ok 24947
190: ok 24948
190: ok 24949
190: ok 24950
190: ok 24951
190: ok 24952
190: ok 24953
190: ok 24954
190: ok 24955
190: ok 24956
190: ok 24957
190: ok 24958
190: ok 24959
190: ok 24960
190: ok 24961
190: ok 24962
190: ok 24963
190: ok 24964
190: ok 24965
190: ok 24966
190: ok 24967
190: ok 24968
190: ok 24969
190: ok 24970
190: ok 24971
190: ok 24972
190: ok 24973
190: ok 24974
190: ok 24975
190: ok 24976
190: ok 24977
190: ok 24978
190: ok 24979
190: ok 24980
190: ok 24981
190: ok 24982
190: ok 24983
190: ok 24984
190: ok 24985
190: ok 24986
190: ok 24987
190: ok 24988
190: ok 24989
190: ok 24990
190: ok 24991
190: ok 24992
190: ok 24993
190: ok 24994
190: ok 24995
190: ok 24996
190: ok 24997
190: ok 24998
190: ok 24999
190: ok 25000
190: ok 25001
190: ok 25002
190: ok 25003
190: ok 25004
190: ok 25005
190: ok 25006
190: ok 25007
190: ok 25008
190: ok 25009
190: ok 25010
190: ok 25011
190: ok 25012
190: ok 25013
190: ok 25014
190: ok 25015
190: ok 25016
190: ok 25017
190: ok 25018
190: ok 25019
190: ok 25020
190: ok 25021
190: ok 25022
190: ok 25023
190: ok 25024
190: ok 25025
190: ok 25026
190: ok 25027
190: ok 25028
190: ok 25029
190: ok 25030
190: ok 25031
190: ok 25032
190: ok 25033
190: ok 25034
190: ok 25035
190: ok 25036
190: ok 25037
190: ok 25038
190: ok 25039
190: ok 25040
190: ok 25041
190: ok 25042
190: ok 25043
190: ok 25044
190: ok 25045
190: ok 25046
190: ok 25047
190: ok 25048
190: ok 25049
190: ok 25050
190: ok 25051
190: ok 25052
190: ok 25053
190: ok 25054
190: ok 25055
190: ok 25056
190: ok 25057
190: ok 25058
190: ok 25059
190: ok 25060
190: ok 25061
190: ok 25062
190: ok 25063
190: ok 25064
190: ok 25065
190: ok 25066
190: ok 25067
190: ok 25068
190: ok 25069
190: ok 25070
190: ok 25071
190: ok 25072
190: ok 25073
190: ok 25074
190: ok 25075
190: ok 25076
190: ok 25077
190: ok 25078
190: ok 25079
190: ok 25080
190: ok 25081
190: ok 25082
190: ok 25083
190: ok 25084
190: ok 25085
190: ok 25086
190: ok 25087
190: ok 25088
190: ok 25089
190: ok 25090
190: ok 25091
190: ok 25092
190: ok 25093
190: ok 25094
190: ok 25095
190: ok 25096
190: ok 25097
190: ok 25098
190: ok 25099
190: ok 25100
190: ok 25101
190: ok 25102
190: ok 25103
190: ok 25104
190: ok 25105
190: ok 25106
190: ok 25107
190: ok 25108
190: ok 25109
190: ok 25110
190: ok 25111
190: ok 25112
190: ok 25113
190: ok 25114
190: ok 25115
190: ok 25116
190: ok 25117
190: ok 25118
190: ok 25119
190: ok 25120
190: ok 25121
190: ok 25122
190: ok 25123
190: ok 25124
190: ok 25125
190: ok 25126
190: ok 25127
190: ok 25128
190: ok 25129
190: ok 25130
190: ok 25131
190: ok 25132
190: ok 25133
190: ok 25134
190: ok 25135
190: ok 25136
190: ok 25137
190: ok 25138
190: ok 25139
190: ok 25140
190: ok 25141
190: ok 25142
190: ok 25143
190: ok 25144
190: ok 25145
190: ok 25146
190: ok 25147
190: ok 25148
190: ok 25149
190: ok 25150
190: ok 25151
190: ok 25152
190: ok 25153
190: ok 25154
190: ok 25155
190: ok 25156
190: ok 25157
190: ok 25158
190: ok 25159
190: ok 25160
190: ok 25161
190: ok 25162
190: ok 25163
190: ok 25164
190: ok 25165
190: ok 25166
190: ok 25167
190: ok 25168
190: ok 25169
190: ok 25170
190: ok 25171
190: ok 25172
190: ok 25173
190: ok 25174
190: ok 25175
190: ok 25176
190: ok 25177
190: ok 25178
190: ok 25179
190: ok 25180
190: ok 25181
190: ok 25182
190: ok 25183
190: ok 25184
190: ok 25185
190: ok 25186
190: ok 25187
190: ok 25188
190: ok 25189
190: ok 25190
190: ok 25191
190: ok 25192
190: ok 25193
190: ok 25194
190: ok 25195
190: ok 25196
190: ok 25197
190: ok 25198
190: ok 25199
190: ok 25200
190: ok 25201
190: ok 25202
190: ok 25203
190: ok 25204
190: ok 25205
190: ok 25206
190: ok 25207
190: ok 25208
190: ok 25209
190: ok 25210
190: ok 25211
190: ok 25212
190: ok 25213
190: ok 25214
190: ok 25215
190: ok 25216
190: ok 25217
190: ok 25218
190: ok 25219
190: ok 25220
190: ok 25221
190: ok 25222
190: ok 25223
190: ok 25224
190: ok 25225
190: ok 25226
190: ok 25227
190: ok 25228
190: ok 25229
190: ok 25230
190: ok 25231
190: ok 25232
190: ok 25233
190: ok 25234
190: ok 25235
190: ok 25236
190: ok 25237
190: ok 25238
190: ok 25239
190: ok 25240
190: ok 25241
190: ok 25242
190: ok 25243
190: ok 25244
190: ok 25245
190: ok 25246
190: ok 25247
190: ok 25248
190: ok 25249
190: ok 25250
190: ok 25251
190: ok 25252
190: ok 25253
190: ok 25254
190: ok 25255
190: ok 25256
190: ok 25257
190: ok 25258
190: ok 25259
190: ok 25260
190: ok 25261
190: ok 25262
190: ok 25263
190: ok 25264
190: ok 25265
190: ok 25266
190: ok 25267
190: ok 25268
190: ok 25269
190: ok 25270
190: ok 25271
190: ok 25272
190: ok 25273
190: ok 25274
190: ok 25275
190: ok 25276
190: ok 25277
190: ok 25278
190: ok 25279
190: ok 25280
190: ok 25281
190: ok 25282
190: ok 25283
190: ok 25284
190: ok 25285
190: ok 25286
190: ok 25287
190: ok 25288
190: ok 25289
190: ok 25290
190: ok 25291
190: ok 25292
190: ok 25293
190: ok 25294
190: ok 25295
190: ok 25296
190: ok 25297
190: ok 25298
190: ok 25299
190: ok 25300
190: ok 25301
190: ok 25302
190: ok 25303
190: ok 25304
190: ok 25305
190: ok 25306
190: ok 25307
190: ok 25308
190: ok 25309
190: ok 25310
190: ok 25311
190: ok 25312
190: ok 25313
190: ok 25314
190: ok 25315
190: ok 25316
190: ok 25317
190: ok 25318
190: ok 25319
190: ok 25320
190: ok 25321
190: ok 25322
190: ok 25323
190: ok 25324
190: ok 25325
190: ok 25326
190: ok 25327
190: ok 25328
190: ok 25329
190: ok 25330
190: ok 25331
190: ok 25332
190: ok 25333
190: ok 25334
190: ok 25335
190: ok 25336
190: ok 25337
190: ok 25338
190: ok 25339
190: ok 25340
190: ok 25341
190: ok 25342
190: ok 25343
190: ok 25344
190: ok 25345
190: ok 25346
190: ok 25347
190: ok 25348
190: ok 25349
190: ok 25350
190: ok 25351
190: ok 25352
190: ok 25353
190: ok 25354
190: ok 25355
190: ok 25356
190: ok 25357
190: ok 25358
190: ok 25359
190: ok 25360
190: ok 25361
190: ok 25362
190: ok 25363
190: ok 25364
190: ok 25365
190: ok 25366
190: ok 25367
190: ok 25368
190: ok 25369
190: ok 25370
190: ok 25371
190: ok 25372
190: ok 25373
190: ok 25374
190: ok 25375
190: ok 25376
190: ok 25377
190: ok 25378
190: ok 25379
190: ok 25380
190: ok 25381
190: ok 25382
190: ok 25383
190: ok 25384
190: ok 25385
190: ok 25386
190: ok 25387
190: ok 25388
190: ok 25389
190: ok 25390
190: ok 25391
190: ok 25392
190: ok 25393
190: ok 25394
190: ok 25395
190: ok 25396
190: ok 25397
190: ok 25398
190: ok 25399
190: ok 25400
190: ok 25401
190: ok 25402
190: ok 25403
190: ok 25404
190: ok 25405
190: ok 25406
190: ok 25407
190: ok 25408
190: ok 25409
190: ok 25410
190: ok 25411
190: ok 25412
190: ok 25413
190: ok 25414
190: ok 25415
190: ok 25416
190: ok 25417
190: ok 25418
190: ok 25419
190: ok 25420
190: ok 25421
190: ok 25422
190: ok 25423
190: ok 25424
190: ok 25425
190: ok 25426
190: ok 25427
190: ok 25428
190: ok 25429
190: ok 25430
190: ok 25431
190: ok 25432
190: ok 25433
190: ok 25434
190: ok 25435
190: ok 25436
190: ok 25437
190: ok 25438
190: ok 25439
190: ok 25440
190: ok 25441
190: ok 25442
190: ok 25443
190: ok 25444
190: ok 25445
190: ok 25446
190: ok 25447
190: ok 25448
190: ok 25449
190: ok 25450
190: ok 25451
190: ok 25452
190: ok 25453
190: ok 25454
190: ok 25455
190: ok 25456
190: ok 25457
190: ok 25458
190: ok 25459
190: ok 25460
190: ok 25461
190: ok 25462
190: ok 25463
190: ok 25464
190: ok 25465
190: ok 25466
190: ok 25467
190: ok 25468
190: ok 25469
190: ok 25470
190: ok 25471
190: ok 25472
190: ok 25473
190: ok 25474
190: ok 25475
190: ok 25476
190: ok 25477
190: ok 25478
190: ok 25479
190: ok 25480
190: ok 25481
190: ok 25482
190: ok 25483
190: ok 25484
190: ok 25485
190: ok 25486
190: ok 25487
190: ok 25488
190: ok 25489
190: ok 25490
190: ok 25491
190: ok 25492
190: ok 25493
190: ok 25494
190: ok 25495
190: ok 25496
190: ok 25497
190: ok 25498
190: ok 25499
190: ok 25500
190: ok 25501
190: ok 25502
190: ok 25503
190: ok 25504
190: ok 25505
190: ok 25506
190: ok 25507
190: ok 25508
190: ok 25509
190: ok 25510
190: ok 25511
190: ok 25512
190: ok 25513
190: ok 25514
190: ok 25515
190: ok 25516
190: ok 25517
190: ok 25518
190: ok 25519
190: ok 25520
190: ok 25521
190: ok 25522
190: ok 25523
190: ok 25524
190: ok 25525
190: ok 25526
190: ok 25527
190: ok 25528
190: ok 25529
190: ok 25530
190: ok 25531
190: ok 25532
190: ok 25533
190: ok 25534
190: ok 25535
190: ok 25536
190: ok 25537
190: ok 25538
190: ok 25539
190: ok 25540
190: ok 25541
190: ok 25542
190: ok 25543
190: ok 25544
190: ok 25545
190: ok 25546
190: ok 25547
190: ok 25548
190: ok 25549
190: ok 25550
190: ok 25551
190: ok 25552
190: ok 25553
190: ok 25554
190: ok 25555
190: ok 25556
190: ok 25557
190: ok 25558
190: ok 25559
190: ok 25560
190: ok 25561
190: ok 25562
190: ok 25563
190: ok 25564
190: ok 25565
190: ok 25566
190: ok 25567
190: ok 25568
190: ok 25569
190: ok 25570
190: ok 25571
190: ok 25572
190: ok 25573
190: ok 25574
190: ok 25575
190: ok 25576
190: ok 25577
190: ok 25578
190: ok 25579
190: ok 25580
190: ok 25581
190: ok 25582
190: ok 25583
190: ok 25584
190: ok 25585
190: ok 25586
190: ok 25587
190: ok 25588
190: ok 25589
190: ok 25590
190: ok 25591
190: ok 25592
190: ok 25593
190: ok 25594
190: ok 25595
190: ok 25596
190: ok 25597
190: ok 25598
190: ok 25599
190: ok 25600
190: ok 25601
190: ok 25602
190: ok 25603
190: ok 25604
190: ok 25605
190: ok 25606
190: ok 25607
190: ok 25608
190: ok 25609
190: ok 25610
190: ok 25611
190: ok 25612
190: ok 25613
190: ok 25614
190: ok 25615
190: ok 25616
190: ok 25617
190: ok 25618
190: ok 25619
190: ok 25620
190: ok 25621
190: ok 25622
190: ok 25623
190: ok 25624
190: ok 25625
190: ok 25626
190: ok 25627
190: ok 25628
190: ok 25629
190: ok 25630
190: ok 25631
190: ok 25632
190: ok 25633
190: ok 25634
190: ok 25635
190: ok 25636
190: ok 25637
190: ok 25638
190: ok 25639
190: ok 25640
190: ok 25641
190: ok 25642
190: ok 25643
190: ok 25644
190: ok 25645
190: ok 25646
190: ok 25647
190: ok 25648
190: ok 25649
190: ok 25650
190: ok 25651
190: ok 25652
190: ok 25653
190: ok 25654
190: ok 25655
190: ok 25656
190: ok 25657
190: ok 25658
190: ok 25659
190: ok 25660
190: ok 25661
190: ok 25662
190: ok 25663
190: ok 25664
190: ok 25665
190: ok 25666
190: ok 25667
190: ok 25668
190: ok 25669
190: ok 25670
190: ok 25671
190: ok 25672
190: ok 25673
190: ok 25674
190: ok 25675
190: ok 25676
190: ok 25677
190: ok 25678
190: ok 25679
190: ok 25680
190: ok 25681
190: ok 25682
190: ok 25683
190: ok 25684
190: ok 25685
190: ok 25686
190: ok 25687
190: ok 25688
190: ok 25689
190: ok 25690
190: ok 25691
190: ok 25692
190: ok 25693
190: ok 25694
190: ok 25695
190: ok 25696
190: ok 25697
190: ok 25698
190: ok 25699
190: ok 25700
190: ok 25701
190: ok 25702
190: ok 25703
190: ok 25704
190: ok 25705
190: ok 25706
190: ok 25707
190: ok 25708
190: ok 25709
190: ok 25710
190: ok 25711
190: ok 25712
190: ok 25713
190: ok 25714
190: ok 25715
190: ok 25716
190: ok 25717
190: ok 25718
190: ok 25719
190: ok 25720
190: ok 25721
190: ok 25722
190: ok 25723
190: ok 25724
190: ok 25725
190: ok 25726
190: ok 25727
190: ok 25728
190: ok 25729
190: ok 25730
190: ok 25731
190: ok 25732
190: ok 25733
190: ok 25734
190: ok 25735
190: ok 25736
190: ok 25737
190: ok 25738
190: ok 25739
190: ok 25740
190: ok 25741
190: ok 25742
190: ok 25743
190: ok 25744
190: ok 25745
190: ok 25746
190: ok 25747
190: ok 25748
190: ok 25749
190: ok 25750
190: ok 25751
190: ok 25752
190: ok 25753
190: ok 25754
190: ok 25755
190: ok 25756
190: ok 25757
190: ok 25758
190: ok 25759
190: ok 25760
190: ok 25761
190: ok 25762
190: ok 25763
190: ok 25764
190: ok 25765
190: ok 25766
190: ok 25767
190: ok 25768
190: ok 25769
190: ok 25770
190: ok 25771
190: ok 25772
190: ok 25773
190: ok 25774
190: ok 25775
190: ok 25776
190: ok 25777
190: ok 25778
190: ok 25779
190: ok 25780
190: ok 25781
190: ok 25782
190: ok 25783
190: ok 25784
190: ok 25785
190: ok 25786
190: ok 25787
190: ok 25788
190: ok 25789
190: ok 25790
190: ok 25791
190: ok 25792
190: ok 25793
190: ok 25794
190: ok 25795
190: ok 25796
190: ok 25797
190: ok 25798
190: ok 25799
190: ok 25800
190: ok 25801
190: ok 25802
190: ok 25803
190: ok 25804
190: ok 25805
190: ok 25806
190: ok 25807
190: ok 25808
190: ok 25809
190: ok 25810
190: ok 25811
190: ok 25812
190: ok 25813
190: ok 25814
190: ok 25815
190: ok 25816
190: ok 25817
190: ok 25818
190: ok 25819
190: ok 25820
190: ok 25821
190: ok 25822
190: ok 25823
190: ok 25824
190: ok 25825
190: ok 25826
190: ok 25827
190: ok 25828
190: ok 25829
190: ok 25830
190: ok 25831
190: ok 25832
190: ok 25833
190: ok 25834
190: ok 25835
190: ok 25836
190: ok 25837
190: ok 25838
190: ok 25839
190: ok 25840
190: ok 25841
190: ok 25842
190: ok 25843
190: ok 25844
190: ok 25845
190: ok 25846
190: ok 25847
190: ok 25848
190: ok 25849
190: ok 25850
190: ok 25851
190: ok 25852
190: ok 25853
190: ok 25854
190: ok 25855
190: ok 25856
190: ok 25857
190: ok 25858
190: ok 25859
190: ok 25860
190: ok 25861
190: ok 25862
190: ok 25863
190: ok 25864
190: ok 25865
190: ok 25866
190: ok 25867
190: ok 25868
190: ok 25869
190: ok 25870
190: ok 25871
190: ok 25872
190: ok 25873
190: ok 25874
190: ok 25875
190: ok 25876
190: ok 25877
190: ok 25878
190: ok 25879
190: ok 25880
190: ok 25881
190: ok 25882
190: ok 25883
190: ok 25884
190: ok 25885
190: ok 25886
190: ok 25887
190: ok 25888
190: ok 25889
190: ok 25890
190: ok 25891
190: ok 25892
190: ok 25893
190: ok 25894
190: ok 25895
190: ok 25896
190: ok 25897
190: ok 25898
190: ok 25899
190: ok 25900
190: ok 25901
190: ok 25902
190: ok 25903
190: ok 25904
190: ok 25905
190: ok 25906
190: ok 25907
190: ok 25908
190: ok 25909
190: ok 25910
190: ok 25911
190: ok 25912
190: ok 25913
190: ok 25914
190: ok 25915
190: ok 25916
190: ok 25917
190: ok 25918
190: ok 25919
190: ok 25920
190: ok 25921
190: ok 25922
190: ok 25923
190: ok 25924
190: ok 25925
190: ok 25926
190: ok 25927
190: ok 25928
190: ok 25929
190: ok 25930
190: ok 25931
190: ok 25932
190: ok 25933
190: ok 25934
190: ok 25935
190: ok 25936
190: ok 25937
190: ok 25938
190: ok 25939
190: ok 25940
190: ok 25941
190: ok 25942
190: ok 25943
190: ok 25944
190: ok 25945
190: ok 25946
190: ok 25947
190: ok 25948
190: ok 25949
190: ok 25950
190: ok 25951
190: ok 25952
190: ok 25953
190: ok 25954
190: ok 25955
190: ok 25956
190: ok 25957
190: ok 25958
190: ok 25959
190: ok 25960
190: ok 25961
190: ok 25962
190: ok 25963
190: ok 25964
190: ok 25965
190: ok 25966
190: ok 25967
190: ok 25968
190: ok 25969
190: ok 25970
190: ok 25971
190: ok 25972
190: ok 25973
190: ok 25974
190: ok 25975
190: ok 25976
190: ok 25977
190: ok 25978
190: ok 25979
190: ok 25980
190: ok 25981
190: ok 25982
190: ok 25983
190: ok 25984
190: ok 25985
190: ok 25986
190: ok 25987
190: ok 25988
190: ok 25989
190: ok 25990
190: ok 25991
190: ok 25992
190: ok 25993
190: ok 25994
190: ok 25995
190: ok 25996
190: ok 25997
190: ok 25998
190: ok 25999
190: ok 26000
190: ok 26001
190: ok 26002
190: ok 26003
190: ok 26004
190: ok 26005
190: ok 26006
190: ok 26007
190: ok 26008
190: ok 26009
190: ok 26010
190: ok 26011
190: ok 26012
190: ok 26013
190: ok 26014
190: ok 26015
190: ok 26016
190: ok 26017
190: ok 26018
190: ok 26019
190: ok 26020
190: ok 26021
190: ok 26022
190: ok 26023
190: ok 26024
190: ok 26025
190: ok 26026
190: ok 26027
190: ok 26028
190: ok 26029
190: ok 26030
190: ok 26031
190: ok 26032
190: ok 26033
190: ok 26034
190: ok 26035
190: ok 26036
190: ok 26037
190: ok 26038
190: ok 26039
190: ok 26040
190: ok 26041
190: ok 26042
190: ok 26043
190: ok 26044
190: ok 26045
190: ok 26046
190: ok 26047
190: ok 26048
190: ok 26049
190: ok 26050
190: ok 26051
190: ok 26052
190: ok 26053
190: ok 26054
190: ok 26055
190: ok 26056
190: ok 26057
190: ok 26058
190: ok 26059
190: ok 26060
190: ok 26061
190: ok 26062
190: ok 26063
190: ok 26064
190: ok 26065
190: ok 26066
190: ok 26067
190: ok 26068
190: ok 26069
190: ok 26070
190: ok 26071
190: ok 26072
190: ok 26073
190: ok 26074
190: ok 26075
190: ok 26076
190: ok 26077
190: ok 26078
190: ok 26079
190: ok 26080
190: ok 26081
190: ok 26082
190: ok 26083
190: ok 26084
190: ok 26085
190: ok 26086
190: ok 26087
190: ok 26088
190: ok 26089
190: ok 26090
190: ok 26091
190: ok 26092
190: ok 26093
190: ok 26094
190: ok 26095
190: ok 26096
190: ok 26097
190: ok 26098
190: ok 26099
190: ok 26100
190: ok 26101
190: ok 26102
190: ok 26103
190: ok 26104
190: ok 26105
190: ok 26106
190: ok 26107
190: ok 26108
190: ok 26109
190: ok 26110
190: ok 26111
190: ok 26112
190: ok 26113
190: ok 26114
190: ok 26115
190: ok 26116
190: ok 26117
190: ok 26118
190: ok 26119
190: ok 26120
190: ok 26121
190: ok 26122
190: ok 26123
190: ok 26124
190: ok 26125
190: ok 26126
190: ok 26127
190: ok 26128
190: ok 26129
190: ok 26130
190: ok 26131
190: ok 26132
190: ok 26133
190: ok 26134
190: ok 26135
190: ok 26136
190: ok 26137
190: ok 26138
190: ok 26139
190: ok 26140
190: ok 26141
190: ok 26142
190: ok 26143
190: ok 26144
190: ok 26145
190: ok 26146
190: ok 26147
190: ok 26148
190: ok 26149
190: ok 26150
190: ok 26151
190: ok 26152
190: ok 26153
190: ok 26154
190: ok 26155
190: ok 26156
190: ok 26157
190: ok 26158
190: ok 26159
190: ok 26160
190: ok 26161
190: ok 26162
190: ok 26163
190: ok 26164
190: ok 26165
190: ok 26166
190: ok 26167
190: ok 26168
190: ok 26169
190: ok 26170
190: ok 26171
190: ok 26172
190: ok 26173
190: ok 26174
190: ok 26175
190: ok 26176
190: ok 26177
190: ok 26178
190: ok 26179
190: ok 26180
190: ok 26181
190: ok 26182
190: ok 26183
190: ok 26184
190: ok 26185
190: ok 26186
190: ok 26187
190: ok 26188
190: ok 26189
190: ok 26190
190: ok 26191
190: ok 26192
190: ok 26193
190: ok 26194
190: ok 26195
190: ok 26196
190: ok 26197
190: ok 26198
190: ok 26199
190: ok 26200
190: ok 26201
190: ok 26202
190: ok 26203
190: ok 26204
190: ok 26205
190: ok 26206
190: ok 26207
190: ok 26208
190: ok 26209
190: ok 26210
190: ok 26211
190: ok 26212
190: ok 26213
190: ok 26214
190: ok 26215
190: ok 26216
190: ok 26217
190: ok 26218
190: ok 26219
190: ok 26220
190: ok 26221
190: ok 26222
190: ok 26223
190: ok 26224
190: ok 26225
190: ok 26226
190: ok 26227
190: ok 26228
190: ok 26229
190: ok 26230
190: ok 26231
190: ok 26232
190: ok 26233
190: ok 26234
190: ok 26235
190: ok 26236
190: ok 26237
190: ok 26238
190: ok 26239
190: ok 26240
190: ok 26241
190: ok 26242
190: ok 26243
190: ok 26244
190: ok 26245
190: ok 26246
190: ok 26247
190: ok 26248
190: ok 26249
190: ok 26250
190: ok 26251
190: ok 26252
190: ok 26253
190: ok 26254
190: ok 26255
190: ok 26256
190: ok 26257
190: ok 26258
190: ok 26259
190: ok 26260
190: ok 26261
190: ok 26262
190: ok 26263
190: ok 26264
190: ok 26265
190: ok 26266
190: ok 26267
190: ok 26268
190: ok 26269
190: ok 26270
190: ok 26271
190: ok 26272
190: ok 26273
190: ok 26274
190: ok 26275
190: ok 26276
190: ok 26277
190: ok 26278
190: ok 26279
190: ok 26280
190: ok 26281
190: ok 26282
190: ok 26283
190: ok 26284
190: ok 26285
190: ok 26286
190: ok 26287
190: ok 26288
190: ok 26289
190: ok 26290
190: ok 26291
190: ok 26292
190: ok 26293
190: ok 26294
190: ok 26295
190: ok 26296
190: ok 26297
190: ok 26298
190: ok 26299
190: ok 26300
190: ok 26301
190: ok 26302
190: ok 26303
190: ok 26304
190: ok 26305
190: ok 26306
190: ok 26307
190: ok 26308
190: ok 26309
190: ok 26310
190: ok 26311
190: ok 26312
190: ok 26313
190: ok 26314
190: ok 26315
190: ok 26316
190: ok 26317
190: ok 26318
190: ok 26319
190: ok 26320
190: ok 26321
190: ok 26322
190: ok 26323
190: ok 26324
190: ok 26325
190: ok 26326
190: ok 26327
190: ok 26328
190: ok 26329
190: ok 26330
190: ok 26331
190: ok 26332
190: ok 26333
190: ok 26334
190: ok 26335
190: ok 26336
190: ok 26337
190: ok 26338
190: ok 26339
190: ok 26340
190: ok 26341
190: ok 26342
190: ok 26343
190: ok 26344
190: ok 26345
190: ok 26346
190: ok 26347
190: ok 26348
190: ok 26349
190: ok 26350
190: ok 26351
190: ok 26352
190: ok 26353
190: ok 26354
190: ok 26355
190: ok 26356
190: ok 26357
190: ok 26358
190: ok 26359
190: ok 26360
190: ok 26361
190: ok 26362
190: ok 26363
190: ok 26364
190: ok 26365
190: ok 26366
190: ok 26367
190: ok 26368
190: ok 26369
190: ok 26370
190: ok 26371
190: ok 26372
190: ok 26373
190: ok 26374
190: ok 26375
190: ok 26376
190: ok 26377
190: ok 26378
190: ok 26379
190: ok 26380
190: ok 26381
190: ok 26382
190: ok 26383
190: ok 26384
190: ok 26385
190: ok 26386
190: ok 26387
190: ok 26388
190: ok 26389
190: ok 26390
190: ok 26391
190: ok 26392
190: ok 26393
190: ok 26394
190: ok 26395
190: ok 26396
190: ok 26397
190: ok 26398
190: ok 26399
190: ok 26400
190: ok 26401
190: ok 26402
190: ok 26403
190: ok 26404
190: ok 26405
190: ok 26406
190: ok 26407
190: ok 26408
190: ok 26409
190: ok 26410
190: ok 26411
190: ok 26412
190: ok 26413
190: ok 26414
190: ok 26415
190: ok 26416
190: ok 26417
190: ok 26418
190: ok 26419
190: ok 26420
190: ok 26421
190: ok 26422
190: ok 26423
190: ok 26424
190: ok 26425
190: ok 26426
190: ok 26427
190: ok 26428
190: ok 26429
190: ok 26430
190: ok 26431
190: ok 26432
190: ok 26433
190: ok 26434
190: ok 26435
190: ok 26436
190: ok 26437
190: ok 26438
190: ok 26439
190: ok 26440
190: ok 26441
190: ok 26442
190: ok 26443
190: ok 26444
190: ok 26445
190: ok 26446
190: ok 26447
190: ok 26448
190: ok 26449
190: ok 26450
190: ok 26451
190: ok 26452
190: ok 26453
190: ok 26454
190: ok 26455
190: ok 26456
190: ok 26457
190: ok 26458
190: ok 26459
190: ok 26460
190: ok 26461
190: ok 26462
190: ok 26463
190: ok 26464
190: ok 26465
190: ok 26466
190: ok 26467
190: ok 26468
190: ok 26469
190: ok 26470
190: ok 26471
190: ok 26472
190: ok 26473
190: ok 26474
190: ok 26475
190: ok 26476
190: ok 26477
190: ok 26478
190: ok 26479
190: ok 26480
190: ok 26481
190: ok 26482
190: ok 26483
190: ok 26484
190: ok 26485
190: ok 26486
190: ok 26487
190: ok 26488
190: ok 26489
190: ok 26490
190: ok 26491
190: ok 26492
190: ok 26493
190: ok 26494
190: ok 26495
190: ok 26496
190: ok 26497
190: ok 26498
190: ok 26499
190: ok 26500
190: ok 26501
190: ok 26502
190: ok 26503
190: ok 26504
190: ok 26505
190: ok 26506
190: ok 26507
190: ok 26508
190: ok 26509
190: ok 26510
190: ok 26511
190: ok 26512
190: ok 26513
190: ok 26514
190: ok 26515
190: ok 26516
190: ok 26517
190: ok 26518
190: ok 26519
190: ok 26520
190: ok 26521
190: ok 26522
190: ok 26523
190: ok 26524
190: ok 26525
190: ok 26526
190: ok 26527
190: ok 26528
190: ok 26529
190: ok 26530
190: ok 26531
190: ok 26532
190: ok 26533
190: ok 26534
190: ok 26535
190: ok 26536
190: ok 26537
190: ok 26538
190: ok 26539
190: ok 26540
190: ok 26541
190: ok 26542
190: ok 26543
190: ok 26544
190: ok 26545
190: ok 26546
190: ok 26547
190: ok 26548
190: ok 26549
190: ok 26550
190: ok 26551
190: ok 26552
190: ok 26553
190: ok 26554
190: ok 26555
190: ok 26556
190: ok 26557
190: ok 26558
190: ok 26559
190: ok 26560
190: ok 26561
190: ok 26562
190: ok 26563
190: ok 26564
190: ok 26565
190: ok 26566
190: ok 26567
190: ok 26568
190: ok 26569
190: ok 26570
190: ok 26571
190: ok 26572
190: ok 26573
190: ok 26574
190: ok 26575
190: ok 26576
190: ok 26577
190: ok 26578
190: ok 26579
190: ok 26580
190: ok 26581
190: ok 26582
190: ok 26583
190: ok 26584
190: ok 26585
190: ok 26586
190: ok 26587
190: ok 26588
190: ok 26589
190: ok 26590
190: ok 26591
190: ok 26592
190: ok 26593
190: ok 26594
190: ok 26595
190: ok 26596
190: ok 26597
190: ok 26598
190: ok 26599
190: ok 26600
190: ok 26601
190: ok 26602
190: ok 26603
190: ok 26604
190: ok 26605
190: ok 26606
190: ok 26607
190: ok 26608
190: ok 26609
190: ok 26610
190: ok 26611
190: ok 26612
190: ok 26613
190: ok 26614
190: ok 26615
190: ok 26616
190: ok 26617
190: ok 26618
190: ok 26619
190: ok 26620
190: ok 26621
190: ok 26622
190: ok 26623
190: ok 26624
190: ok 26625
190: ok 26626
190: ok 26627
190: ok 26628
190: ok 26629
190: ok 26630
190: ok 26631
190: ok 26632
190: ok 26633
190: ok 26634
190: ok 26635
190: ok 26636
190: ok 26637
190: ok 26638
190: ok 26639
190: ok 26640
190: ok 26641
190: ok 26642
190: ok 26643
190: ok 26644
190: ok 26645
190: ok 26646
190: ok 26647
190: ok 26648
190: ok 26649
190: ok 26650
190: ok 26651
190: ok 26652
190: ok 26653
190: ok 26654
190: ok 26655
190: ok 26656
190: ok 26657
190: ok 26658
190: ok 26659
190: ok 26660
190: ok 26661
190: ok 26662
190: ok 26663
190: ok 26664
190: ok 26665
190: ok 26666
190: ok 26667
190: ok 26668
190: ok 26669
190: ok 26670
190: ok 26671
190: ok 26672
190: ok 26673
190: ok 26674
190: ok 26675
190: ok 26676
190: ok 26677
190: ok 26678
190: ok 26679
190: ok 26680
190: ok 26681
190: ok 26682
190: ok 26683
190: ok 26684
190: ok 26685
190: ok 26686
190: ok 26687
190: ok 26688
190: ok 26689
190: ok 26690
190: ok 26691
190: ok 26692
190: ok 26693
190: ok 26694
190: ok 26695
190: ok 26696
190: ok 26697
190: ok 26698
190: ok 26699
190: ok 26700
190: ok 26701
190: ok 26702
190: ok 26703
190: ok 26704
190: ok 26705
190: ok 26706
190: ok 26707
190: ok 26708
190: ok 26709
190: ok 26710
190: ok 26711
190: ok 26712
190: ok 26713
190: ok 26714
190: ok 26715
190: ok 26716
190: ok 26717
190: ok 26718
190: ok 26719
190: ok 26720
190: ok 26721
190: ok 26722
190: ok 26723
190: ok 26724
190: ok 26725
190: ok 26726
190: ok 26727
190: ok 26728
190: ok 26729
190: ok 26730
190: ok 26731
190: ok 26732
190: ok 26733
190: ok 26734
190: ok 26735
190: ok 26736
190: ok 26737
190: ok 26738
190: ok 26739
190: ok 26740
190: ok 26741
190: ok 26742
190: ok 26743
190: ok 26744
190: ok 26745
190: ok 26746
190: ok 26747
190: ok 26748
190: ok 26749
190: ok 26750
190: ok 26751
190: ok 26752
190: ok 26753
190: ok 26754
190: ok 26755
190: ok 26756
190: ok 26757
190: ok 26758
190: ok 26759
190: ok 26760
190: ok 26761
190: ok 26762
190: ok 26763
190: ok 26764
190: ok 26765
190: ok 26766
190: ok 26767
190: ok 26768
190: ok 26769
190: ok 26770
190: ok 26771
190: ok 26772
190: ok 26773
190: ok 26774
190: ok 26775
190: ok 26776
190: ok 26777
190: ok 26778
190: ok 26779
190: ok 26780
190: ok 26781
190: ok 26782
190: ok 26783
190: ok 26784
190: ok 26785
190: ok 26786
190: ok 26787
190: ok 26788
190: ok 26789
190: ok 26790
190: ok 26791
190: ok 26792
190: ok 26793
190: ok 26794
190: ok 26795
190: ok 26796
190: ok 26797
190: ok 26798
190: ok 26799
190: ok 26800
190: ok 26801
190: ok 26802
190: ok 26803
190: ok 26804
190: ok 26805
190: ok 26806
190: ok 26807
190: ok 26808
190: ok 26809
190: ok 26810
190: ok 26811
190: ok 26812
190: ok 26813
190: ok 26814
190: ok 26815
190: ok 26816
190: ok 26817
190: ok 26818
190: ok 26819
190: ok 26820
190: ok 26821
190: ok 26822
190: ok 26823
190: ok 26824
190: ok 26825
190: ok 26826
190: ok 26827
190: ok 26828
190: ok 26829
190: ok 26830
190: ok 26831
190: ok 26832
190: ok 26833
190: ok 26834
190: ok 26835
190: ok 26836
190: ok 26837
190: ok 26838
190: ok 26839
190: ok 26840
190: ok 26841
190: ok 26842
190: ok 26843
190: ok 26844
190: ok 26845
190: ok 26846
190: ok 26847
190: ok 26848
190: ok 26849
190: ok 26850
190: ok 26851
190: ok 26852
190: ok 26853
190: ok 26854
190: ok 26855
190: ok 26856
190: ok 26857
190: ok 26858
190: ok 26859
190: ok 26860
190: ok 26861
190: ok 26862
190: ok 26863
190: ok 26864
190: ok 26865
190: ok 26866
190: ok 26867
190: ok 26868
190: ok 26869
190: ok 26870
190: ok 26871
190: ok 26872
190: ok 26873
190: ok 26874
190: ok 26875
190: ok 26876
190: ok 26877
190: ok 26878
190: ok 26879
190: ok 26880
190: ok 26881
190: ok 26882
190: ok 26883
190: ok 26884
190: ok 26885
190: ok 26886
190: ok 26887
190: ok 26888
190: ok 26889
190: ok 26890
190: ok 26891
190: ok 26892
190: ok 26893
190: ok 26894
190: ok 26895
190: ok 26896
190: ok 26897
190: ok 26898
190: ok 26899
190: ok 26900
190: ok 26901
190: ok 26902
190: ok 26903
190: ok 26904
190: ok 26905
190: ok 26906
190: ok 26907
190: ok 26908
190: ok 26909
190: ok 26910
190: ok 26911
190: ok 26912
190: ok 26913
190: ok 26914
190: ok 26915
190: ok 26916
190: ok 26917
190: ok 26918
190: ok 26919
190: ok 26920
190: ok 26921
190: ok 26922
190: ok 26923
190: ok 26924
190: ok 26925
190: ok 26926
190: ok 26927
190: ok 26928
190: ok 26929
190: ok 26930
190: ok 26931
190: ok 26932
190: ok 26933
190: ok 26934
190: ok 26935
190: ok 26936
190: ok 26937
190: ok 26938
190: ok 26939
190: ok 26940
190: ok 26941
190: ok 26942
190: ok 26943
190: ok 26944
190: ok 26945
190: ok 26946
190: ok 26947
190: ok 26948
190: ok 26949
190: ok 26950
190: ok 26951
190: ok 26952
190: ok 26953
190: ok 26954
190: ok 26955
190: ok 26956
190: ok 26957
190: ok 26958
190: ok 26959
190: ok 26960
190: ok 26961
190: ok 26962
190: ok 26963
190: ok 26964
190: ok 26965
190: ok 26966
190: ok 26967
190: ok 26968
190: ok 26969
190: ok 26970
190: ok 26971
190: ok 26972
190: ok 26973
190: ok 26974
190: ok 26975
190: ok 26976
190: ok 26977
190: ok 26978
190: ok 26979
190: ok 26980
190: ok 26981
190: ok 26982
190: ok 26983
190: ok 26984
190: ok 26985
190: ok 26986
190: ok 26987
190: ok 26988
190: ok 26989
190: ok 26990
190: ok 26991
190: ok 26992
190: ok 26993
190: ok 26994
190: ok 26995
190: ok 26996
190: ok 26997
190: ok 26998
190: ok 26999
190: ok 27000
190: ok 27001
190: ok 27002
190: ok 27003
190: ok 27004
190: ok 27005
190: ok 27006
190: ok 27007
190: ok 27008
190: ok 27009
190: ok 27010
190: ok 27011
190: ok 27012
190: ok 27013
190: ok 27014
190: ok 27015
190: ok 27016
190: ok 27017
190: ok 27018
190: ok 27019
190: ok 27020
190: ok 27021
190: ok 27022
190: ok 27023
190: ok 27024
190: ok 27025
190: ok 27026
190: ok 27027
190: ok 27028
190: ok 27029
190: ok 27030
190: ok 27031
190: ok 27032
190: ok 27033
190: ok 27034
190: ok 27035
190: ok 27036
190: ok 27037
190: ok 27038
190: ok 27039
190: ok 27040
190: ok 27041
190: ok 27042
190: ok 27043
190: ok 27044
190: ok 27045
190: ok 27046
190: ok 27047
190: ok 27048
190: ok 27049
190: ok 27050
190: ok 27051
190: ok 27052
190: ok 27053
190: ok 27054
190: ok 27055
190: ok 27056
190: ok 27057
190: ok 27058
190: ok 27059
190: ok 27060
190: ok 27061
190: ok 27062
190: ok 27063
190: ok 27064
190: ok 27065
190: ok 27066
190: ok 27067
190: ok 27068
190: ok 27069
190: ok 27070
190: ok 27071
190: ok 27072
190: ok 27073
190: ok 27074
190: ok 27075
190: ok 27076
190: ok 27077
190: ok 27078
190: ok 27079
190: ok 27080
190: ok 27081
190: ok 27082
190: ok 27083
190: ok 27084
190: ok 27085
190: ok 27086
190: ok 27087
190: ok 27088
190: ok 27089
190: ok 27090
190: ok 27091
190: ok 27092
190: ok 27093
190: ok 27094
190: ok 27095
190: ok 27096
190: ok 27097
190: ok 27098
190: ok 27099
190: ok 27100
190: ok 27101
190: ok 27102
190: ok 27103
190: ok 27104
190: ok 27105
190: ok 27106
190: ok 27107
190: ok 27108
190: ok 27109
190: ok 27110
190: ok 27111
190: ok 27112
190: ok 27113
190: ok 27114
190: ok 27115
190: ok 27116
190: ok 27117
190: ok 27118
190: ok 27119
190: ok 27120
190: ok 27121
190: ok 27122
190: ok 27123
190: ok 27124
190: ok 27125
190: ok 27126
190: ok 27127
190: ok 27128
190: ok 27129
190: ok 27130
190: ok 27131
190: ok 27132
190: ok 27133
190: ok 27134
190: ok 27135
190: ok 27136
190: ok 27137
190: ok 27138
190: ok 27139
190: ok 27140
190: ok 27141
190: ok 27142
190: ok 27143
190: ok 27144
190: ok 27145
190: ok 27146
190: ok 27147
190: ok 27148
190: ok 27149
190: ok 27150
190: ok 27151
190: ok 27152
190: ok 27153
190: ok 27154
190: ok 27155
190: ok 27156
190: ok 27157
190: ok 27158
190: ok 27159
190: ok 27160
190: ok 27161
190: ok 27162
190: ok 27163
190: ok 27164
190: ok 27165
190: ok 27166
190: ok 27167
190: ok 27168
190: ok 27169
190: ok 27170
190: ok 27171
190: ok 27172
190: ok 27173
190: ok 27174
190: ok 27175
190: ok 27176
190: ok 27177
190: ok 27178
190: ok 27179
190: ok 27180
190: ok 27181
190: ok 27182
190: ok 27183
190: ok 27184
190: ok 27185
190: ok 27186
190: ok 27187
190: ok 27188
190: ok 27189
190: ok 27190
190: ok 27191
190: ok 27192
190: ok 27193
190: ok 27194
190: ok 27195
190: ok 27196
190: ok 27197
190: ok 27198
190: ok 27199
190: ok 27200
190: ok 27201
190: ok 27202
190: ok 27203
190: ok 27204
190: ok 27205
190: ok 27206
190: ok 27207
190: ok 27208
190: ok 27209
190: ok 27210
190: ok 27211
190: ok 27212
190: ok 27213
190: ok 27214
190: ok 27215
190: ok 27216
190: ok 27217
190: ok 27218
190: ok 27219
190: ok 27220
190: ok 27221
190: ok 27222
190: ok 27223
190: ok 27224
190: ok 27225
190: ok 27226
190: ok 27227
190: ok 27228
190: ok 27229
190: ok 27230
190: ok 27231
190: ok 27232
190: ok 27233
190: ok 27234
190: ok 27235
190: ok 27236
190: ok 27237
190: ok 27238
190: ok 27239
190: ok 27240
190: ok 27241
190: ok 27242
190: ok 27243
190: ok 27244
190: ok 27245
190: ok 27246
190: ok 27247
190: ok 27248
190: ok 27249
190: ok 27250
190: ok 27251
190: ok 27252
190: ok 27253
190: ok 27254
190: ok 27255
190: ok 27256
190: ok 27257
190: ok 27258
190: ok 27259
190: ok 27260
190: ok 27261
190: ok 27262
190: ok 27263
190: ok 27264
190: ok 27265
190: ok 27266
190: ok 27267
190: ok 27268
190: ok 27269
190: ok 27270
190: ok 27271
190: ok 27272
190: ok 27273
190: ok 27274
190: ok 27275
190: ok 27276
190: ok 27277
190: ok 27278
190: ok 27279
190: ok 27280
190: ok 27281
190: ok 27282
190: ok 27283
190: ok 27284
190: ok 27285
190: ok 27286
190: ok 27287
190: ok 27288
190: ok 27289
190: ok 27290
190: ok 27291
190: ok 27292
190: ok 27293
190: ok 27294
190: ok 27295
190: ok 27296
190: ok 27297
190: ok 27298
190: ok 27299
190: ok 27300
190: ok 27301
190: ok 27302
190: ok 27303
190: ok 27304
190: ok 27305
190: ok 27306
190: ok 27307
190: ok 27308
190: ok 27309
190: ok 27310
190: ok 27311
190: ok 27312
190: ok 27313
190: ok 27314
190: ok 27315
190: ok 27316
190: ok 27317
190: ok 27318
190: ok 27319
190: ok 27320
190: ok 27321
190: ok 27322
190: ok 27323
190: ok 27324
190: ok 27325
190: ok 27326
190: ok 27327
190: ok 27328
190: ok 27329
190: ok 27330
190: ok 27331
190: ok 27332
190: ok 27333
190: ok 27334
190: ok 27335
190: ok 27336
190: ok 27337
190: ok 27338
190: ok 27339
190: ok 27340
190: ok 27341
190: ok 27342
190: ok 27343
190: ok 27344
190: ok 27345
190: ok 27346
190: ok 27347
190: ok 27348
190: ok 27349
190: ok 27350
190: ok 27351
190: ok 27352
190: ok 27353
190: ok 27354
190: ok 27355
190: ok 27356
190: ok 27357
190: ok 27358
190: ok 27359
190: ok 27360
190: ok 27361
190: ok 27362
190: ok 27363
190: ok 27364
190: ok 27365
190: ok 27366
190: ok 27367
190: ok 27368
190: ok 27369
190: ok 27370
190: ok 27371
190: ok 27372
190: ok 27373
190: ok 27374
190: ok 27375
190: ok 27376
190: ok 27377
190: ok 27378
190: ok 27379
190: ok 27380
190: ok 27381
190: ok 27382
190: ok 27383
190: ok 27384
190: ok 27385
190: ok 27386
190: ok 27387
190: ok 27388
190: ok 27389
190: ok 27390
190: ok 27391
190: ok 27392
190: ok 27393
190: ok 27394
190: ok 27395
190: ok 27396
190: ok 27397
190: ok 27398
190: ok 27399
190: ok 27400
190: ok 27401
190: ok 27402
190: ok 27403
190: ok 27404
190: ok 27405
190: ok 27406
190: ok 27407
190: ok 27408
190: ok 27409
190: ok 27410
190: ok 27411
190: ok 27412
190: ok 27413
190: ok 27414
190: ok 27415
190: ok 27416
190: ok 27417
190: ok 27418
190: ok 27419
190: ok 27420
190: ok 27421
190: ok 27422
190: ok 27423
190: ok 27424
190: ok 27425
190: ok 27426
190: ok 27427
190: ok 27428
190: ok 27429
190: ok 27430
190: ok 27431
190: ok 27432
190: ok 27433
190: ok 27434
190: ok 27435
190: ok 27436
190: ok 27437
190: ok 27438
190: ok 27439
190: ok 27440
190: ok 27441
190: ok 27442
190: ok 27443
190: ok 27444
190: ok 27445
190: ok 27446
190: ok 27447
190: ok 27448
190: ok 27449
190: ok 27450
190: ok 27451
190: ok 27452
190: ok 27453
190: ok 27454
190: ok 27455
190: ok 27456
190: ok 27457
190: ok 27458
190: ok 27459
190: ok 27460
190: ok 27461
190: ok 27462
190: ok 27463
190: ok 27464
190: ok 27465
190: ok 27466
190: ok 27467
190: ok 27468
190: ok 27469
190: ok 27470
190: ok 27471
190: ok 27472
190: ok 27473
190: ok 27474
190: ok 27475
190: ok 27476
190: ok 27477
190: ok 27478
190: ok 27479
190: ok 27480
190: ok 27481
190: ok 27482
190: ok 27483
190: ok 27484
190: ok 27485
190: ok 27486
190: ok 27487
190: ok 27488
190: ok 27489
190: ok 27490
190: ok 27491
190: ok 27492
190: ok 27493
190: ok 27494
190: ok 27495
190: ok 27496
190: ok 27497
190: ok 27498
190: ok 27499
190: ok 27500
190: ok 27501
190: ok 27502
190: ok 27503
190: ok 27504
190: ok 27505
190: ok 27506
190: ok 27507
190: ok 27508
190: ok 27509
190: ok 27510
190: ok 27511
190: ok 27512
190: ok 27513
190: ok 27514
190: ok 27515
190: ok 27516
190: ok 27517
190: ok 27518
190: ok 27519
190: ok 27520
190: ok 27521
190: ok 27522
190: ok 27523
190: ok 27524
190: ok 27525
190: ok 27526
190: ok 27527
190: ok 27528
190: ok 27529
190: ok 27530
190: ok 27531
190: ok 27532
190: ok 27533
190: ok 27534
190: ok 27535
190: ok 27536
190: ok 27537
190: ok 27538
190: ok 27539
190: ok 27540
190: ok 27541
190: ok 27542
190: ok 27543
190: ok 27544
190: ok 27545
190: ok 27546
190: ok 27547
190: ok 27548
190: ok 27549
190: ok 27550
190: ok 27551
190: ok 27552
190: ok 27553
190: ok 27554
190: ok 27555
190: ok 27556
190: ok 27557
190: ok 27558
190: ok 27559
190: ok 27560
190: ok 27561
190: ok 27562
190: ok 27563
190: ok 27564
190: ok 27565
190: ok 27566
190: ok 27567
190: ok 27568
190: ok 27569
190: ok 27570
190: ok 27571
190: ok 27572
190: ok 27573
190: ok 27574
190: ok 27575
190: ok 27576
190: ok 27577
190: ok 27578
190: ok 27579
190: ok 27580
190: ok 27581
190: ok 27582
190: ok 27583
190: ok 27584
190: ok 27585
190: ok 27586
190: ok 27587
190: ok 27588
190: ok 27589
190: ok 27590
190: ok 27591
190: ok 27592
190: ok 27593
190: ok 27594
190: ok 27595
190: ok 27596
190: ok 27597
190: ok 27598
190: ok 27599
190: ok 27600
190: ok 27601
190: ok 27602
190: ok 27603
190: ok 27604
190: ok 27605
190: ok 27606
190: ok 27607
190: ok 27608
190: ok 27609
190: ok 27610
190: ok 27611
190: ok 27612
190: ok 27613
190: ok 27614
190: ok 27615
190: ok 27616
190: ok 27617
190: ok 27618
190: ok 27619
190: ok 27620
190: ok 27621
190: ok 27622
190: ok 27623
190: ok 27624
190: ok 27625
190: ok 27626
190: ok 27627
190: ok 27628
190: ok 27629
190: ok 27630
190: ok 27631
190: ok 27632
190: ok 27633
190: ok 27634
190: ok 27635
190: ok 27636
190: ok 27637
190: ok 27638
190: ok 27639
190: ok 27640
190: ok 27641
190: ok 27642
190: ok 27643
190: ok 27644
190: ok 27645
190: ok 27646
190: ok 27647
190: ok 27648
190: ok 27649
190: ok 27650
190: ok 27651
190: ok 27652
190: ok 27653
190: ok 27654
190: ok 27655
190: ok 27656
190: ok 27657
190: ok 27658
190: ok 27659
190: ok 27660
190: ok 27661
190: ok 27662
190: ok 27663
190: ok 27664
190: ok 27665
190: ok 27666
190: ok 27667
190: ok 27668
190: ok 27669
190: ok 27670
190: ok 27671
190: ok 27672
190: ok 27673
190: ok 27674
190: ok 27675
190: ok 27676
190: ok 27677
190: ok 27678
190: ok 27679
190: ok 27680
190: ok 27681
190: ok 27682
190: ok 27683
190: ok 27684
190: ok 27685
190: ok 27686
190: ok 27687
190: ok 27688
190: ok 27689
190: ok 27690
190: ok 27691
190: ok 27692
190: ok 27693
190: ok 27694
190: ok 27695
190: ok 27696
190: ok 27697
190: ok 27698
190: ok 27699
190: ok 27700
190: ok 27701
190: ok 27702
190: ok 27703
190: ok 27704
190: ok 27705
190: ok 27706
190: ok 27707
190: ok 27708
190: ok 27709
190: ok 27710
190: ok 27711
190: ok 27712
190: ok 27713
190: ok 27714
190: ok 27715
190: ok 27716
190: ok 27717
190: ok 27718
190: ok 27719
190: ok 27720
190: ok 27721
190: ok 27722
190: ok 27723
190: ok 27724
190: ok 27725
190: ok 27726
190: ok 27727
190: ok 27728
190: ok 27729
190: ok 27730
190: ok 27731
190: ok 27732
190: ok 27733
190: ok 27734
190: ok 27735
190: ok 27736
190: ok 27737
190: ok 27738
190: ok 27739
190: ok 27740
190: ok 27741
190: ok 27742
190: ok 27743
190: ok 27744
190: ok 27745
190: ok 27746
190: ok 27747
190: ok 27748
190: ok 27749
190: ok 27750
190: ok 27751
190: ok 27752
190: ok 27753
190: ok 27754
190: ok 27755
190: ok 27756
190: ok 27757
190: ok 27758
190: ok 27759
190: ok 27760
190: ok 27761
190: ok 27762
190: ok 27763
190: ok 27764
190: ok 27765
190: ok 27766
190: ok 27767
190: ok 27768
190: ok 27769
190: ok 27770
190: ok 27771
190: ok 27772
190: ok 27773
190: ok 27774
190: ok 27775
190: ok 27776
190: ok 27777
190: ok 27778
190: ok 27779
190: ok 27780
190: ok 27781
190: ok 27782
190: ok 27783
190: ok 27784
190: ok 27785
190: ok 27786
190: ok 27787
190: ok 27788
190: ok 27789
190: ok 27790
190: ok 27791
190: ok 27792
190: ok 27793
190: ok 27794
190: ok 27795
190: ok 27796
190: ok 27797
190: ok 27798
190: ok 27799
190: ok 27800
190: ok 27801
190: ok 27802
190: ok 27803
190: ok 27804
190: ok 27805
190: ok 27806
190: ok 27807
190: ok 27808
190: ok 27809
190: ok 27810
190: ok 27811
190: ok 27812
190: ok 27813
190: ok 27814
190: ok 27815
190: ok 27816
190: ok 27817
190: ok 27818
190: ok 27819
190: ok 27820
190: ok 27821
190: ok 27822
190: ok 27823
190: ok 27824
190: ok 27825
190: ok 27826
190: ok 27827
190: ok 27828
190: ok 27829
190: ok 27830
190: ok 27831
190: ok 27832
190: ok 27833
190: ok 27834
190: ok 27835
190: ok 27836
190: ok 27837
190: ok 27838
190: ok 27839
190: ok 27840
190: ok 27841
190: ok 27842
190: ok 27843
190: ok 27844
190: ok 27845
190: ok 27846
190: ok 27847
190: ok 27848
190: ok 27849
190: ok 27850
190: ok 27851
190: ok 27852
190: ok 27853
190: ok 27854
190: ok 27855
190: ok 27856
190: ok 27857
190: ok 27858
190: ok 27859
190: ok 27860
190: ok 27861
190: ok 27862
190: ok 27863
190: ok 27864
190: ok 27865
190: ok 27866
190: ok 27867
190: ok 27868
190: ok 27869
190: ok 27870
190: ok 27871
190: ok 27872
190: ok 27873
190: ok 27874
190: ok 27875
190: ok 27876
190: ok 27877
190: ok 27878
190: ok 27879
190: ok 27880
190: ok 27881
190: ok 27882
190: ok 27883
190: ok 27884
190: ok 27885
190: ok 27886
190: ok 27887
190: ok 27888
190: ok 27889
190: ok 27890
190: ok 27891
190: ok 27892
190: ok 27893
190: ok 27894
190: ok 27895
190: ok 27896
190: ok 27897
190: ok 27898
190: ok 27899
190: ok 27900
190: ok 27901
190: ok 27902
190: ok 27903
190: ok 27904
190: ok 27905
190: ok 27906
190: ok 27907
190: ok 27908
190: ok 27909
190: ok 27910
190: ok 27911
190: ok 27912
190: ok 27913
190: ok 27914
190: ok 27915
190: ok 27916
190: ok 27917
190: ok 27918
190: ok 27919
190: ok 27920
190: ok 27921
190: ok 27922
190: ok 27923
190: ok 27924
190: ok 27925
190: ok 27926
190: ok 27927
190: ok 27928
190: ok 27929
190: ok 27930
190: ok 27931
190: ok 27932
190: ok 27933
190: ok 27934
190: ok 27935
190: ok 27936
190: ok 27937
190: ok 27938
190: ok 27939
190: ok 27940
190: ok 27941
190: ok 27942
190: ok 27943
190: ok 27944
190: ok 27945
190: ok 27946
190: ok 27947
190: ok 27948
190: ok 27949
190: ok 27950
190: ok 27951
190: ok 27952
190: ok 27953
190: ok 27954
190: ok 27955
190: ok 27956
190: ok 27957
190: ok 27958
190: ok 27959
190: ok 27960
190: ok 27961
190: ok 27962
190: ok 27963
190: ok 27964
190: ok 27965
190: ok 27966
190: ok 27967
190: ok 27968
190: ok 27969
190: ok 27970
190: ok 27971
190: ok 27972
190: ok 27973
190: ok 27974
190: ok 27975
190: ok 27976
190: ok 27977
190: ok 27978
190: ok 27979
190: ok 27980
190: ok 27981
190: ok 27982
190: ok 27983
190: ok 27984
190: ok 27985
190: ok 27986
190: ok 27987
190: ok 27988
190: ok 27989
190: ok 27990
190: ok 27991
190: ok 27992
190: ok 27993
190: ok 27994
190: ok 27995
190: ok 27996
190: ok 27997
190: ok 27998
190: ok 27999
190: ok 28000
190: ok 28001
190: ok 28002
190: ok 28003
190: ok 28004
190: ok 28005
190: ok 28006
190: ok 28007
190: ok 28008
190: ok 28009
190: ok 28010
190: ok 28011
190: ok 28012
190: ok 28013
190: ok 28014
190: ok 28015
190: ok 28016
190: ok 28017
190: ok 28018
190: ok 28019
190: ok 28020
190: ok 28021
190: ok 28022
190: ok 28023
190: ok 28024
190: ok 28025
190: ok 28026
190: ok 28027
190: ok 28028
190: ok 28029
190: ok 28030
190: ok 28031
190: ok 28032
190: ok 28033
190: ok 28034
190: ok 28035
190: ok 28036
190: ok 28037
190: ok 28038
190: ok 28039
190: ok 28040
190: ok 28041
190: ok 28042
190: ok 28043
190: ok 28044
190: ok 28045
190: ok 28046
190: ok 28047
190: ok 28048
190: ok 28049
190: ok 28050
190: ok 28051
190: ok 28052
190: ok 28053
190: ok 28054
190: ok 28055
190: ok 28056
190: ok 28057
190: ok 28058
190: ok 28059
190: ok 28060
190: ok 28061
190: ok 28062
190: ok 28063
190: ok 28064
190: ok 28065
190: ok 28066
190: ok 28067
190: ok 28068
190: ok 28069
190: ok 28070
190: ok 28071
190: ok 28072
190: ok 28073
190: ok 28074
190: ok 28075
190: ok 28076
190: ok 28077
190: ok 28078
190: ok 28079
190: ok 28080
190: ok 28081
190: ok 28082
190: ok 28083
190: ok 28084
190: ok 28085
190: ok 28086
190: ok 28087
190: ok 28088
190: ok 28089
190: ok 28090
190: ok 28091
190: ok 28092
190: ok 28093
190: ok 28094
190: ok 28095
190: ok 28096
190: ok 28097
190: ok 28098
190: ok 28099
190: ok 28100
190: ok 28101
190: ok 28102
190: ok 28103
190: ok 28104
190: ok 28105
190: ok 28106
190: ok 28107
190: ok 28108
190: ok 28109
190: ok 28110
190: ok 28111
190: ok 28112
190: ok 28113
190: ok 28114
190: ok 28115
190: ok 28116
190: ok 28117
190: ok 28118
190: ok 28119
190: ok 28120
190: ok 28121
190: ok 28122
190: ok 28123
190: ok 28124
190: ok 28125
190: ok 28126
190: ok 28127
190: ok 28128
190: ok 28129
190: ok 28130
190: ok 28131
190: ok 28132
190: ok 28133
190: ok 28134
190: ok 28135
190: ok 28136
190: ok 28137
190: ok 28138
190: ok 28139
190: ok 28140
190: ok 28141
190: ok 28142
190: ok 28143
190: ok 28144
190: ok 28145
190: ok 28146
190: ok 28147
190: ok 28148
190: ok 28149
190: ok 28150
190: ok 28151
190: ok 28152
190: ok 28153
190: ok 28154
190: ok 28155
190: ok 28156
190: ok 28157
190: ok 28158
190: ok 28159
190: ok 28160
190: ok 28161
190: ok 28162
190: ok 28163
190: ok 28164
190: ok 28165
190: ok 28166
190: ok 28167
190: ok 28168
190: ok 28169
190: ok 28170
190: ok 28171
190: ok 28172
190: ok 28173
190: ok 28174
190: ok 28175
190: ok 28176
190: ok 28177
190: ok 28178
190: ok 28179
190: ok 28180
190: ok 28181
190: ok 28182
190: ok 28183
190: ok 28184
190: ok 28185
190: ok 28186
190: ok 28187
190: ok 28188
190: ok 28189
190: ok 28190
190: ok 28191
190: ok 28192
190: ok 28193
190: ok 28194
190: ok 28195
190: ok 28196
190: ok 28197
190: ok 28198
190: ok 28199
190: ok 28200
190: ok 28201
190: ok 28202
190: ok 28203
190: ok 28204
190: ok 28205
190: ok 28206
190: ok 28207
190: ok 28208
190: ok 28209
190: ok 28210
190: ok 28211
190: ok 28212
190: ok 28213
190: ok 28214
190: ok 28215
190: ok 28216
190: ok 28217
190: ok 28218
190: ok 28219
190: ok 28220
190: ok 28221
190: ok 28222
190: ok 28223
190: ok 28224
190: ok 28225
190: ok 28226
190: ok 28227
190: ok 28228
190: ok 28229
190: ok 28230
190: ok 28231
190: ok 28232
190: ok 28233
190: ok 28234
190: ok 28235
190: ok 28236
190: ok 28237
190: ok 28238
190: ok 28239
190: ok 28240
190: ok 28241
190: ok 28242
190: ok 28243
190: ok 28244
190: ok 28245
190: ok 28246
190: ok 28247
190: ok 28248
190: ok 28249
190: ok 28250
190: ok 28251
190: ok 28252
190: ok 28253
190: ok 28254
190: ok 28255
190: ok 28256
190: ok 28257
190: ok 28258
190: ok 28259
190: ok 28260
190: ok 28261
190: ok 28262
190: ok 28263
190: ok 28264
190: ok 28265
190: ok 28266
190: ok 28267
190: ok 28268
190: ok 28269
190: ok 28270
190: ok 28271
190: ok 28272
190: ok 28273
190: ok 28274
190: ok 28275
190: ok 28276
190: ok 28277
190: ok 28278
190: ok 28279
190: ok 28280
190: ok 28281
190: ok 28282
190: ok 28283
190: ok 28284
190: ok 28285
190: ok 28286
190: ok 28287
190: ok 28288
190: ok 28289
190: ok 28290
190: ok 28291
190: ok 28292
190: ok 28293
190: ok 28294
190: ok 28295
190: ok 28296
190: ok 28297
190: ok 28298
190: ok 28299
190: ok 28300
190: ok 28301
190: ok 28302
190: ok 28303
190: ok 28304
190: ok 28305
190: ok 28306
190: ok 28307
190: ok 28308
190: ok 28309
190: ok 28310
190: ok 28311
190: ok 28312
190: ok 28313
190: ok 28314
190: ok 28315
190: ok 28316
190: ok 28317
190: ok 28318
190: ok 28319
190: ok 28320
190: ok 28321
190: ok 28322
190: ok 28323
190: ok 28324
190: ok 28325
190: ok 28326
190: ok 28327
190: ok 28328
190: ok 28329
190: ok 28330
190: ok 28331
190: ok 28332
190: ok 28333
190: ok 28334
190: ok 28335
190: ok 28336
190: ok 28337
190: ok 28338
190: ok 28339
190: ok 28340
190: ok 28341
190: ok 28342
190: ok 28343
190: ok 28344
190: ok 28345
190: ok 28346
190: ok 28347
190: ok 28348
190: ok 28349
190: ok 28350
190: ok 28351
190: ok 28352
190: ok 28353
190: ok 28354
190: ok 28355
190: ok 28356
190: ok 28357
190: ok 28358
190: ok 28359
190: ok 28360
190: ok 28361
190: ok 28362
190: ok 28363
190: ok 28364
190: ok 28365
190: ok 28366
190: ok 28367
190: ok 28368
190: ok 28369
190: ok 28370
190: ok 28371
190: ok 28372
190: ok 28373
190: ok 28374
190: ok 28375
190: ok 28376
190: ok 28377
190: ok 28378
190: ok 28379
190: ok 28380
190: ok 28381
190: ok 28382
190: ok 28383
190: ok 28384
190: ok 28385
190: ok 28386
190: ok 28387
190: ok 28388
190: ok 28389
190: ok 28390
190: ok 28391
190: ok 28392
190: ok 28393
190: ok 28394
190: ok 28395
190: ok 28396
190: ok 28397
190: ok 28398
190: ok 28399
190: ok 28400
190: ok 28401
190: ok 28402
190: ok 28403
190: ok 28404
190: ok 28405
190: ok 28406
190: ok 28407
190: ok 28408
190: ok 28409
190: ok 28410
190: ok 28411
190: ok 28412
190: ok 28413
190: ok 28414
190: ok 28415
190: ok 28416
190: ok 28417
190: ok 28418
190: ok 28419
190: ok 28420
190: ok 28421
190: ok 28422
190: ok 28423
190: ok 28424
190: ok 28425
190: ok 28426
190: ok 28427
190: ok 28428
190: ok 28429
190: ok 28430
190: ok 28431
190: ok 28432
190: ok 28433
190: ok 28434
190: ok 28435
190: ok 28436
190: ok 28437
190: ok 28438
190: ok 28439
190: ok 28440
190: ok 28441
190: ok 28442
190: ok 28443
190: ok 28444
190: ok 28445
190: ok 28446
190: ok 28447
190: ok 28448
190: ok 28449
190: ok 28450
190: ok 28451
190: ok 28452
190: ok 28453
190: ok 28454
190: ok 28455
190: ok 28456
190: ok 28457
190: ok 28458
190: ok 28459
190: ok 28460
190: ok 28461
190: ok 28462
190: ok 28463
190: ok 28464
190: ok 28465
190: ok 28466
190: ok 28467
190: ok 28468
190: ok 28469
190: ok 28470
190: ok 28471
190: ok 28472
190: ok 28473
190: ok 28474
190: ok 28475
190: ok 28476
190: ok 28477
190: ok 28478
190: ok 28479
190: ok 28480
190: ok 28481
190: ok 28482
190: ok 28483
190: ok 28484
190: ok 28485
190: ok 28486
190: ok 28487
190: ok 28488
190: ok 28489
190: ok 28490
190: ok 28491
190: ok 28492
190: ok 28493
190: ok 28494
190: ok 28495
190: ok 28496
190: ok 28497
190: ok 28498
190: ok 28499
190: ok 28500
190: ok 28501
190: ok 28502
190: ok 28503
190: ok 28504
190: ok 28505
190: ok 28506
190: ok 28507
190: ok 28508
190: ok 28509
190: ok 28510
190: ok 28511
190: ok 28512
190: ok 28513
190: ok 28514
190: ok 28515
190: ok 28516
190: ok 28517
190: ok 28518
190: ok 28519
190: ok 28520
190: ok 28521
190: ok 28522
190: ok 28523
190: ok 28524
190: ok 28525
190: ok 28526
190: ok 28527
190: ok 28528
190: ok 28529
190: ok 28530
190: ok 28531
190: ok 28532
190: ok 28533
190: ok 28534
190: ok 28535
190: ok 28536
190: ok 28537
190: ok 28538
190: ok 28539
190: ok 28540
190: ok 28541
190: ok 28542
190: ok 28543
190: ok 28544
190: ok 28545
190: ok 28546
190: ok 28547
190: ok 28548
190: ok 28549
190: ok 28550
190: ok 28551
190: ok 28552
190: ok 28553
190: ok 28554
190: ok 28555
190: ok 28556
190: ok 28557
190: ok 28558
190: ok 28559
190: ok 28560
190: ok 28561
190: ok 28562
190: ok 28563
190: ok 28564
190: ok 28565
190: ok 28566
190: ok 28567
190: ok 28568
190: ok 28569
190: ok 28570
190: ok 28571
190: ok 28572
190: ok 28573
190: ok 28574
190: ok 28575
190: ok 28576
190: ok 28577
190: ok 28578
190: ok 28579
190: ok 28580
190: ok 28581
190: ok 28582
190: ok 28583
190: ok 28584
190: ok 28585
190: ok 28586
190: ok 28587
190: ok 28588
190: ok 28589
190: ok 28590
190: ok 28591
190: ok 28592
190: ok 28593
190: ok 28594
190: ok 28595
190: ok 28596
190: ok 28597
190: ok 28598
190: ok 28599
190: ok 28600
190: ok 28601
190: ok 28602
190: ok 28603
190: ok 28604
190: ok 28605
190: ok 28606
190: ok 28607
190: ok 28608
190: ok 28609
190: ok 28610
190: ok 28611
190: ok 28612
190: ok 28613
190: ok 28614
190: ok 28615
190: ok 28616
190: ok 28617
190: ok 28618
190: ok 28619
190: ok 28620
190: ok 28621
190: ok 28622
190: ok 28623
190: ok 28624
190: ok 28625
190: ok 28626
190: ok 28627
190: ok 28628
190: ok 28629
190: ok 28630
190: ok 28631
190: ok 28632
190: ok 28633
190: ok 28634
190: ok 28635
190: ok 28636
190: ok 28637
190: ok 28638
190: ok 28639
190: ok 28640
190: ok 28641
190: ok 28642
190: ok 28643
190: ok 28644
190: ok 28645
190: ok 28646
190: ok 28647
190: ok 28648
190: ok 28649
190: ok 28650
190: ok 28651
190: ok 28652
190: ok 28653
190: ok 28654
190: ok 28655
190: ok 28656
190: ok 28657
190: ok 28658
190: ok 28659
190: ok 28660
190: ok 28661
190: ok 28662
190: ok 28663
190: ok 28664
190: ok 28665
190: ok 28666
190: ok 28667
190: ok 28668
190: ok 28669
190: ok 28670
190: ok 28671
190: ok 28672
190: ok 28673
190: ok 28674
190: ok 28675
190: ok 28676
190: ok 28677
190: ok 28678
190: ok 28679
190: ok 28680
190: ok 28681
190: ok 28682
190: ok 28683
190: ok 28684
190: ok 28685
190: ok 28686
190: ok 28687
190: ok 28688
190: ok 28689
190: ok 28690
190: ok 28691
190: ok 28692
190: ok 28693
190: ok 28694
190: ok 28695
190: ok 28696
190: ok 28697
190: ok 28698
190: ok 28699
190: ok 28700
190: ok 28701
190: ok 28702
190: ok 28703
190: ok 28704
190: ok 28705
190: ok 28706
190: ok 28707
190: ok 28708
190: ok 28709
190: ok 28710
190: ok 28711
190: ok 28712
190: ok 28713
190: ok 28714
190: ok 28715
190: ok 28716
190: ok 28717
190: ok 28718
190: ok 28719
190: ok 28720
190: ok 28721
190: ok 28722
190: ok 28723
190: ok 28724
190: ok 28725
190: ok 28726
190: ok 28727
190: ok 28728
190: ok 28729
190: ok 28730
190: ok 28731
190: ok 28732
190: ok 28733
190: ok 28734
190: ok 28735
190: ok 28736
190: ok 28737
190: ok 28738
190: ok 28739
190: ok 28740
190: ok 28741
190: ok 28742
190: ok 28743
190: ok 28744
190: ok 28745
190: ok 28746
190: ok 28747
190: ok 28748
190: ok 28749
190: ok 28750
190: ok 28751
190: ok 28752
190: ok 28753
190: ok 28754
190: ok 28755
190: ok 28756
190: ok 28757
190: ok 28758
190: ok 28759
190: ok 28760
190: ok 28761
190: ok 28762
190: ok 28763
190: ok 28764
190: ok 28765
190: ok 28766
190: ok 28767
190: ok 28768
190: ok 28769
190: ok 28770
190: ok 28771
190: ok 28772
190: ok 28773
190: ok 28774
190: ok 28775
190: ok 28776
190: ok 28777
190: ok 28778
190: ok 28779
190: ok 28780
190: ok 28781
190: ok 28782
190: ok 28783
190: ok 28784
190: ok 28785
190: ok 28786
190: ok 28787
190: ok 28788
190: ok 28789
190: ok 28790
190: ok 28791
190: ok 28792
190: ok 28793
190: ok 28794
190: ok 28795
190: ok 28796
190: ok 28797
190: ok 28798
190: ok 28799
190: ok 28800
190: ok 28801
190: ok 28802
190: ok 28803
190: ok 28804
190: ok 28805
190: ok 28806
190: ok 28807
190: ok 28808
190: ok 28809
190: ok 28810
190: ok 28811
190: ok 28812
190: ok 28813
190: ok 28814
190: ok 28815
190: ok 28816
190: ok 28817
190: ok 28818
190: ok 28819
190: ok 28820
190: ok 28821
190: ok 28822
190: ok 28823
190: ok 28824
190: ok 28825
190: ok 28826
190: ok 28827
190: ok 28828
190: ok 28829
190: ok 28830
190: ok 28831
190: ok 28832
190: ok 28833
190: ok 28834
190: ok 28835
190: ok 28836
190: ok 28837
190: ok 28838
190: ok 28839
190: ok 28840
190: ok 28841
190: ok 28842
190: ok 28843
190: ok 28844
190: ok 28845
190: ok 28846
190: ok 28847
190: ok 28848
190: ok 28849
190: ok 28850
190: ok 28851
190: ok 28852
190: ok 28853
190: ok 28854
190: ok 28855
190: ok 28856
190: ok 28857
190: ok 28858
190: ok 28859
190: ok 28860
190: ok 28861
190: ok 28862
190: ok 28863
190: ok 28864
190: ok 28865
190: ok 28866
190: ok 28867
190: ok 28868
190: ok 28869
190: ok 28870
190: ok 28871
190: ok 28872
190: ok 28873
190: ok 28874
190: ok 28875
190: ok 28876
190: ok 28877
190: ok 28878
190: ok 28879
190: ok 28880
190: ok 28881
190: ok 28882
190: ok 28883
190: ok 28884
190: ok 28885
190: ok 28886
190: ok 28887
190: ok 28888
190: ok 28889
190: ok 28890
190: ok 28891
190: ok 28892
190: ok 28893
190: ok 28894
190: ok 28895
190: ok 28896
190: ok 28897
190: ok 28898
190: ok 28899
190: ok 28900
190: ok 28901
190: ok 28902
190: ok 28903
190: ok 28904
190: ok 28905
190: ok 28906
190: ok 28907
190: ok 28908
190: ok 28909
190: ok 28910
190: ok 28911
190: ok 28912
190: ok 28913
190: ok 28914
190: ok 28915
190: ok 28916
190: ok 28917
190: ok 28918
190: ok 28919
190: ok 28920
190: ok 28921
190: ok 28922
190: ok 28923
190: ok 28924
190: ok 28925
190: ok 28926
190: ok 28927
190: ok 28928
190: ok 28929
190: ok 28930
190: ok 28931
190: ok 28932
190: ok 28933
190: ok 28934
190: ok 28935
190: ok 28936
190: ok 28937
190: ok 28938
190: ok 28939
190: ok 28940
190: ok 28941
190: ok 28942
190: ok 28943
190: ok 28944
190: ok 28945
190: ok 28946
190: ok 28947
190: ok 28948
190: ok 28949
190: ok 28950
190: ok 28951
190: ok 28952
190: ok 28953
190: ok 28954
190: ok 28955
190: ok 28956
190: ok 28957
190: ok 28958
190: ok 28959
190: ok 28960
190: ok 28961
190: ok 28962
190: ok 28963
190: ok 28964
190: ok 28965
190: ok 28966
190: ok 28967
190: ok 28968
190: ok 28969
190: ok 28970
190: ok 28971
190: ok 28972
190: ok 28973
190: ok 28974
190: ok 28975
190: ok 28976
190: ok 28977
190: ok 28978
190: ok 28979
190: ok 28980
190: ok 28981
190: ok 28982
190: ok 28983
190: ok 28984
190: ok 28985
190: ok 28986
190: ok 28987
190: ok 28988
190: ok 28989
190: ok 28990
190: ok 28991
190: ok 28992
190: ok 28993
190: ok 28994
190: ok 28995
190: ok 28996
190: ok 28997
190: ok 28998
190: ok 28999
190: ok 29000
190: ok 29001
190: ok 29002
190: ok 29003
190: ok 29004
190: ok 29005
190: ok 29006
190: ok 29007
190: ok 29008
190: ok 29009
190: ok 29010
190: ok 29011
190: ok 29012
190: ok 29013
190: ok 29014
190: ok 29015
190: ok 29016
190: ok 29017
190: ok 29018
190: ok 29019
190: ok 29020
190: ok 29021
190: ok 29022
190: ok 29023
190: ok 29024
190: ok 29025
190: ok 29026
190: ok 29027
190: ok 29028
190: ok 29029
190: ok 29030
190: ok 29031
190: ok 29032
190: ok 29033
190: ok 29034
190: ok 29035
190: ok 29036
190: ok 29037
190: ok 29038
190: ok 29039
190: ok 29040
190: ok 29041
190: ok 29042
190: ok 29043
190: ok 29044
190: ok 29045
190: ok 29046
190: ok 29047
190: ok 29048
190: ok 29049
190: ok 29050
190: ok 29051
190: ok 29052
190: ok 29053
190: ok 29054
190: ok 29055
190: ok 29056
190: ok 29057
190: ok 29058
190: ok 29059
190: ok 29060
190: ok 29061
190: ok 29062
190: ok 29063
190: ok 29064
190: ok 29065
190: ok 29066
190: ok 29067
190: ok 29068
190: ok 29069
190: ok 29070
190: ok 29071
190: ok 29072
190: ok 29073
190: ok 29074
190: ok 29075
190: ok 29076
190: ok 29077
190: ok 29078
190: ok 29079
190: ok 29080
190: ok 29081
190: ok 29082
190: ok 29083
190: ok 29084
190: ok 29085
190: ok 29086
190: ok 29087
190: ok 29088
190: ok 29089
190: ok 29090
190: ok 29091
190: ok 29092
190: ok 29093
190: ok 29094
190: ok 29095
190: ok 29096
190: ok 29097
190: ok 29098
190: ok 29099
190: ok 29100
190: ok 29101
190: ok 29102
190: ok 29103
190: ok 29104
190: ok 29105
190: ok 29106
190: ok 29107
190: ok 29108
190: ok 29109
190: ok 29110
190: ok 29111
190: ok 29112
190: ok 29113
190: ok 29114
190: ok 29115
190: ok 29116
190: ok 29117
190: ok 29118
190: ok 29119
190: ok 29120
190: ok 29121
190: ok 29122
190: ok 29123
190: ok 29124
190: ok 29125
190: ok 29126
190: ok 29127
190: ok 29128
190: ok 29129
190: ok 29130
190: ok 29131
190: ok 29132
190: ok 29133
190: ok 29134
190: ok 29135
190: ok 29136
190: ok 29137
190: ok 29138
190: ok 29139
190: ok 29140
190: ok 29141
190: ok 29142
190: ok 29143
190: ok 29144
190: ok 29145
190: ok 29146
190: ok 29147
190: ok 29148
190: ok 29149
190: ok 29150
190: ok 29151
190: ok 29152
190: ok 29153
190: ok 29154
190: ok 29155
190: ok 29156
190: ok 29157
190: ok 29158
190: ok 29159
190: ok 29160
190: ok 29161
190: ok 29162
190: ok 29163
190: ok 29164
190: ok 29165
190: ok 29166
190: ok 29167
190: ok 29168
190: ok 29169
190: ok 29170
190: ok 29171
190: ok 29172
190: ok 29173
190: ok 29174
190: ok 29175
190: ok 29176
190: ok 29177
190: ok 29178
190: ok 29179
190: ok 29180
190: ok 29181
190: ok 29182
190: ok 29183
190: ok 29184
190: ok 29185
190: ok 29186
190: ok 29187
190: ok 29188
190: ok 29189
190: ok 29190
190: ok 29191
190: ok 29192
190: ok 29193
190: ok 29194
190: ok 29195
190: ok 29196
190: ok 29197
190: ok 29198
190: ok 29199
190: ok 29200
190: ok 29201
190: ok 29202
190: ok 29203
190: ok 29204
190: ok 29205
190: ok 29206
190: ok 29207
190: ok 29208
190: ok 29209
190: ok 29210
190: ok 29211
190: ok 29212
190: ok 29213
190: ok 29214
190: ok 29215
190: ok 29216
190: ok 29217
190: ok 29218
190: ok 29219
190: ok 29220
190: ok 29221
190: ok 29222
190: ok 29223
190: ok 29224
190: ok 29225
190: ok 29226
190: ok 29227
190: ok 29228
190: ok 29229
190: ok 29230
190: ok 29231
190: ok 29232
190: ok 29233
190: ok 29234
190: ok 29235
190: ok 29236
190: ok 29237
190: ok 29238
190: ok 29239
190: ok 29240
190: ok 29241
190: ok 29242
190: ok 29243
190: ok 29244
190: ok 29245
190: ok 29246
190: ok 29247
190: ok 29248
190: ok 29249
190: ok 29250
190: ok 29251
190: ok 29252
190: ok 29253
190: ok 29254
190: ok 29255
190: ok 29256
190: ok 29257
190: ok 29258
190: ok 29259
190: ok 29260
190: ok 29261
190: ok 29262
190: ok 29263
190: ok 29264
190: ok 29265
190: ok 29266
190: ok 29267
190: ok 29268
190: ok 29269
190: ok 29270
190: ok 29271
190: ok 29272
190: ok 29273
190: ok 29274
190: ok 29275
190: ok 29276
190: ok 29277
190: ok 29278
190: ok 29279
190: ok 29280
190: ok 29281
190: ok 29282
190: ok 29283
190: ok 29284
190: ok 29285
190: ok 29286
190: ok 29287
190: ok 29288
190: ok 29289
190: ok 29290
190: ok 29291
190: ok 29292
190: ok 29293
190: ok 29294
190: ok 29295
190: ok 29296
190: ok 29297
190: ok 29298
190: ok 29299
190: ok 29300
190: ok 29301
190: ok 29302
190: ok 29303
190: ok 29304
190: ok 29305
190: ok 29306
190: ok 29307
190: ok 29308
190: ok 29309
190: ok 29310
190: ok 29311
190: ok 29312
190: ok 29313
190: ok 29314
190: ok 29315
190: ok 29316
190: ok 29317
190: ok 29318
190: ok 29319
190: ok 29320
190: ok 29321
190: ok 29322
190: ok 29323
190: ok 29324
190: ok 29325
190: ok 29326
190: ok 29327
190: ok 29328
190: ok 29329
190: ok 29330
190: ok 29331
190: ok 29332
190: ok 29333
190: ok 29334
190: ok 29335
190: ok 29336
190: ok 29337
190: ok 29338
190: ok 29339
190: ok 29340
190: ok 29341
190: ok 29342
190: ok 29343
190: ok 29344
190: ok 29345
190: ok 29346
190: ok 29347
190: ok 29348
190: ok 29349
190: ok 29350
190: ok 29351
190: ok 29352
190: ok 29353
190: ok 29354
190: ok 29355
190: ok 29356
190: ok 29357
190: ok 29358
190: ok 29359
190: ok 29360
190: ok 29361
190: ok 29362
190: ok 29363
190: ok 29364
190: ok 29365
190: ok 29366
190: ok 29367
190: ok 29368
190: ok 29369
190: ok 29370
190: ok 29371
190: ok 29372
190: ok 29373
190: ok 29374
190: ok 29375
190: ok 29376
190: ok 29377
190: ok 29378
190: ok 29379
190: ok 29380
190: ok 29381
190: ok 29382
190: ok 29383
190: ok 29384
190: ok 29385
190: ok 29386
190: ok 29387
190: ok 29388
190: ok 29389
190: ok 29390
190: ok 29391
190: ok 29392
190: ok 29393
190: ok 29394
190: ok 29395
190: ok 29396
190: ok 29397
190: ok 29398
190: ok 29399
190: ok 29400
190: ok 29401
190: ok 29402
190: ok 29403
190: ok 29404
190: ok 29405
190: ok 29406
190: ok 29407
190: ok 29408
190: ok 29409
190: ok 29410
190: ok 29411
190: ok 29412
190: ok 29413
190: ok 29414
190: ok 29415
190: ok 29416
190: ok 29417
190: ok 29418
190: ok 29419
190: ok 29420
190: ok 29421
190: ok 29422
190: ok 29423
190: ok 29424
190: ok 29425
190: ok 29426
190: ok 29427
190: ok 29428
190: ok 29429
190: ok 29430
190: ok 29431
190: ok 29432
190: ok 29433
190: ok 29434
190: ok 29435
190: ok 29436
190: ok 29437
190: ok 29438
190: ok 29439
190: ok 29440
190: ok 29441
190: ok 29442
190: ok 29443
190: ok 29444
190: ok 29445
190: ok 29446
190: ok 29447
190: ok 29448
190: ok 29449
190: ok 29450
190: ok 29451
190: ok 29452
190: ok 29453
190: ok 29454
190: ok 29455
190: ok 29456
190: ok 29457
190: ok 29458
190: ok 29459
190: ok 29460
190: ok 29461
190: ok 29462
190: ok 29463
190: ok 29464
190: ok 29465
190: ok 29466
190: ok 29467
190: ok 29468
190: ok 29469
190: ok 29470
190: ok 29471
190: ok 29472
190: ok 29473
190: ok 29474
190: ok 29475
190: ok 29476
190: ok 29477
190: ok 29478
190: ok 29479
190: ok 29480
190: ok 29481
190: ok 29482
190: ok 29483
190: ok 29484
190: ok 29485
190: ok 29486
190: ok 29487
190: ok 29488
190: ok 29489
190: ok 29490
190: ok 29491
190: ok 29492
190: ok 29493
190: ok 29494
190: ok 29495
190: ok 29496
190: ok 29497
190: ok 29498
190: ok 29499
190: ok 29500
190: ok 29501
190: ok 29502
190: ok 29503
190: ok 29504
190: ok 29505
190: ok 29506
190: ok 29507
190: ok 29508
190: ok 29509
190: ok 29510
190: ok 29511
190: ok 29512
190: ok 29513
190: ok 29514
190: ok 29515
190: ok 29516
190: ok 29517
190: ok 29518
190: ok 29519
190: ok 29520
190: ok 29521
190: ok 29522
190: ok 29523
190: ok 29524
190: ok 29525
190: ok 29526
190: ok 29527
190: ok 29528
190: ok 29529
190: ok 29530
190: ok 29531
190: ok 29532
190: ok 29533
190: ok 29534
190: ok 29535
190: ok 29536
190: ok 29537
190: ok 29538
190: ok 29539
190: ok 29540
190: ok 29541
190: ok 29542
190: ok 29543
190: ok 29544
190: ok 29545
190: ok 29546
190: ok 29547
190: ok 29548
190: ok 29549
190: ok 29550
190: ok 29551
190: ok 29552
190: ok 29553
190: ok 29554
190: ok 29555
190: ok 29556
190: ok 29557
190: ok 29558
190: ok 29559
190: ok 29560
190: ok 29561
190: ok 29562
190: ok 29563
190: ok 29564
190: ok 29565
190: ok 29566
190: ok 29567
190: ok 29568
190: ok 29569
190: ok 29570
190: ok 29571
190: ok 29572
190: ok 29573
190: ok 29574
190: ok 29575
190: ok 29576
190: ok 29577
190: ok 29578
190: ok 29579
190: ok 29580
190: ok 29581
190: ok 29582
190: ok 29583
190: ok 29584
190: ok 29585
190: ok 29586
190: ok 29587
190: ok 29588
190: ok 29589
190: ok 29590
190: ok 29591
190: ok 29592
190: ok 29593
190: ok 29594
190: ok 29595
190: ok 29596
190: ok 29597
190: ok 29598
190: ok 29599
190: ok 29600
190: ok 29601
190: ok 29602
190: ok 29603
190: ok 29604
190: ok 29605
190: ok 29606
190: ok 29607
190: ok 29608
190: ok 29609
190: ok 29610
190: ok 29611
190: ok 29612
190: ok 29613
190: ok 29614
190: ok 29615
190: ok 29616
190: ok 29617
190: ok 29618
190: ok 29619
190: ok 29620
190: ok 29621
190: ok 29622
190: ok 29623
190: ok 29624
190: ok 29625
190: ok 29626
190: ok 29627
190: ok 29628
190: ok 29629
190: ok 29630
190: ok 29631
190: ok 29632
190: ok 29633
190: ok 29634
190: ok 29635
190: ok 29636
190: ok 29637
190: ok 29638
190: ok 29639
190: ok 29640
190: ok 29641
190: ok 29642
190: ok 29643
190: ok 29644
190: ok 29645
190: ok 29646
190: ok 29647
190: ok 29648
190: ok 29649
190: ok 29650
190: ok 29651
190: ok 29652
190: ok 29653
190: ok 29654
190: ok 29655
190: ok 29656
190: ok 29657
190: ok 29658
190: ok 29659
190: ok 29660
190: ok 29661
190: ok 29662
190: ok 29663
190: ok 29664
190: ok 29665
190: ok 29666
190: ok 29667
190: ok 29668
190: ok 29669
190: ok 29670
190: ok 29671
190: ok 29672
190: ok 29673
190: ok 29674
190: ok 29675
190: ok 29676
190: ok 29677
190: ok 29678
190: ok 29679
190: ok 29680
190: ok 29681
190: ok 29682
190: ok 29683
190: ok 29684
190: ok 29685
190: ok 29686
190: ok 29687
190: ok 29688
190: ok 29689
190: ok 29690
190: ok 29691
190: ok 29692
190: ok 29693
190: ok 29694
190: ok 29695
190: ok 29696
190: ok 29697
190: ok 29698
190: ok 29699
190: ok 29700
190: ok 29701
190: ok 29702
190: ok 29703
190: ok 29704
190: ok 29705
190: ok 29706
190: ok 29707
190: ok 29708
190: ok 29709
190: ok 29710
190: ok 29711
190: ok 29712
190: ok 29713
190: ok 29714
190: ok 29715
190: ok 29716
190: ok 29717
190: ok 29718
190: ok 29719
190: ok 29720
190: ok 29721
190: ok 29722
190: ok 29723
190: ok 29724
190: ok 29725
190: ok 29726
190: ok 29727
190: ok 29728
190: ok 29729
190: ok 29730
190: ok 29731
190: ok 29732
190: ok 29733
190: ok 29734
190: ok 29735
190: ok 29736
190: ok 29737
190: ok 29738
190: ok 29739
190: ok 29740
190: ok 29741
190: ok 29742
190: ok 29743
190: ok 29744
190: ok 29745
190: ok 29746
190: ok 29747
190: ok 29748
190: ok 29749
190: ok 29750
190: ok 29751
190: ok 29752
190: ok 29753
190: ok 29754
190: ok 29755
190: ok 29756
190: ok 29757
190: ok 29758
190: ok 29759
190: ok 29760
190: ok 29761
190: ok 29762
190: ok 29763
190: ok 29764
190: ok 29765
190: ok 29766
190: ok 29767
190: ok 29768
190: ok 29769
190: ok 29770
190: ok 29771
190: ok 29772
190: ok 29773
190: ok 29774
190: ok 29775
190: ok 29776
190: ok 29777
190: ok 29778
190: ok 29779
190: ok 29780
190: ok 29781
190: ok 29782
190: ok 29783
190: ok 29784
190: ok 29785
190: ok 29786
190: ok 29787
190: ok 29788
190: ok 29789
190: ok 29790
190: ok 29791
190: ok 29792
190: ok 29793
190: ok 29794
190: ok 29795
190: ok 29796
190: ok 29797
190: ok 29798
190: ok 29799
190: ok 29800
190: ok 29801
190: ok 29802
190: ok 29803
190: ok 29804
190: ok 29805
190: ok 29806
190: ok 29807
190: ok 29808
190: ok 29809
190: ok 29810
190: ok 29811
190: ok 29812
190: ok 29813
190: ok 29814
190: ok 29815
190: ok 29816
190: ok 29817
190: ok 29818
190: ok 29819
190: ok 29820
190: ok 29821
190: ok 29822
190: ok 29823
190: ok 29824
190: ok 29825
190: ok 29826
190: ok 29827
190: ok 29828
190: ok 29829
190: ok 29830
190: ok 29831
190: ok 29832
190: ok 29833
190: ok 29834
190: ok 29835
190: ok 29836
190: ok 29837
190: ok 29838
190: ok 29839
190: ok 29840
190: ok 29841
190: ok 29842
190: ok 29843
190: ok 29844
190: ok 29845
190: ok 29846
190: ok 29847
190: ok 29848
190: ok 29849
190: ok 29850
190: ok 29851
190: ok 29852
190: ok 29853
190: ok 29854
190: ok 29855
190: ok 29856
190: ok 29857
190: ok 29858
190: ok 29859
190: ok 29860
190: ok 29861
190: ok 29862
190: ok 29863
190: ok 29864
190: ok 29865
190: ok 29866
190: ok 29867
190: ok 29868
190: ok 29869
190: ok 29870
190: ok 29871
190: ok 29872
190: ok 29873
190: ok 29874
190: ok 29875
190: ok 29876
190: ok 29877
190: ok 29878
190: ok 29879
190: ok 29880
190: ok 29881
190: ok 29882
190: ok 29883
190: ok 29884
190: ok 29885
190: ok 29886
190: ok 29887
190: ok 29888
190: ok 29889
190: ok 29890
190: ok 29891
190: ok 29892
190: ok 29893
190: ok 29894
190: ok 29895
190: ok 29896
190: ok 29897
190: ok 29898
190: ok 29899
190: ok 29900
190: ok 29901
190: ok 29902
190: ok 29903
190: ok 29904
190: ok 29905
190: ok 29906
190: ok 29907
190: ok 29908
190: ok 29909
190: ok 29910
190: ok 29911
190: ok 29912
190: ok 29913
190: ok 29914
190: ok 29915
190: ok 29916
190: ok 29917
190: ok 29918
190: ok 29919
190: ok 29920
190: ok 29921
190: ok 29922
190: ok 29923
190: ok 29924
190: ok 29925
190: ok 29926
190: ok 29927
190: ok 29928
190: ok 29929
190: ok 29930
190: ok 29931
190: ok 29932
190: ok 29933
190: ok 29934
190: ok 29935
190: ok 29936
190: ok 29937
190: ok 29938
190: ok 29939
190: ok 29940
190: ok 29941
190: ok 29942
190: ok 29943
190: ok 29944
190: ok 29945
190: ok 29946
190: ok 29947
190: ok 29948
190: ok 29949
190: ok 29950
190: ok 29951
190: ok 29952
190: ok 29953
190: ok 29954
190: ok 29955
190: ok 29956
190: ok 29957
190: ok 29958
190: ok 29959
190: ok 29960
190: ok 29961
190: ok 29962
190: ok 29963
190: ok 29964
190: ok 29965
190: ok 29966
190: ok 29967
190: ok 29968
190: ok 29969
190: ok 29970
190: ok 29971
190: ok 29972
190: ok 29973
190: ok 29974
190: ok 29975
190: ok 29976
190: ok 29977
190: ok 29978
190: ok 29979
190: ok 29980
190: ok 29981
190: ok 29982
190: ok 29983
190: ok 29984
190: ok 29985
190: ok 29986
190: ok 29987
190: ok 29988
190: ok 29989
190: ok 29990
190: ok 29991
190: ok 29992
190: ok 29993
190: ok 29994
190: ok 29995
190: ok 29996
190: ok 29997
190: ok 29998
190: ok 29999
190: ok 30000
190: ok 30001
190: ok 30002
190: ok 30003
190: ok 30004
190: ok 30005
190: ok 30006
190: ok 30007
190: ok 30008
190: ok 30009
190: ok 30010
190: ok 30011
190: ok 30012
190: ok 30013
190: ok 30014
190: ok 30015
190: ok 30016
190: ok 30017
190: ok 30018
190: ok 30019
190: ok 30020
190: ok 30021
190: ok 30022
190: ok 30023
190: ok 30024
190: ok 30025
190: ok 30026
190: ok 30027
190: ok 30028
190: ok 30029
190: ok 30030
190: ok 30031
190: ok 30032
190: ok 30033
190: ok 30034
190: ok 30035
190: ok 30036
190: ok 30037
190: ok 30038
190: ok 30039
190: ok 30040
190: ok 30041
190: ok 30042
190: ok 30043
190: ok 30044
190: ok 30045
190: ok 30046
190: ok 30047
190: ok 30048
190: ok 30049
190: ok 30050
190: ok 30051
190: ok 30052
190: ok 30053
190: ok 30054
190: ok 30055
190: ok 30056
190: ok 30057
190: ok 30058
190: ok 30059
190: ok 30060
190: ok 30061
190: ok 30062
190: ok 30063
190: ok 30064
190: ok 30065
190: ok 30066
190: ok 30067
190: ok 30068
190: ok 30069
190: ok 30070
190: ok 30071
190: ok 30072
190: ok 30073
190: ok 30074
190: ok 30075
190: ok 30076
190: ok 30077
190: ok 30078
190: ok 30079
190: ok 30080
190: ok 30081
190: ok 30082
190: ok 30083
190: ok 30084
190: ok 30085
190: ok 30086
190: ok 30087
190: ok 30088
190: ok 30089
190: ok 30090
190: ok 30091
190: ok 30092
190: ok 30093
190: ok 30094
190: ok 30095
190: ok 30096
190: ok 30097
190: ok 30098
190: ok 30099
190: ok 30100
190: ok 30101
190: ok 30102
190: ok 30103
190: ok 30104
190: ok 30105
190: ok 30106
190: ok 30107
190: ok 30108
190: ok 30109
190: ok 30110
190: ok 30111
190: ok 30112
190: ok 30113
190: ok 30114
190: ok 30115
190: ok 30116
190: ok 30117
190: ok 30118
190: ok 30119
190: ok 30120
190: ok 30121
190: ok 30122
190: ok 30123
190: ok 30124
190: ok 30125
190: ok 30126
190: ok 30127
190: ok 30128
190: ok 30129
190: ok 30130
190: ok 30131
190: ok 30132
190: ok 30133
190: ok 30134
190: ok 30135
190: ok 30136
190: ok 30137
190: ok 30138
190: ok 30139
190: ok 30140
190: ok 30141
190: ok 30142
190: ok 30143
190: ok 30144
190: ok 30145
190: ok 30146
190: ok 30147
190: ok 30148
190: ok 30149
190: ok 30150
190: ok 30151
190: ok 30152
190: ok 30153
190: ok 30154
190: ok 30155
190: ok 30156
190: ok 30157
190: ok 30158
190: ok 30159
190: ok 30160
190: ok 30161
190: ok 30162
190: ok 30163
190: ok 30164
190: ok 30165
190: ok 30166
190: ok 30167
190: ok 30168
190: ok 30169
190: ok 30170
190: ok 30171
190: ok 30172
190: ok 30173
190: ok 30174
190: ok 30175
190: ok 30176
190: ok 30177
190: ok 30178
190: ok 30179
190: ok 30180
190: ok 30181
190: ok 30182
190: ok 30183
190: ok 30184
190: ok 30185
190: ok 30186
190: ok 30187
190: ok 30188
190: ok 30189
190: ok 30190
190: ok 30191
190: ok 30192
190: ok 30193
190: ok 30194
190: ok 30195
190: ok 30196
190: ok 30197
190: ok 30198
190: ok 30199
190: ok 30200
190: ok 30201
190: ok 30202
190: ok 30203
190: ok 30204
190: ok 30205
190: ok 30206
190: ok 30207
190: ok 30208
190: ok 30209
190: ok 30210
190: ok 30211
190: ok 30212
190: ok 30213
190: ok 30214
190: ok 30215
190: ok 30216
190: ok 30217
190: ok 30218
190: ok 30219
190: ok 30220
190: ok 30221
190: ok 30222
190: ok 30223
190: ok 30224
190: ok 30225
190: ok 30226
190: ok 30227
190: ok 30228
190: ok 30229
190: ok 30230
190: ok 30231
190: ok 30232
190: ok 30233
190: ok 30234
190: ok 30235
190: ok 30236
190: ok 30237
190: ok 30238
190: ok 30239
190: ok 30240
190: ok 30241
190: ok 30242
190: ok 30243
190: ok 30244
190: ok 30245
190: ok 30246
190: ok 30247
190: ok 30248
190: ok 30249
190: ok 30250
190: ok 30251
190: ok 30252
190: ok 30253
190: ok 30254
190: ok 30255
190: ok 30256
190: ok 30257
190: ok 30258
190: ok 30259
190: ok 30260
190: ok 30261
190: ok 30262
190: ok 30263
190: ok 30264
190: ok 30265
190: ok 30266
190: ok 30267
190: ok 30268
190: ok 30269
190: ok 30270
190: ok 30271
190: ok 30272
190: ok 30273
190: ok 30274
190: ok 30275
190: ok 30276
190: ok 30277
190: ok 30278
190: ok 30279
190: ok 30280
190: ok 30281
190: ok 30282
190: ok 30283
190: ok 30284
190: ok 30285
190: ok 30286
190: ok 30287
190: ok 30288
190: ok 30289
190: ok 30290
190: ok 30291
190: ok 30292
190: ok 30293
190: ok 30294
190: ok 30295
190: ok 30296
190: ok 30297
190: ok 30298
190: ok 30299
190: ok 30300
190: ok 30301
190: ok 30302
190: ok 30303
190: ok 30304
190: ok 30305
190: ok 30306
190: ok 30307
190: ok 30308
190: ok 30309
190: ok 30310
190: ok 30311
190: ok 30312
190: ok 30313
190: ok 30314
190: ok 30315
190: ok 30316
190: ok 30317
190: ok 30318
190: ok 30319
190: ok 30320
190: ok 30321
190: ok 30322
190: ok 30323
190: ok 30324
190: ok 30325
190: ok 30326
190: ok 30327
190: ok 30328
190: ok 30329
190: ok 30330
190: ok 30331
190: ok 30332
190: ok 30333
190: ok 30334
190: ok 30335
190: ok 30336
190: ok 30337
190: ok 30338
190: ok 30339
190: ok 30340
190: ok 30341
190: ok 30342
190: ok 30343
190: ok 30344
190: ok 30345
190: ok 30346
190: ok 30347
190: ok 30348
190: ok 30349
190: ok 30350
190: ok 30351
190: ok 30352
190: ok 30353
190: ok 30354
190: ok 30355
190: ok 30356
190: ok 30357
190: ok 30358
190: ok 30359
190: ok 30360
190: ok 30361
190: ok 30362
190: ok 30363
190: ok 30364
190: ok 30365
190: ok 30366
190: ok 30367
190: ok 30368
190: ok 30369
190: ok 30370
190: ok 30371
190: ok 30372
190: ok 30373
190: ok 30374
190: ok 30375
190: ok 30376
190: ok 30377
190: ok 30378
190: ok 30379
190: ok 30380
190: ok 30381
190: ok 30382
190: ok 30383
190: ok 30384
190: ok 30385
190: ok 30386
190: ok 30387
190: ok 30388
190: ok 30389
190: ok 30390
190: ok 30391
190: ok 30392
190: ok 30393
190: ok 30394
190: ok 30395
190: ok 30396
190: ok 30397
190: ok 30398
190: ok 30399
190: ok 30400
190: ok 30401
190: ok 30402
190: ok 30403
190: ok 30404
190: ok 30405
190: ok 30406
190: ok 30407
190: ok 30408
190: ok 30409
190: ok 30410
190: ok 30411
190: ok 30412
190: ok 30413
190: ok 30414
190: ok 30415
190: ok 30416
190: ok 30417
190: ok 30418
190: ok 30419
190: ok 30420
190: ok 30421
190: ok 30422
190: ok 30423
190: ok 30424
190: ok 30425
190: ok 30426
190: ok 30427
190: ok 30428
190: ok 30429
190: ok 30430
190: ok 30431
190: ok 30432
190: ok 30433
190: ok 30434
190: ok 30435
190: ok 30436
190: ok 30437
190: ok 30438
190: ok 30439
190: ok 30440
190: ok 30441
190: ok 30442
190: ok 30443
190: ok 30444
190: ok 30445
190: ok 30446
190: ok 30447
190: ok 30448
190: ok 30449
190: ok 30450
190: ok 30451
190: ok 30452
190: ok 30453
190: ok 30454
190: ok 30455
190: ok 30456
190: ok 30457
190: ok 30458
190: ok 30459
190: ok 30460
190: ok 30461
190: ok 30462
190: ok 30463
190: ok 30464
190: ok 30465
190: ok 30466
190: ok 30467
190: ok 30468
190: ok 30469
190: ok 30470
190: ok 30471
190: ok 30472
190: ok 30473
190: ok 30474
190: ok 30475
190: ok 30476
190: ok 30477
190: ok 30478
190: ok 30479
190: ok 30480
190: ok 30481
190: ok 30482
190: ok 30483
190: ok 30484
190: ok 30485
190: ok 30486
190: ok 30487
190: ok 30488
190: ok 30489
190: ok 30490
190: ok 30491
190: ok 30492
190: ok 30493
190: ok 30494
190: ok 30495
190: ok 30496
190: ok 30497
190: ok 30498
190: ok 30499
190: ok 30500
190: ok 30501
190: ok 30502
190: ok 30503
190: ok 30504
190: ok 30505
190: ok 30506
190: ok 30507
190: ok 30508
190: ok 30509
190: ok 30510
190: ok 30511
190: ok 30512
190: ok 30513
190: ok 30514
190: ok 30515
190: ok 30516
190: ok 30517
190: ok 30518
190: ok 30519
190: ok 30520
190: ok 30521
190: ok 30522
190: ok 30523
190: ok 30524
190: ok 30525
190: ok 30526
190: ok 30527
190: ok 30528
190: ok 30529
190: ok 30530
190: ok 30531
190: ok 30532
190: ok 30533
190: ok 30534
190: ok 30535
190: ok 30536
190: ok 30537
190: ok 30538
190: ok 30539
190: ok 30540
190: ok 30541
190: ok 30542
190: ok 30543
190: ok 30544
190: ok 30545
190: ok 30546
190: ok 30547
190: ok 30548
190: ok 30549
190: ok 30550
190: ok 30551
190: ok 30552
190: ok 30553
190: ok 30554
190: ok 30555
190: ok 30556
190: ok 30557
190: ok 30558
190: ok 30559
190: ok 30560
190: ok 30561
190: ok 30562
190: ok 30563
190: ok 30564
190: ok 30565
190: ok 30566
190: ok 30567
190: ok 30568
190: ok 30569
190: ok 30570
190: ok 30571
190: ok 30572
190: ok 30573
190: ok 30574
190: ok 30575
190: ok 30576
190: ok 30577
190: ok 30578
190: ok 30579
190: ok 30580
190: ok 30581
190: ok 30582
190: ok 30583
190: ok 30584
190: ok 30585
190: ok 30586
190: ok 30587
190: ok 30588
190: ok 30589
190: ok 30590
190: ok 30591
190: ok 30592
190: ok 30593
190: ok 30594
190: ok 30595
190: ok 30596
190: ok 30597
190: ok 30598
190: ok 30599
190: ok 30600
190: ok 30601
190: ok 30602
190: ok 30603
190: ok 30604
190: ok 30605
190: ok 30606
190: ok 30607
190: ok 30608
190: ok 30609
190: ok 30610
190: ok 30611
190: ok 30612
190: ok 30613
190: ok 30614
190: ok 30615
190: ok 30616
190: ok 30617
190: ok 30618
190: ok 30619
190: ok 30620
190: ok 30621
190: ok 30622
190: ok 30623
190: ok 30624
190: ok 30625
190: ok 30626
190: ok 30627
190: ok 30628
190: ok 30629
190: ok 30630
190: ok 30631
190: ok 30632
190: ok 30633
190: ok 30634
190: ok 30635
190: ok 30636
190: ok 30637
190: ok 30638
190: ok 30639
190: ok 30640
190: ok 30641
190: ok 30642
190: ok 30643
190: ok 30644
190: ok 30645
190: ok 30646
190: ok 30647
190: ok 30648
190: ok 30649
190: ok 30650
190: ok 30651
190: ok 30652
190: ok 30653
190: ok 30654
190: ok 30655
190: ok 30656
190: ok 30657
190: ok 30658
190: ok 30659
190: ok 30660
190: ok 30661
190: ok 30662
190: ok 30663
190: ok 30664
190: ok 30665
190: ok 30666
190: ok 30667
190: ok 30668
190: ok 30669
190: ok 30670
190: ok 30671
190: ok 30672
190: ok 30673
190: ok 30674
190: ok 30675
190: ok 30676
190: ok 30677
190: ok 30678
190: ok 30679
190: ok 30680
190: ok 30681
190: ok 30682
190: ok 30683
190: ok 30684
190: ok 30685
190: ok 30686
190: ok 30687
190: ok 30688
190: ok 30689
190: ok 30690
190: ok 30691
190: ok 30692
190: ok 30693
190: ok 30694
190: ok 30695
190: ok 30696
190: ok 30697
190: ok 30698
190: ok 30699
190: ok 30700
190: ok 30701
190: ok 30702
190: ok 30703
190: ok 30704
190: ok 30705
190: ok 30706
190: ok 30707
190: ok 30708
190: ok 30709
190: ok 30710
190: ok 30711
190: ok 30712
190: ok 30713
190: ok 30714
190: ok 30715
190: ok 30716
190: ok 30717
190: ok 30718
190: ok 30719
190: ok 30720
190: ok 30721
190: ok 30722
190: ok 30723
190: ok 30724
190: ok 30725
190: ok 30726
190: ok 30727
190: ok 30728
190: ok 30729
190: ok 30730
190: ok 30731
190: ok 30732
190: ok 30733
190: ok 30734
190: ok 30735
190: ok 30736
190: ok 30737
190: ok 30738
190: ok 30739
190: ok 30740
190: ok 30741
190: ok 30742
190: ok 30743
190: ok 30744
190: ok 30745
190: ok 30746
190: ok 30747
190: ok 30748
190: ok 30749
190: ok 30750
190: ok 30751
190: ok 30752
190: ok 30753
190: ok 30754
190: ok 30755
190: ok 30756
190: ok 30757
190: ok 30758
190: ok 30759
190: ok 30760
190: ok 30761
190: ok 30762
190: ok 30763
190: ok 30764
190: ok 30765
190: ok 30766
190: ok 30767
190: ok 30768
190: ok 30769
190: ok 30770
190: ok 30771
190: ok 30772
190: ok 30773
190: ok 30774
190: ok 30775
190: ok 30776
190: ok 30777
190: ok 30778
190: ok 30779
190: ok 30780
190: ok 30781
190: ok 30782
190: ok 30783
190: ok 30784
190: ok 30785
190: ok 30786
190: ok 30787
190: ok 30788
190: ok 30789
190: ok 30790
190: ok 30791
190: ok 30792
190: ok 30793
190: ok 30794
190: ok 30795
190: ok 30796
190: ok 30797
190: ok 30798
190: ok 30799
190: ok 30800
190: ok 30801
190: ok 30802
190: ok 30803
190: ok 30804
190: ok 30805
190: ok 30806
190: ok 30807
190: ok 30808
190: ok 30809
190: ok 30810
190: ok 30811
190: ok 30812
190: ok 30813
190: ok 30814
190: ok 30815
190: ok 30816
190: ok 30817
190: ok 30818
190: ok 30819
190: ok 30820
190: ok 30821
190: ok 30822
190: ok 30823
190: ok 30824
190: ok 30825
190: ok 30826
190: ok 30827
190: ok 30828
190: ok 30829
190: ok 30830
190: ok 30831
190: ok 30832
190: ok 30833
190: ok 30834
190: ok 30835
190: ok 30836
190: ok 30837
190: ok 30838
190: ok 30839
190: ok 30840
190: ok 30841
190: ok 30842
190: ok 30843
190: ok 30844
190: ok 30845
190: ok 30846
190: ok 30847
190: ok 30848
190: ok 30849
190: ok 30850
190: ok 30851
190: ok 30852
190: ok 30853
190: ok 30854
190: ok 30855
190: ok 30856
190: ok 30857
190: ok 30858
190: ok 30859
190: ok 30860
190: ok 30861
190: ok 30862
190: ok 30863
190: ok 30864
190: ok 30865
190: ok 30866
190: ok 30867
190: ok 30868
190: ok 30869
190: ok 30870
190: ok 30871
190: ok 30872
190: ok 30873
190: ok 30874
190: ok 30875
190: ok 30876
190: ok 30877
190: ok 30878
190: ok 30879
190: ok 30880
190: ok 30881
190: ok 30882
190: ok 30883
190: ok 30884
190: ok 30885
190: ok 30886
190: ok 30887
190: ok 30888
190: ok 30889
190: ok 30890
190: ok 30891
190: ok 30892
190: ok 30893
190: ok 30894
190: ok 30895
190: ok 30896
190: ok 30897
190: ok 30898
190: ok 30899
190: ok 30900
190: ok 30901
190: ok 30902
190: ok 30903
190: ok 30904
190: ok 30905
190: ok 30906
190: ok 30907
190: ok 30908
190: ok 30909
190: ok 30910
190: ok 30911
190: ok 30912
190: ok 30913
190: ok 30914
190: ok 30915
190: ok 30916
190: ok 30917
190: ok 30918
190: ok 30919
190: ok 30920
190: ok 30921
190: ok 30922
190: ok 30923
190: ok 30924
190: ok 30925
190: ok 30926
190: ok 30927
190: ok 30928
190: ok 30929
190: ok 30930
190: ok 30931
190: ok 30932
190: ok 30933
190: ok 30934
190: ok 30935
190: ok 30936
190: ok 30937
190: ok 30938
190: ok 30939
190: ok 30940
190: ok 30941
190: ok 30942
190: ok 30943
190: ok 30944
190: ok 30945
190: ok 30946
190: ok 30947
190: ok 30948
190: ok 30949
190: ok 30950
190: ok 30951
190: ok 30952
190: ok 30953
190: ok 30954
190: ok 30955
190: ok 30956
190: ok 30957
190: ok 30958
190: ok 30959
190: ok 30960
190: ok 30961
190: ok 30962
190: ok 30963
190: ok 30964
190: ok 30965
190: ok 30966
190: ok 30967
190: ok 30968
190: ok 30969
190: ok 30970
190: ok 30971
190: ok 30972
190: ok 30973
190: ok 30974
190: ok 30975
190: ok 30976
190: ok 30977
190: ok 30978
190: ok 30979
190: ok 30980
190: ok 30981
190: ok 30982
190: ok 30983
190: ok 30984
190: ok 30985
190: ok 30986
190: ok 30987
190: ok 30988
190: ok 30989
190: ok 30990
190: ok 30991
190: ok 30992
190: ok 30993
190: ok 30994
190: ok 30995
190: ok 30996
190: ok 30997
190: ok 30998
190: ok 30999
190: ok 31000
190: ok 31001
190: ok 31002
190: ok 31003
190: ok 31004
190: ok 31005
190: ok 31006
190: ok 31007
190: ok 31008
190: ok 31009
190: ok 31010
190: ok 31011
190: ok 31012
190: ok 31013
190: ok 31014
190: ok 31015
190: ok 31016
190: ok 31017
190: ok 31018
190: ok 31019
190: ok 31020
190: ok 31021
190: ok 31022
190: ok 31023
190: ok 31024
190: ok 31025
190: ok 31026
190: ok 31027
190: ok 31028
190: ok 31029
190: ok 31030
190: ok 31031
190: ok 31032
190: ok 31033
190: ok 31034
190: ok 31035
190: ok 31036
190: ok 31037
190: ok 31038
190: ok 31039
190: ok 31040
190: ok 31041
190: ok 31042
190: ok 31043
190: ok 31044
190: ok 31045
190: ok 31046
190: ok 31047
190: ok 31048
190: ok 31049
190: ok 31050
190: ok 31051
190: ok 31052
190: ok 31053
190: ok 31054
190: ok 31055
190: ok 31056
190: ok 31057
190: ok 31058
190: ok 31059
190: ok 31060
190: ok 31061
190: ok 31062
190: ok 31063
190: ok 31064
190: ok 31065
190: ok 31066
190: ok 31067
190: ok 31068
190: ok 31069
190: ok 31070
190: ok 31071
190: ok 31072
190: ok 31073
190: ok 31074
190: ok 31075
190: ok 31076
190: ok 31077
190: ok 31078
190: ok 31079
190: ok 31080
190: ok 31081
190: ok 31082
190: ok 31083
190: ok 31084
190: ok 31085
190: ok 31086
190: ok 31087
190: ok 31088
190: ok 31089
190: ok 31090
190: ok 31091
190: ok 31092
190: ok 31093
190: ok 31094
190: ok 31095
190: ok 31096
190: ok 31097
190: ok 31098
190: ok 31099
190: ok 31100
190: ok 31101
190: ok 31102
190: ok 31103
190: ok 31104
190: ok 31105
190: ok 31106
190: ok 31107
190: ok 31108
190: ok 31109
190: ok 31110
190: ok 31111
190: ok 31112
190: ok 31113
190: ok 31114
190: ok 31115
190: ok 31116
190: ok 31117
190: ok 31118
190: ok 31119
190: ok 31120
190: ok 31121
190: ok 31122
190: ok 31123
190: ok 31124
190: ok 31125
190: ok 31126
190: ok 31127
190: ok 31128
190: ok 31129
190: ok 31130
190: ok 31131
190: ok 31132
190: ok 31133
190: ok 31134
190: ok 31135
190: ok 31136
190: ok 31137
190: ok 31138
190: ok 31139
190: ok 31140
190: ok 31141
190: ok 31142
190: ok 31143
190: ok 31144
190: ok 31145
190: ok 31146
190: ok 31147
190: ok 31148
190: ok 31149
190: ok 31150
190: ok 31151
190: ok 31152
190: ok 31153
190: ok 31154
190: ok 31155
190: ok 31156
190: ok 31157
190: ok 31158
190: ok 31159
190: ok 31160
190: ok 31161
190: ok 31162
190: ok 31163
190: ok 31164
190: ok 31165
190: ok 31166
190: ok 31167
190: ok 31168
190: ok 31169
190: ok 31170
190: ok 31171
190: ok 31172
190: ok 31173
190: ok 31174
190: ok 31175
190: ok 31176
190: ok 31177
190: ok 31178
190: ok 31179
190: ok 31180
190: ok 31181
190: ok 31182
190: ok 31183
190: ok 31184
190: ok 31185
190: ok 31186
190: ok 31187
190: ok 31188
190: ok 31189
190: ok 31190
190: ok 31191
190: ok 31192
190: ok 31193
190: ok 31194
190: ok 31195
190: ok 31196
190: ok 31197
190: ok 31198
190: ok 31199
190: ok 31200
190: ok 31201
190: ok 31202
190: ok 31203
190: ok 31204
190: ok 31205
190: ok 31206
190: ok 31207
190: ok 31208
190: ok 31209
190: ok 31210
190: ok 31211
190: ok 31212
190: ok 31213
190: ok 31214
190: ok 31215
190: ok 31216
190: ok 31217
190: ok 31218
190: ok 31219
190: ok 31220
190: ok 31221
190: ok 31222
190: ok 31223
190: ok 31224
190: ok 31225
190: ok 31226
190: ok 31227
190: ok 31228
190: ok 31229
190: ok 31230
190: ok 31231
190: ok 31232
190: ok 31233
190: ok 31234
190: ok 31235
190: ok 31236
190: ok 31237
190: ok 31238
190: ok 31239
190: ok 31240
190: ok 31241
190: ok 31242
190: ok 31243
190: ok 31244
190: ok 31245
190: ok 31246
190: ok 31247
190: ok 31248
190: ok 31249
190: ok 31250
190: ok 31251
190: ok 31252
190: ok 31253
190: ok 31254
190: ok 31255
190: ok 31256
190: ok 31257
190: ok 31258
190: ok 31259
190: ok 31260
190: ok 31261
190: ok 31262
190: ok 31263
190: ok 31264
190: ok 31265
190: ok 31266
190: ok 31267
190: ok 31268
190: ok 31269
190: ok 31270
190: ok 31271
190: ok 31272
190: ok 31273
190: ok 31274
190: ok 31275
190: ok 31276
190: ok 31277
190: ok 31278
190: ok 31279
190: ok 31280
190: ok 31281
190: ok 31282
190: ok 31283
190: ok 31284
190: ok 31285
190: ok 31286
190: ok 31287
190: ok 31288
190: ok 31289
190: ok 31290
190: ok 31291
190: ok 31292
190: ok 31293
190: ok 31294
190: ok 31295
190: ok 31296
190: ok 31297
190: ok 31298
190: ok 31299
190: ok 31300
190: ok 31301
190: ok 31302
190: ok 31303
190: ok 31304
190: ok 31305
190: ok 31306
190: ok 31307
190: ok 31308
190: ok 31309
190: ok 31310
190: ok 31311
190: ok 31312
190: ok 31313
190: ok 31314
190: ok 31315
190: ok 31316
190: ok 31317
190: ok 31318
190: ok 31319
190: ok 31320
190: ok 31321
190: ok 31322
190: ok 31323
190: ok 31324
190: ok 31325
190: ok 31326
190: ok 31327
190: ok 31328
190: ok 31329
190: ok 31330
190: ok 31331
190: ok 31332
190: ok 31333
190: ok 31334
190: ok 31335
190: ok 31336
190: ok 31337
190: ok 31338
190: ok 31339
190: ok 31340
190: ok 31341
190: ok 31342
190: ok 31343
190: ok 31344
190: ok 31345
190: ok 31346
190: ok 31347
190: ok 31348
190: ok 31349
190: ok 31350
190: ok 31351
190: ok 31352
190: ok 31353
190: ok 31354
190: ok 31355
190: ok 31356
190: ok 31357
190: ok 31358
190: ok 31359
190: ok 31360
190: ok 31361
190: ok 31362
190: ok 31363
190: ok 31364
190: ok 31365
190: ok 31366
190: ok 31367
190: ok 31368
190: ok 31369
190: ok 31370
190: ok 31371
190: ok 31372
190: ok 31373
190: ok 31374
190: ok 31375
190: ok 31376
190: ok 31377
190: ok 31378
190: ok 31379
190: ok 31380
190: ok 31381
190: ok 31382
190: ok 31383
190: ok 31384
190: ok 31385
190: ok 31386
190: ok 31387
190: ok 31388
190: ok 31389
190: ok 31390
190: ok 31391
190: ok 31392
190: ok 31393
190: ok 31394
190: ok 31395
190: ok 31396
190: ok 31397
190: ok 31398
190: ok 31399
190: ok 31400
190: ok 31401
190: ok 31402
190: ok 31403
190: ok 31404
190: ok 31405
190: ok 31406
190: ok 31407
190: ok 31408
190: ok 31409
190: ok 31410
190: ok 31411
190: ok 31412
190: ok 31413
190: ok 31414
190: ok 31415
190: ok 31416
190: ok 31417
190: ok 31418
190: ok 31419
190: ok 31420
190: ok 31421
190: ok 31422
190: ok 31423
190: ok 31424
190: ok 31425
190: ok 31426
190: ok 31427
190: ok 31428
190: ok 31429
190: ok 31430
190: ok 31431
190: ok 31432
190: ok 31433
190: ok 31434
190: ok 31435
190: ok 31436
190: ok 31437
190: ok 31438
190: ok 31439
190: ok 31440
190: ok 31441
190: ok 31442
190: ok 31443
190: ok 31444
190: ok 31445
190: ok 31446
190: ok 31447
190: ok 31448
190: ok 31449
190: ok 31450
190: ok 31451
190: ok 31452
190: ok 31453
190: ok 31454
190: ok 31455
190: ok 31456
190: ok 31457
190: ok 31458
190: ok 31459
190: ok 31460
190: ok 31461
190: ok 31462
190: ok 31463
190: ok 31464
190: ok 31465
190: ok 31466
190: ok 31467
190: ok 31468
190: ok 31469
190: ok 31470
190: ok 31471
190: ok 31472
190: ok 31473
190: ok 31474
190: ok 31475
190: ok 31476
190: ok 31477
190: ok 31478
190: ok 31479
190: ok 31480
190: ok 31481
190: ok 31482
190: ok 31483
190: ok 31484
190: ok 31485
190: ok 31486
190: ok 31487
190: ok 31488
190: ok 31489
190: ok 31490
190: ok 31491
190: ok 31492
190: ok 31493
190: ok 31494
190: ok 31495
190: ok 31496
190: ok 31497
190: ok 31498
190: ok 31499
190: ok 31500
190: ok 31501
190: ok 31502
190: ok 31503
190: ok 31504
190: ok 31505
190: ok 31506
190: ok 31507
190: ok 31508
190: ok 31509
190: ok 31510
190: ok 31511
190: ok 31512
190: ok 31513
190: ok 31514
190: ok 31515
190: ok 31516
190: ok 31517
190: ok 31518
190: ok 31519
190: ok 31520
190: ok 31521
190: ok 31522
190: ok 31523
190: ok 31524
190: ok 31525
190: ok 31526
190: ok 31527
190: ok 31528
190: ok 31529
190: ok 31530
190: ok 31531
190: ok 31532
190: ok 31533
190: ok 31534
190: ok 31535
190: ok 31536
190: ok 31537
190: ok 31538
190: ok 31539
190: ok 31540
190: ok 31541
190: ok 31542
190: ok 31543
190: ok 31544
190: ok 31545
190: ok 31546
190: ok 31547
190: ok 31548
190: ok 31549
190: ok 31550
190: ok 31551
190: ok 31552
190: ok 31553
190: ok 31554
190: ok 31555
190: ok 31556
190: ok 31557
190: ok 31558
190: ok 31559
190: ok 31560
190: ok 31561
190: ok 31562
190: ok 31563
190: ok 31564
190: ok 31565
190: ok 31566
190: ok 31567
190: ok 31568
190: ok 31569
190: ok 31570
190: ok 31571
190: ok 31572
190: ok 31573
190: ok 31574
190: ok 31575
190: ok 31576
190: ok 31577
190: ok 31578
190: ok 31579
190: ok 31580
190: ok 31581
190: ok 31582
190: ok 31583
190: ok 31584
190: ok 31585
190: ok 31586
190: ok 31587
190: ok 31588
190: ok 31589
190: ok 31590
190: ok 31591
190: ok 31592
190: ok 31593
190: ok 31594
190: ok 31595
190: ok 31596
190: ok 31597
190: ok 31598
190: ok 31599
190: ok 31600
190: ok 31601
190: ok 31602
190: ok 31603
190: ok 31604
190: ok 31605
190: ok 31606
190: ok 31607
190: ok 31608
190: ok 31609
190: ok 31610
190: ok 31611
190: ok 31612
190: ok 31613
190: ok 31614
190: ok 31615
190: ok 31616
190: ok 31617
190: ok 31618
190: ok 31619
190: ok 31620
190: ok 31621
190: ok 31622
190: ok 31623
190: ok 31624
190: ok 31625
190: ok 31626
190: ok 31627
190: ok 31628
190: ok 31629
190: ok 31630
190: ok 31631
190: ok 31632
190: ok 31633
190: ok 31634
190: ok 31635
190: ok 31636
190: ok 31637
190: ok 31638
190: ok 31639
190: ok 31640
190: ok 31641
190: ok 31642
190: ok 31643
190: ok 31644
190: ok 31645
190: ok 31646
190: ok 31647
190: ok 31648
190: ok 31649
190: ok 31650
190: ok 31651
190: ok 31652
190: ok 31653
190: ok 31654
190: ok 31655
190: ok 31656
190: ok 31657
190: ok 31658
190: ok 31659
190: ok 31660
190: ok 31661
190: ok 31662
190: ok 31663
190: ok 31664
190: ok 31665
190: ok 31666
190: ok 31667
190: ok 31668
190: ok 31669
190: ok 31670
190: ok 31671
190: ok 31672
190: ok 31673
190: ok 31674
190: ok 31675
190: ok 31676
190: ok 31677
190: ok 31678
190: ok 31679
190: ok 31680
190: ok 31681
190: ok 31682
190: ok 31683
190: ok 31684
190: ok 31685
190: ok 31686
190: ok 31687
190: ok 31688
190: ok 31689
190: ok 31690
190: ok 31691
190: ok 31692
190: ok 31693
190: ok 31694
190: ok 31695
190: ok 31696
190: ok 31697
190: ok 31698
190: ok 31699
190: ok 31700
190: ok 31701
190: ok 31702
190: ok 31703
190: ok 31704
190: ok 31705
190: ok 31706
190: ok 31707
190: ok 31708
190: ok 31709
190: ok 31710
190: ok 31711
190: ok 31712
190: ok 31713
190: ok 31714
190: ok 31715
190: ok 31716
190: ok 31717
190: ok 31718
190: ok 31719
190: ok 31720
190: ok 31721
190: ok 31722
190: ok 31723
190: ok 31724
190: ok 31725
190: ok 31726
190: ok 31727
190: ok 31728
190: ok 31729
190: ok 31730
190: ok 31731
190: ok 31732
190: ok 31733
190: ok 31734
190: ok 31735
190: ok 31736
190: ok 31737
190: ok 31738
190: ok 31739
190: ok 31740
190: ok 31741
190: ok 31742
190: ok 31743
190: ok 31744
190: ok 31745
190: ok 31746
190: ok 31747
190: ok 31748
190: ok 31749
190: ok 31750
190: ok 31751
190: ok 31752
190: ok 31753
190: ok 31754
190: ok 31755
190: ok 31756
190: ok 31757
190: ok 31758
190: ok 31759
190: ok 31760
190: ok 31761
190: ok 31762
190: ok 31763
190: ok 31764
190: ok 31765
190: ok 31766
190: ok 31767
190: ok 31768
190: ok 31769
190: ok 31770
190: ok 31771
190: ok 31772
190: ok 31773
190: ok 31774
190: ok 31775
190: ok 31776
190: ok 31777
190: ok 31778
190: ok 31779
190: ok 31780
190: ok 31781
190: ok 31782
190: ok 31783
190: ok 31784
190: ok 31785
190: ok 31786
190: ok 31787
190: ok 31788
190: ok 31789
190: ok 31790
190: ok 31791
190: ok 31792
190: ok 31793
190: ok 31794
190: ok 31795
190: ok 31796
190: ok 31797
190: ok 31798
190: ok 31799
190: ok 31800
190: ok 31801
190: ok 31802
190: ok 31803
190: ok 31804
190: ok 31805
190: ok 31806
190: ok 31807
190: ok 31808
190: ok 31809
190: ok 31810
190: ok 31811
190: ok 31812
190: ok 31813
190: ok 31814
190: ok 31815
190: ok 31816
190: ok 31817
190: ok 31818
190: ok 31819
190: ok 31820
190: ok 31821
190: ok 31822
190: ok 31823
190: ok 31824
190: ok 31825
190: ok 31826
190: ok 31827
190: ok 31828
190: ok 31829
190: ok 31830
190: ok 31831
190: ok 31832
190: ok 31833
190: ok 31834
190: ok 31835
190: ok 31836
190: ok 31837
190: ok 31838
190: ok 31839
190: ok 31840
190: ok 31841
190: ok 31842
190: ok 31843
190: ok 31844
190: ok 31845
190: ok 31846
190: ok 31847
190: ok 31848
190: ok 31849
190: ok 31850
190: ok 31851
190: ok 31852
190: ok 31853
190: ok 31854
190: ok 31855
190: ok 31856
190: ok 31857
190: ok 31858
190: ok 31859
190: ok 31860
190: ok 31861
190: ok 31862
190: ok 31863
190: ok 31864
190: ok 31865
190: ok 31866
190: ok 31867
190: ok 31868
190: ok 31869
190: ok 31870
190: ok 31871
190: ok 31872
190: ok 31873
190: ok 31874
190: ok 31875
190: ok 31876
190: ok 31877
190: ok 31878
190: ok 31879
190: ok 31880
190: ok 31881
190: ok 31882
190: ok 31883
190: ok 31884
190: ok 31885
190: ok 31886
190: ok 31887
190: ok 31888
190: ok 31889
190: ok 31890
190: ok 31891
190: ok 31892
190: ok 31893
190: ok 31894
190: ok 31895
190: ok 31896
190: ok 31897
190: ok 31898
190: ok 31899
190: ok 31900
190: ok 31901
190: ok 31902
190: ok 31903
190: ok 31904
190: ok 31905
190: ok 31906
190: ok 31907
190: ok 31908
190: ok 31909
190: ok 31910
190: ok 31911
190: ok 31912
190: ok 31913
190: ok 31914
190: ok 31915
190: ok 31916
190: ok 31917
190: ok 31918
190: ok 31919
190: ok 31920
190: ok 31921
190: ok 31922
190: ok 31923
190: ok 31924
190: ok 31925
190: ok 31926
190: ok 31927
190: ok 31928
190: ok 31929
190: ok 31930
190: ok 31931
190: ok 31932
190: ok 31933
190: ok 31934
190: ok 31935
190: ok 31936
190: ok 31937
190: ok 31938
190: ok 31939
190: ok 31940
190: ok 31941
190: ok 31942
190: ok 31943
190: ok 31944
190: ok 31945
190: ok 31946
190: ok 31947
190: ok 31948
190: ok 31949
190: ok 31950
190: ok 31951
190: ok 31952
190: ok 31953
190: ok 31954
190: ok 31955
190: ok 31956
190: ok 31957
190: ok 31958
190: ok 31959
190: ok 31960
190: ok 31961
190: ok 31962
190: ok 31963
190: ok 31964
190: ok 31965
190: ok 31966
190: ok 31967
190: ok 31968
190: ok 31969
190: ok 31970
190: ok 31971
190: ok 31972
190: ok 31973
190: ok 31974
190: ok 31975
190: ok 31976
190: ok 31977
190: ok 31978
190: ok 31979
190: ok 31980
190: ok 31981
190: ok 31982
190: ok 31983
190: ok 31984
190: ok 31985
190: ok 31986
190: ok 31987
190: ok 31988
190: ok 31989
190: ok 31990
190: ok 31991
190: ok 31992
190: ok 31993
190: ok 31994
190: ok 31995
190: ok 31996
190: ok 31997
190: ok 31998
190: ok 31999
190: ok 32000
190: ok 32001
190: ok 32002
190: ok 32003
190: ok 32004
190: ok 32005
190: ok 32006
190: ok 32007
190: ok 32008
190: ok 32009
190: ok 32010
190: ok 32011
190: ok 32012
190: ok 32013
190: ok 32014
190: ok 32015
190: ok 32016
190: ok 32017
190: ok 32018
190: ok 32019
190: ok 32020
190: ok 32021
190: ok 32022
190: ok 32023
190: ok 32024
190: ok 32025
190: ok 32026
190: ok 32027
190: ok 32028
190: ok 32029
190: ok 32030
190: ok 32031
190: ok 32032
190: ok 32033
190: ok 32034
190: ok 32035
190: ok 32036
190: ok 32037
190: ok 32038
190: ok 32039
190: ok 32040
190: ok 32041
190: ok 32042
190: ok 32043
190: ok 32044
190: ok 32045
190: ok 32046
190: ok 32047
190: ok 32048
190: ok 32049
190: ok 32050
190: ok 32051
190: ok 32052
190: ok 32053
190: ok 32054
190: ok 32055
190: ok 32056
190: ok 32057
190: ok 32058
190: ok 32059
190: ok 32060
190: ok 32061
190: ok 32062
190: ok 32063
190: ok 32064
190: ok 32065
190: ok 32066
190: ok 32067
190: ok 32068
190: ok 32069
190: ok 32070
190: ok 32071
190: ok 32072
190: ok 32073
190: ok 32074
190: ok 32075
190: ok 32076
190: ok 32077
190: ok 32078
190: ok 32079
190: ok 32080
190: ok 32081
190: ok 32082
190: ok 32083
190: ok 32084
190: ok 32085
190: ok 32086
190: ok 32087
190: ok 32088
190: ok 32089
190: ok 32090
190: ok 32091
190: ok 32092
190: ok 32093
190: ok 32094
190: ok 32095
190: ok 32096
190: ok 32097
190: ok 32098
190: ok 32099
190: ok 32100
190: ok 32101
190: ok 32102
190: ok 32103
190: ok 32104
190: ok 32105
190: ok 32106
190: ok 32107
190: ok 32108
190: ok 32109
190: ok 32110
190: ok 32111
190: ok 32112
190: ok 32113
190: ok 32114
190: ok 32115
190: ok 32116
190: ok 32117
190: ok 32118
190: ok 32119
190: ok 32120
190: ok 32121
190: ok 32122
190: ok 32123
190: ok 32124
190: ok 32125
190: ok 32126
190: ok 32127
190: ok 32128
190: ok 32129
190: ok 32130
190: ok 32131
190: ok 32132
190: ok 32133
190: ok 32134
190: ok 32135
190: ok 32136
190: ok 32137
190: ok 32138
190: ok 32139
190: ok 32140
190: ok 32141
190: ok 32142
190: ok 32143
190: ok 32144
190: ok 32145
190: ok 32146
190: ok 32147
190: ok 32148
190: ok 32149
190: ok 32150
190: ok 32151
190: ok 32152
190: ok 32153
190: ok 32154
190: ok 32155
190: ok 32156
190: ok 32157
190: ok 32158
190: ok 32159
190: ok 32160
190: ok 32161
190: ok 32162
190: ok 32163
190: ok 32164
190: ok 32165
190: ok 32166
190: ok 32167
190: ok 32168
190: ok 32169
190: ok 32170
190: ok 32171
190: ok 32172
190: ok 32173
190: ok 32174
190: ok 32175
190: ok 32176
190: ok 32177
190: ok 32178
190: ok 32179
190: ok 32180
190: ok 32181
190: ok 32182
190: ok 32183
190: ok 32184
190: ok 32185
190: ok 32186
190: ok 32187
190: ok 32188
190: ok 32189
190: ok 32190
190: ok 32191
190: ok 32192
190: ok 32193
190: ok 32194
190: ok 32195
190: ok 32196
190: ok 32197
190: ok 32198
190: ok 32199
190: ok 32200
190: ok 32201
190: ok 32202
190: ok 32203
190: ok 32204
190: ok 32205
190: ok 32206
190: ok 32207
190: ok 32208
190: ok 32209
190: ok 32210
190: ok 32211
190: ok 32212
190: ok 32213
190: ok 32214
190: ok 32215
190: ok 32216
190: ok 32217
190: ok 32218
190: ok 32219
190: ok 32220
190: ok 32221
190: ok 32222
190: ok 32223
190: ok 32224
190: ok 32225
190: ok 32226
190: ok 32227
190: ok 32228
190: ok 32229
190: ok 32230
190: ok 32231
190: ok 32232
190: ok 32233
190: ok 32234
190: ok 32235
190: ok 32236
190: ok 32237
190: ok 32238
190: ok 32239
190: ok 32240
190: ok 32241
190: ok 32242
190: ok 32243
190: ok 32244
190: ok 32245
190: ok 32246
190: ok 32247
190: ok 32248
190: ok 32249
190: ok 32250
190: ok 32251
190: ok 32252
190: ok 32253
190: ok 32254
190: ok 32255
190: ok 32256
190: ok 32257
190: ok 32258
190: ok 32259
190: ok 32260
190: ok 32261
190: ok 32262
190: ok 32263
190: ok 32264
190: ok 32265
190: ok 32266
190: ok 32267
190: ok 32268
190: ok 32269
190: ok 32270
190: ok 32271
190: ok 32272
190: ok 32273
190: ok 32274
190: ok 32275
190: ok 32276
190: ok 32277
190: ok 32278
190: ok 32279
190: ok 32280
190: ok 32281
190: ok 32282
190: ok 32283
190: ok 32284
190: ok 32285
190: ok 32286
190: ok 32287
190: ok 32288
190: ok 32289
190: ok 32290
190: ok 32291
190: ok 32292
190: ok 32293
190: ok 32294
190: ok 32295
190: ok 32296
190: ok 32297
190: ok 32298
190: ok 32299
190: ok 32300
190: ok 32301
190: ok 32302
190: ok 32303
190: ok 32304
190: ok 32305
190: ok 32306
190: ok 32307
190: ok 32308
190: ok 32309
190: ok 32310
190: ok 32311
190: ok 32312
190: ok 32313
190: ok 32314
190: ok 32315
190: ok 32316
190: ok 32317
190: ok 32318
190: ok 32319
190: ok 32320
190: ok 32321
190: ok 32322
190: ok 32323
190: ok 32324
190: ok 32325
190: ok 32326
190: ok 32327
190: ok 32328
190: ok 32329
190: ok 32330
190: ok 32331
190: ok 32332
190: ok 32333
190: ok 32334
190: ok 32335
190: ok 32336
190: ok 32337
190: ok 32338
190: ok 32339
190: ok 32340
190: ok 32341
190: ok 32342
190: ok 32343
190: ok 32344
190: ok 32345
190: ok 32346
190: ok 32347
190: ok 32348
190: ok 32349
190: ok 32350
190: ok 32351
190: ok 32352
190: ok 32353
190: ok 32354
190: ok 32355
190: ok 32356
190: ok 32357
190: ok 32358
190: ok 32359
190: ok 32360
190: ok 32361
190: ok 32362
190: ok 32363
190: ok 32364
190: ok 32365
190: ok 32366
190: ok 32367
190: ok 32368
190: ok 32369
190: ok 32370
190: ok 32371
190: ok 32372
190: ok 32373
190: ok 32374
190: ok 32375
190: ok 32376
190: ok 32377
190: ok 32378
190: ok 32379
190: ok 32380
190: ok 32381
190: ok 32382
190: ok 32383
190: ok 32384
190: ok 32385
190: ok 32386
190: ok 32387
190: ok 32388
190: ok 32389
190: ok 32390
190: ok 32391
190: ok 32392
190: ok 32393
190: ok 32394
190: ok 32395
190: ok 32396
190: ok 32397
190: ok 32398
190: ok 32399
190: ok 32400
190: ok 32401
190: ok 32402
190: ok 32403
190: ok 32404
190: ok 32405
190: ok 32406
190: ok 32407
190: ok 32408
190: ok 32409
190: ok 32410
190: ok 32411
190: ok 32412
190: ok 32413
190: ok 32414
190: ok 32415
190: ok 32416
190: ok 32417
190: ok 32418
190: ok 32419
190: ok 32420
190: ok 32421
190: ok 32422
190: ok 32423
190: ok 32424
190: ok 32425
190: ok 32426
190: ok 32427
190: ok 32428
190: ok 32429
190: ok 32430
190: ok 32431
190: ok 32432
190: ok 32433
190: ok 32434
190: ok 32435
190: ok 32436
190: ok 32437
190: ok 32438
190: ok 32439
190: ok 32440
190: ok 32441
190: ok 32442
190: ok 32443
190: ok 32444
190: ok 32445
190: ok 32446
190: ok 32447
190: ok 32448
190: ok 32449
190: ok 32450
190: ok 32451
190: ok 32452
190: ok 32453
190: ok 32454
190: ok 32455
190: ok 32456
190: ok 32457
190: ok 32458
190: ok 32459
190: ok 32460
190: ok 32461
190: ok 32462
190: ok 32463
190: ok 32464
190: ok 32465
190: ok 32466
190: ok 32467
190: ok 32468
190: ok 32469
190: ok 32470
190: ok 32471
190: ok 32472
190: ok 32473
190: ok 32474
190: ok 32475
190: ok 32476
190: ok 32477
190: ok 32478
190: ok 32479
190: ok 32480
190: ok 32481
190: ok 32482
190: ok 32483
190: ok 32484
190: ok 32485
190: ok 32486
190: ok 32487
190: ok 32488
190: ok 32489
190: ok 32490
190: ok 32491
190: ok 32492
190: ok 32493
190: ok 32494
190: ok 32495
190: ok 32496
190: ok 32497
190: ok 32498
190: ok 32499
190: ok 32500
190: ok 32501
190: ok 32502
190: ok 32503
190: ok 32504
190: ok 32505
190: ok 32506
190: ok 32507
190: ok 32508
190: ok 32509
190: ok 32510
190: ok 32511
190: ok 32512
190: ok 32513
190: ok 32514
190: ok 32515
190: ok 32516
190: ok 32517
190: ok 32518
190: ok 32519
190: ok 32520
190: ok 32521
190: ok 32522
190: ok 32523
190: ok 32524
190: ok 32525
190: ok 32526
190: ok 32527
190: ok 32528
190: ok 32529
190: ok 32530
190: ok 32531
190: ok 32532
190: ok 32533
190: ok 32534
190: ok 32535
190: ok 32536
190: ok 32537
190: ok 32538
190: ok 32539
190: ok 32540
190: ok 32541
190: ok 32542
190: ok 32543
190: ok 32544
190: ok 32545
190: ok 32546
190: ok 32547
190: ok 32548
190: ok 32549
190: ok 32550
190: ok 32551
190: ok 32552
190: ok 32553
190: ok 32554
190: ok 32555
190: ok 32556
190: ok 32557
190: ok 32558
190: ok 32559
190: ok 32560
190: ok 32561
190: ok 32562
190: ok 32563
190: ok 32564
190: ok 32565
190: ok 32566
190: ok 32567
190: ok 32568
190: ok 32569
190: ok 32570
190: ok 32571
190: ok 32572
190: ok 32573
190: ok 32574
190: ok 32575
190: ok 32576
190: ok 32577
190: ok 32578
190: ok 32579
190: ok 32580
190: ok 32581
190: ok 32582
190: ok 32583
190: ok 32584
190: ok 32585
190: ok 32586
190: ok 32587
190: ok 32588
190: ok 32589
190: ok 32590
190: ok 32591
190: ok 32592
190: ok 32593
190: ok 32594
190: ok 32595
190: ok 32596
190: ok 32597
190: ok 32598
190: ok 32599
190: ok 32600
190: ok 32601
190: ok 32602
190: ok 32603
190: ok 32604
190: ok 32605
190: ok 32606
190: ok 32607
190: ok 32608
190: ok 32609
190: ok 32610
190: ok 32611
190: ok 32612
190: ok 32613
190: ok 32614
190: ok 32615
190: ok 32616
190: ok 32617
190: ok 32618
190: ok 32619
190: ok 32620
190: ok 32621
190: ok 32622
190: ok 32623
190: ok 32624
190: ok 32625
190: ok 32626
190: ok 32627
190: ok 32628
190: ok 32629
190: ok 32630
190: ok 32631
190: ok 32632
190: ok 32633
190: ok 32634
190: ok 32635
190: ok 32636
190: ok 32637
190: ok 32638
190: ok 32639
190: ok 32640
190: ok 32641
190: ok 32642
190: ok 32643
190: ok 32644
190: ok 32645
190: ok 32646
190: ok 32647
190: ok 32648
190: ok 32649
190: ok 32650
190: ok 32651
190: ok 32652
190: ok 32653
190: ok 32654
190: ok 32655
190: ok 32656
190: ok 32657
190: ok 32658
190: ok 32659
190: ok 32660
190: ok 32661
190: ok 32662
190: ok 32663
190: ok 32664
190: ok 32665
190: ok 32666
190: ok 32667
190: ok 32668
190: ok 32669
190: ok 32670
190: ok 32671
190: ok 32672
190: ok 32673
190: ok 32674
190: ok 32675
190: ok 32676
190: ok 32677
190: ok 32678
190: ok 32679
190: ok 32680
190: ok 32681
190: ok 32682
190: ok 32683
190: ok 32684
190: ok 32685
190: ok 32686
190: ok 32687
190: ok 32688
190: ok 32689
190: ok 32690
190: ok 32691
190: ok 32692
190: ok 32693
190: ok 32694
190: ok 32695
190: ok 32696
190: ok 32697
190: ok 32698
190: ok 32699
190: ok 32700
190: ok 32701
190: ok 32702
190: ok 32703
190: ok 32704
190: ok 32705
190: ok 32706
190: ok 32707
190: ok 32708
190: ok 32709
190: ok 32710
190: ok 32711
190: ok 32712
190: ok 32713
190: ok 32714
190: ok 32715
190: ok 32716
190: ok 32717
190: ok 32718
190: ok 32719
190: ok 32720
190: ok 32721
190: ok 32722
190: ok 32723
190: ok 32724
190: ok 32725
190: ok 32726
190: ok 32727
190: ok 32728
190: ok 32729
190: ok 32730
190: ok 32731
190: ok 32732
190: ok 32733
190: ok 32734
190: ok 32735
190: ok 32736
190: ok 32737
190: ok 32738
190: ok 32739
190: ok 32740
190: ok 32741
190: ok 32742
190: ok 32743
190: ok 32744
190: ok 32745
190: ok 32746
190: ok 32747
190: ok 32748
190: ok 32749
190: ok 32750
190: ok 32751
190: ok 32752
190: ok 32753
190: ok 32754
190: ok 32755
190: ok 32756
190: ok 32757
190: ok 32758
190: ok 32759
190: ok 32760
190: ok 32761
190: ok 32762
190: ok 32763
190: ok 32764
190: ok 32765
190: ok 32766
190: ok 32767
190: ok 32768
190: ok 32769
190: ok 32770
190: ok 32771
190: ok 32772
190: ok 32773
190: ok 32774
190: ok 32775
190: ok 32776
190: ok 32777
190: ok 32778
190: ok 32779
190: ok 32780
190: ok 32781
190: ok 32782
190: ok 32783
190: ok 32784
190: ok 32785
190: ok 32786
190: ok 32787
190: ok 32788
190: ok 32789
190: ok 32790
190: ok 32791
190: ok 32792
190: ok 32793
190: ok 32794
190: ok 32795
190: ok 32796
190: ok 32797
190: ok 32798
190: ok 32799
190: ok 32800
190: ok 32801
190: ok 32802
190: ok 32803
190: ok 32804
190: ok 32805
190: ok 32806
190: ok 32807
190: ok 32808
190: ok 32809
190: ok 32810
190: ok 32811
190: ok 32812
190: ok 32813
190: ok 32814
190: ok 32815
190: ok 32816
190: ok 32817
190: ok 32818
190: ok 32819
190: ok 32820
190: ok 32821
190: ok 32822
190: ok 32823
190: ok 32824
190: ok 32825
190: ok 32826
190: ok 32827
190: ok 32828
190: ok 32829
190: ok 32830
190: ok 32831
190: ok 32832
190: ok 32833
190: ok 32834
190: ok 32835
190: ok 32836
190: ok 32837
190: ok 32838
190: ok 32839
190: ok 32840
190: ok 32841
190: ok 32842
190: ok 32843
190: ok 32844
190: ok 32845
190: ok 32846
190: ok 32847
190: ok 32848
190: ok 32849
190: ok 32850
190: ok 32851
190: ok 32852
190: ok 32853
190: ok 32854
190: ok 32855
190: ok 32856
190: ok 32857
190: ok 32858
190: ok 32859
190: ok 32860
190: ok 32861
190: ok 32862
190: ok 32863
190: ok 32864
190: ok 32865
190: ok 32866
190: ok 32867
190: ok 32868
190: ok 32869
190: ok 32870
190: ok 32871
190: ok 32872
190: ok 32873
190: ok 32874
190: ok 32875
190: ok 32876
190: ok 32877
190: ok 32878
190: ok 32879
190: ok 32880
190: ok 32881
190: ok 32882
190: ok 32883
190: ok 32884
190: ok 32885
190: ok 32886
190: ok 32887
190: ok 32888
190: ok 32889
190: ok 32890
190: ok 32891
190: ok 32892
190: ok 32893
190: ok 32894
190: ok 32895
190: ok 32896
190: ok 32897
190: ok 32898
190: ok 32899
190: ok 32900
190: ok 32901
190: ok 32902
190: ok 32903
190: ok 32904
190: ok 32905
190: ok 32906
190: ok 32907
190: ok 32908
190: ok 32909
190: ok 32910
190: ok 32911
190: ok 32912
190: ok 32913
190: ok 32914
190: ok 32915
190: ok 32916
190: ok 32917
190: ok 32918
190: ok 32919
190: ok 32920
190: ok 32921
190: ok 32922
190: ok 32923
190: ok 32924
190: ok 32925
190: ok 32926
190: ok 32927
190: ok 32928
190: ok 32929
190: ok 32930
190: ok 32931
190: ok 32932
190: ok 32933
190: ok 32934
190: ok 32935
190: ok 32936
190: ok 32937
190: ok 32938
190: ok 32939
190: ok 32940
190: ok 32941
190: ok 32942
190: ok 32943
190: ok 32944
190: ok 32945
190: ok 32946
190: ok 32947
190: ok 32948
190: ok 32949
190: ok 32950
190: ok 32951
190: ok 32952
190: ok 32953
190: ok 32954
190: ok 32955
190: ok 32956
190: ok 32957
190: ok 32958
190: ok 32959
190: ok 32960
190: ok 32961
190: ok 32962
190: ok 32963
190: ok 32964
190: ok 32965
190: ok 32966
190: ok 32967
190: ok 32968
190: ok 32969
190: ok 32970
190: ok 32971
190: ok 32972
190: ok 32973
190: ok 32974
190: ok 32975
190: ok 32976
190: ok 32977
190: ok 32978
190: ok 32979
190: ok 32980
190: ok 32981
190: ok 32982
190: ok 32983
190: ok 32984
190: ok 32985
190: ok 32986
190: ok 32987
190: ok 32988
190: ok 32989
190: ok 32990
190: ok 32991
190: ok 32992
190: ok 32993
190: ok 32994
190: ok 32995
190: ok 32996
190: ok 32997
190: ok 32998
190: ok 32999
190: ok 33000
190: ok 33001
190: ok 33002
190: ok 33003
190: ok 33004
190: ok 33005
190: ok 33006
190: ok 33007
190: ok 33008
190: ok 33009
190: ok 33010
190: ok 33011
190: ok 33012
190: ok 33013
190: ok 33014
190: ok 33015
190: ok 33016
190: ok 33017
190: ok 33018
190: ok 33019
190: ok 33020
190: ok 33021
190: ok 33022
190: ok 33023
190: ok 33024
190: ok 33025
190: ok 33026
190: ok 33027
190: ok 33028
190: ok 33029
190: ok 33030
190: ok 33031
190: ok 33032
190: ok 33033
190: ok 33034
190: ok 33035
190: ok 33036
190: ok 33037
190: ok 33038
190: ok 33039
190: ok 33040
190: ok 33041
190: ok 33042
190: ok 33043
190: ok 33044
190: ok 33045
190: ok 33046
190: ok 33047
190: ok 33048
190: ok 33049
190: ok 33050
190: ok 33051
190: ok 33052
190: ok 33053
190: ok 33054
190: ok 33055
190: ok 33056
190: ok 33057
190: ok 33058
190: ok 33059
190: ok 33060
190: ok 33061
190: ok 33062
190: ok 33063
190: ok 33064
190: ok 33065
190: ok 33066
190: ok 33067
190: ok 33068
190: ok 33069
190: ok 33070
190: ok 33071
190: ok 33072
190: ok 33073
190: ok 33074
190: ok 33075
190: ok 33076
190: ok 33077
190: ok 33078
190: ok 33079
190: ok 33080
190: ok 33081
190: ok 33082
190: ok 33083
190: ok 33084
190: ok 33085
190: ok 33086
190: ok 33087
190: ok 33088
190: ok 33089
190: ok 33090
190: ok 33091
190: ok 33092
190: ok 33093
190: ok 33094
190: ok 33095
190: ok 33096
190: ok 33097
190: ok 33098
190: ok 33099
190: ok 33100
190: ok 33101
190: ok 33102
190: ok 33103
190: ok 33104
190: ok 33105
190: ok 33106
190: ok 33107
190: ok 33108
190: ok 33109
190: ok 33110
190: ok 33111
190: ok 33112
190: ok 33113
190: ok 33114
190: ok 33115
190: ok 33116
190: ok 33117
190: ok 33118
190: ok 33119
190: ok 33120
190: ok 33121
190: ok 33122
190: ok 33123
190: ok 33124
190: ok 33125
190: ok 33126
190: ok 33127
190: ok 33128
190: ok 33129
190: ok 33130
190: ok 33131
190: ok 33132
190: ok 33133
190: ok 33134
190: ok 33135
190: ok 33136
190: ok 33137
190: ok 33138
190: ok 33139
190: ok 33140
190: ok 33141
190: ok 33142
190: ok 33143
190: ok 33144
190: ok 33145
190: ok 33146
190: ok 33147
190: ok 33148
190: ok 33149
190: ok 33150
190: ok 33151
190: ok 33152
190: ok 33153
190: ok 33154
190: ok 33155
190: ok 33156
190: ok 33157
190: ok 33158
190: ok 33159
190: ok 33160
190: ok 33161
190: ok 33162
190: ok 33163
190: ok 33164
190: ok 33165
190: ok 33166
190: ok 33167
190: ok 33168
190: ok 33169
190: ok 33170
190: ok 33171
190: ok 33172
190: ok 33173
190: ok 33174
190: ok 33175
190: ok 33176
190: ok 33177
190: ok 33178
190: ok 33179
190: ok 33180
190: ok 33181
190: ok 33182
190: ok 33183
190: ok 33184
190: ok 33185
190: ok 33186
190: ok 33187
190: ok 33188
190: ok 33189
190: ok 33190
190: ok 33191
190: ok 33192
190: ok 33193
190: ok 33194
190: ok 33195
190: ok 33196
190: ok 33197
190: ok 33198
190: ok 33199
190: ok 33200
190: ok 33201
190: ok 33202
190: ok 33203
190: ok 33204
190: ok 33205
190: ok 33206
190: ok 33207
190: ok 33208
190: ok 33209
190: ok 33210
190: ok 33211
190: ok 33212
190: ok 33213
190: ok 33214
190: ok 33215
190: ok 33216
190: ok 33217
190: ok 33218
190: ok 33219
190: ok 33220
190: ok 33221
190: ok 33222
190: ok 33223
190: ok 33224
190: ok 33225
190: ok 33226
190: ok 33227
190: ok 33228
190: ok 33229
190: ok 33230
190: ok 33231
190: ok 33232
190: ok 33233
190: ok 33234
190: ok 33235
190: ok 33236
190: ok 33237
190: ok 33238
190: ok 33239
190: ok 33240
190: ok 33241
190: ok 33242
190: ok 33243
190: ok 33244
190: ok 33245
190: ok 33246
190: ok 33247
190: ok 33248
190: ok 33249
190: ok 33250
190: ok 33251
190: ok 33252
190: ok 33253
190: ok 33254
190: ok 33255
190: ok 33256
190: ok 33257
190: ok 33258
190: ok 33259
190: ok 33260
190: ok 33261
190: ok 33262
190: ok 33263
190: ok 33264
190: ok 33265
190: ok 33266
190: ok 33267
190: ok 33268
190: ok 33269
190: ok 33270
190: ok 33271
190: ok 33272
190: ok 33273
190: ok 33274
190: ok 33275
190: ok 33276
190: ok 33277
190: ok 33278
190: ok 33279
190: ok 33280
190: ok 33281
190: ok 33282
190: ok 33283
190: ok 33284
190: ok 33285
190: ok 33286
190: ok 33287
190: ok 33288
190: ok 33289
190: ok 33290
190: ok 33291
190: ok 33292
190: ok 33293
190: ok 33294
190: ok 33295
190: ok 33296
190: ok 33297
190: ok 33298
190: ok 33299
190: ok 33300
190: ok 33301
190: ok 33302
190: ok 33303
190: ok 33304
190: ok 33305
190: ok 33306
190: ok 33307
190: ok 33308
190: ok 33309
190: ok 33310
190: ok 33311
190: ok 33312
190: ok 33313
190: ok 33314
190: ok 33315
190: ok 33316
190: ok 33317
190: ok 33318
190: ok 33319
190: ok 33320
190: ok 33321
190: ok 33322
190: ok 33323
190: ok 33324
190: ok 33325
190: ok 33326
190: ok 33327
190: ok 33328
190: ok 33329
190: ok 33330
190: ok 33331
190: ok 33332
190: ok 33333
190: ok 33334
190: ok 33335
190: ok 33336
190: ok 33337
190: ok 33338
190: ok 33339
190: ok 33340
190: ok 33341
190: ok 33342
190: ok 33343
190: ok 33344
190: ok 33345
190: ok 33346
190: ok 33347
190: ok 33348
190: ok 33349
190: ok 33350
190: ok 33351
190: ok 33352
190: ok 33353
190: ok 33354
190: ok 33355
190: ok 33356
190: ok 33357
190: ok 33358
190: ok 33359
190: ok 33360
190: ok 33361
190: ok 33362
190: ok 33363
190: ok 33364
190: ok 33365
190: ok 33366
190: ok 33367
190: ok 33368
190: ok 33369
190: ok 33370
190: ok 33371
190: ok 33372
190: ok 33373
190: ok 33374
190: ok 33375
190: ok 33376
190: ok 33377
190: ok 33378
190: ok 33379
190: ok 33380
190: ok 33381
190: ok 33382
190: ok 33383
190: ok 33384
190: ok 33385
190: ok 33386
190: ok 33387
190: ok 33388
190: ok 33389
190: ok 33390
190: ok 33391
190: ok 33392
190: ok 33393
190: ok 33394
190: ok 33395
190: ok 33396
190: ok 33397
190: ok 33398
190: ok 33399
190: ok 33400
190: ok 33401
190: ok 33402
190: ok 33403
190: ok 33404
190: ok 33405
190: ok 33406
190: ok 33407
190: ok 33408
190: ok 33409
190: ok 33410
190: ok 33411
190: ok 33412
190: ok 33413
190: ok 33414
190: ok 33415
190: ok 33416
190: ok 33417
190: ok 33418
190: ok 33419
190: ok 33420
190: ok 33421
190: ok 33422
190: ok 33423
190: ok 33424
190: ok 33425
190: ok 33426
190: ok 33427
190: ok 33428
190: ok 33429
190: ok 33430
190: ok 33431
190: ok 33432
190: ok 33433
190: ok 33434
190: ok 33435
190: ok 33436
190: ok 33437
190: ok 33438
190: ok 33439
190: ok 33440
190: ok 33441
190: ok 33442
190: ok 33443
190: ok 33444
190: ok 33445
190: ok 33446
190: ok 33447
190: ok 33448
190: ok 33449
190: ok 33450
190: ok 33451
190: ok 33452
190: ok 33453
190: ok 33454
190: ok 33455
190: ok 33456
190: ok 33457
190: ok 33458
190: ok 33459
190: ok 33460
190: ok 33461
190: ok 33462
190: ok 33463
190: ok 33464
190: ok 33465
190: ok 33466
190: ok 33467
190: ok 33468
190: ok 33469
190: ok 33470
190: ok 33471
190: ok 33472
190: ok 33473
190: ok 33474
190: ok 33475
190: ok 33476
190: ok 33477
190: ok 33478
190: ok 33479
190: ok 33480
190: ok 33481
190: ok 33482
190: ok 33483
190: ok 33484
190: ok 33485
190: ok 33486
190: ok 33487
190: ok 33488
190: ok 33489
190: ok 33490
190: ok 33491
190: ok 33492
190: ok 33493
190: ok 33494
190: ok 33495
190: ok 33496
190: ok 33497
190: ok 33498
190: ok 33499
190: ok 33500
190: ok 33501
190: ok 33502
190: ok 33503
190: ok 33504
190: ok 33505
190: ok 33506
190: ok 33507
190: ok 33508
190: ok 33509
190: ok 33510
190: ok 33511
190: ok 33512
190: ok 33513
190: ok 33514
190: ok 33515
190: ok 33516
190: ok 33517
190: ok 33518
190: ok 33519
190: ok 33520
190: ok 33521
190: ok 33522
190: ok 33523
190: ok 33524
190: ok 33525
190: ok 33526
190: ok 33527
190: ok 33528
190: ok 33529
190: ok 33530
190: ok 33531
190: ok 33532
190: ok 33533
190: ok 33534
190: ok 33535
190: ok 33536
190: ok 33537
190: ok 33538
190: ok 33539
190: ok 33540
190: ok 33541
190: ok 33542
190: ok 33543
190: ok 33544
190: ok 33545
190: ok 33546
190: ok 33547
190: ok 33548
190: ok 33549
190: ok 33550
190: ok 33551
190: ok 33552
190: ok 33553
190: ok 33554
190: ok 33555
190: ok 33556
190: ok 33557
190: ok 33558
190: ok 33559
190: ok 33560
190: ok 33561
190: ok 33562
190: ok 33563
190: ok 33564
190: ok 33565
190: ok 33566
190: ok 33567
190: ok 33568
190: ok 33569
190: ok 33570
190: ok 33571
190: ok 33572
190: ok 33573
190: ok 33574
190: ok 33575
190: ok 33576
190: ok 33577
190: ok 33578
190: ok 33579
190: ok 33580
190: ok 33581
190: ok 33582
190: ok 33583
190: ok 33584
190: ok 33585
190: ok 33586
190: ok 33587
190: ok 33588
190: ok 33589
190: ok 33590
190: ok 33591
190: ok 33592
190: ok 33593
190: ok 33594
190: ok 33595
190: ok 33596
190: ok 33597
190: ok 33598
190: ok 33599
190: ok 33600
190: ok 33601
190: ok 33602
190: ok 33603
190: ok 33604
190: ok 33605
190: ok 33606
190: ok 33607
190: ok 33608
190: ok 33609
190: ok 33610
190: ok 33611
190: ok 33612
190: ok 33613
190: ok 33614
190: ok 33615
190: ok 33616
190: ok 33617
190: ok 33618
190: ok 33619
190: ok 33620
190: ok 33621
190: ok 33622
190: ok 33623
190: ok 33624
190: ok 33625
190: ok 33626
190: ok 33627
190: ok 33628
190: ok 33629
190: ok 33630
190: ok 33631
190: ok 33632
190: ok 33633
190: ok 33634
190: ok 33635
190: ok 33636
190: ok 33637
190: ok 33638
190: ok 33639
190: ok 33640
190: ok 33641
190: ok 33642
190: ok 33643
190: ok 33644
190: ok 33645
190: ok 33646
190: ok 33647
190: ok 33648
190: ok 33649
190: ok 33650
190: ok 33651
190: ok 33652
190: ok 33653
190: ok 33654
190: ok 33655
190: ok 33656
190: ok 33657
190: ok 33658
190: ok 33659
190: ok 33660
190: ok 33661
190: ok 33662
190: ok 33663
190: ok 33664
190: ok 33665
190: ok 33666
190: ok 33667
190: ok 33668
190: ok 33669
190: ok 33670
190: ok 33671
190: ok 33672
190: ok 33673
190: ok 33674
190: ok 33675
190: ok 33676
190: ok 33677
190: ok 33678
190: ok 33679
190: ok 33680
190: ok 33681
190: ok 33682
190: ok 33683
190: ok 33684
190: ok 33685
190: ok 33686
190: ok 33687
190: ok 33688
190: ok 33689
190: ok 33690
190: ok 33691
190: ok 33692
190: ok 33693
190: ok 33694
190: ok 33695
190: ok 33696
190: ok 33697
190: ok 33698
190: ok 33699
190: ok 33700
190: ok 33701
190: ok 33702
190: ok 33703
190: ok 33704
190: ok 33705
190: ok 33706
190: ok 33707
190: ok 33708
190: ok 33709
190: ok 33710
190: ok 33711
190: ok 33712
190: ok 33713
190: ok 33714
190: ok 33715
190: ok 33716
190: ok 33717
190: ok 33718
190: ok 33719
190: ok 33720
190: ok 33721
190: ok 33722
190: ok 33723
190: ok 33724
190: ok 33725
190: ok 33726
190: ok 33727
190: ok 33728
190: ok 33729
190: ok 33730
190: ok 33731
190: ok 33732
190: ok 33733
190: ok 33734
190: ok 33735
190: ok 33736
190: ok 33737
190: ok 33738
190: ok 33739
190: ok 33740
190: ok 33741
190: ok 33742
190: ok 33743
190: ok 33744
190: ok 33745
190: ok 33746
190: ok 33747
190: ok 33748
190: ok 33749
190: ok 33750
190: ok 33751
190: ok 33752
190: ok 33753
190: ok 33754
190: ok 33755
190: ok 33756
190: ok 33757
190: ok 33758
190: ok 33759
190: ok 33760
190: ok 33761
190: ok 33762
190: ok 33763
190: ok 33764
190: ok 33765
190: ok 33766
190: ok 33767
190: ok 33768
190: ok 33769
190: ok 33770
190: ok 33771
190: ok 33772
190: ok 33773
190: ok 33774
190: ok 33775
190: ok 33776
190: ok 33777
190: ok 33778
190: ok 33779
190: ok 33780
190: ok 33781
190: ok 33782
190: ok 33783
190: ok 33784
190: ok 33785
190: ok 33786
190: ok 33787
190: ok 33788
190: ok 33789
190: ok 33790
190: ok 33791
190: ok 33792
190: ok 33793
190: ok 33794
190: ok 33795
190: ok 33796
190: ok 33797
190: ok 33798
190: ok 33799
190: ok 33800
190: ok 33801
190: ok 33802
190: ok 33803
190: ok 33804
190: ok 33805
190: ok 33806
190: ok 33807
190: ok 33808
190: ok 33809
190: ok 33810
190: ok 33811
190: ok 33812
190: ok 33813
190: ok 33814
190: ok 33815
190: ok 33816
190: ok 33817
190: ok 33818
190: ok 33819
190: ok 33820
190: ok 33821
190: ok 33822
190: ok 33823
190: ok 33824
190: ok 33825
190: ok 33826
190: ok 33827
190: ok 33828
190: ok 33829
190: ok 33830
190: ok 33831
190: ok 33832
190: ok 33833
190: ok 33834
190: ok 33835
190: ok 33836
190: ok 33837
190: ok 33838
190: ok 33839
190: ok 33840
190: ok 33841
190: ok 33842
190: ok 33843
190: ok 33844
190: ok 33845
190: ok 33846
190: ok 33847
190: ok 33848
190: ok 33849
190: ok 33850
190: ok 33851
190: ok 33852
190: ok 33853
190: ok 33854
190: ok 33855
190: ok 33856
190: ok 33857
190: ok 33858
190: ok 33859
190: ok 33860
190: ok 33861
190: ok 33862
190: ok 33863
190: ok 33864
190: ok 33865
190: ok 33866
190: ok 33867
190: ok 33868
190: ok 33869
190: ok 33870
190: ok 33871
190: ok 33872
190: ok 33873
190: ok 33874
190: ok 33875
190: ok 33876
190: ok 33877
190: ok 33878
190: ok 33879
190: ok 33880
190: ok 33881
190: ok 33882
190: ok 33883
190: ok 33884
190: ok 33885
190: ok 33886
190: ok 33887
190: ok 33888
190: ok 33889
190: ok 33890
190: ok 33891
190: ok 33892
190: ok 33893
190: ok 33894
190: ok 33895
190: ok 33896
190: ok 33897
190: ok 33898
190: ok 33899
190: ok 33900
190: ok 33901
190: ok 33902
190: ok 33903
190: ok 33904
190: ok 33905
190: ok 33906
190: ok 33907
190: ok 33908
190: ok 33909
190: ok 33910
190: ok 33911
190: ok 33912
190: ok 33913
190: ok 33914
190: ok 33915
190: ok 33916
190: ok 33917
190: ok 33918
190: ok 33919
190: ok 33920
190: ok 33921
190: ok 33922
190: ok 33923
190: ok 33924
190: ok 33925
190: ok 33926
190: ok 33927
190: ok 33928
190: ok 33929
190: ok 33930
190: ok 33931
190: ok 33932
190: ok 33933
190: ok 33934
190: ok 33935
190: ok 33936
190: ok 33937
190: ok 33938
190: ok 33939
190: ok 33940
190: ok 33941
190: ok 33942
190: ok 33943
190: ok 33944
190: ok 33945
190: ok 33946
190: ok 33947
190: ok 33948
190: ok 33949
190: ok 33950
190: ok 33951
190: ok 33952
190: ok 33953
190: ok 33954
190: ok 33955
190: ok 33956
190: ok 33957
190: ok 33958
190: ok 33959
190: ok 33960
190: ok 33961
190: ok 33962
190: ok 33963
190: ok 33964
190: ok 33965
190: ok 33966
190: ok 33967
190: ok 33968
190: ok 33969
190: ok 33970
190: ok 33971
190: ok 33972
190: ok 33973
190: ok 33974
190: ok 33975
190: ok 33976
190: ok 33977
190: ok 33978
190: ok 33979
190: ok 33980
190: ok 33981
190: ok 33982
190: ok 33983
190: ok 33984
190: ok 33985
190: ok 33986
190: ok 33987
190: ok 33988
190: ok 33989
190: ok 33990
190: ok 33991
190: ok 33992
190: ok 33993
190: ok 33994
190: ok 33995
190: ok 33996
190: ok 33997
190: ok 33998
190: ok 33999
190: ok 34000
190: ok 34001
190: ok 34002
190: ok 34003
190: ok 34004
190: ok 34005
190: ok 34006
190: ok 34007
190: ok 34008
190: ok 34009
190: ok 34010
190: ok 34011
190: ok 34012
190: ok 34013
190: ok 34014
190: ok 34015
190: ok 34016
190: ok 34017
190: ok 34018
190: ok 34019
190: ok 34020
190: ok 34021
190: ok 34022
190: ok 34023
190: ok 34024
190: ok 34025
190: ok 34026
190: ok 34027
190: ok 34028
190: ok 34029
190: ok 34030
190: ok 34031
190: ok 34032
190: ok 34033
190: ok 34034
190: ok 34035
190: ok 34036
190: ok 34037
190: ok 34038
190: ok 34039
190: ok 34040
190: ok 34041
190: ok 34042
190: ok 34043
190: ok 34044
190: ok 34045
190: ok 34046
190: ok 34047
190: ok 34048
190: ok 34049
190: ok 34050
190: ok 34051
190: ok 34052
190: ok 34053
190: ok 34054
190: ok 34055
190: ok 34056
190: ok 34057
190: ok 34058
190: ok 34059
190: ok 34060
190: ok 34061
190: ok 34062
190: ok 34063
190: ok 34064
190: ok 34065
190: ok 34066
190: ok 34067
190: ok 34068
190: ok 34069
190: ok 34070
190: ok 34071
190: ok 34072
190: ok 34073
190: ok 34074
190: ok 34075
190: ok 34076
190: ok 34077
190: ok 34078
190: ok 34079
190: ok 34080
190: ok 34081
190: ok 34082
190: ok 34083
190: ok 34084
190: ok 34085
190: ok 34086
190: ok 34087
190: ok 34088
190: ok 34089
190: ok 34090
190: ok 34091
190: ok 34092
190: ok 34093
190: ok 34094
190: ok 34095
190: ok 34096
190: ok 34097
190: ok 34098
190: ok 34099
190: ok 34100
190: ok 34101
190: ok 34102
190: ok 34103
190: ok 34104
190: ok 34105
190: ok 34106
190: ok 34107
190: ok 34108
190: ok 34109
190: ok 34110
190: ok 34111
190: ok 34112
190: ok 34113
190: ok 34114
190: ok 34115
190: ok 34116
190: ok 34117
190: ok 34118
190: ok 34119
190: ok 34120
190: ok 34121
190: ok 34122
190: ok 34123
190: ok 34124
190: ok 34125
190: ok 34126
190: ok 34127
190: ok 34128
190: ok 34129
190: ok 34130
190: ok 34131
190: ok 34132
190: ok 34133
190: ok 34134
190: ok 34135
190: ok 34136
190: ok 34137
190: ok 34138
190: ok 34139
190: ok 34140
190: ok 34141
190: ok 34142
190: ok 34143
190: ok 34144
190: ok 34145
190: ok 34146
190: ok 34147
190: ok 34148
190: ok 34149
190: ok 34150
190: ok 34151
190: ok 34152
190: ok 34153
190: ok 34154
190: ok 34155
190: ok 34156
190: ok 34157
190: ok 34158
190: ok 34159
190: ok 34160
190: ok 34161
190: ok 34162
190: ok 34163
190: ok 34164
190: ok 34165
190: ok 34166
190: ok 34167
190: ok 34168
190: ok 34169
190: ok 34170
190: ok 34171
190: ok 34172
190: ok 34173
190: ok 34174
190: ok 34175
190: ok 34176
190: ok 34177
190: ok 34178
190: ok 34179
190: ok 34180
190: ok 34181
190: ok 34182
190: ok 34183
190: ok 34184
190: ok 34185
190: ok 34186
190: ok 34187
190: ok 34188
190: ok 34189
190: ok 34190
190: ok 34191
190: ok 34192
190: ok 34193
190: ok 34194
190: ok 34195
190: ok 34196
190: ok 34197
190: ok 34198
190: ok 34199
190: ok 34200
190: ok 34201
190: ok 34202
190: ok 34203
190: ok 34204
190: ok 34205
190: ok 34206
190: ok 34207
190: ok 34208
190: ok 34209
190: ok 34210
190: ok 34211
190: ok 34212
190: ok 34213
190: ok 34214
190: ok 34215
190: ok 34216
190: ok 34217
190: ok 34218
190: ok 34219
190: ok 34220
190: ok 34221
190: ok 34222
190: ok 34223
190: ok 34224
190: ok 34225
190: ok 34226
190: ok 34227
190: ok 34228
190: ok 34229
190: ok 34230
190: ok 34231
190: ok 34232
190: ok 34233
190: ok 34234
190: ok 34235
190: ok 34236
190: ok 34237
190: ok 34238
190: ok 34239
190: ok 34240
190: ok 34241
190: ok 34242
190: ok 34243
190: ok 34244
190: ok 34245
190: ok 34246
190: ok 34247
190: ok 34248
190: ok 34249
190: ok 34250
190: ok 34251
190: ok 34252
190: ok 34253
190: ok 34254
190: ok 34255
190: ok 34256
190: ok 34257
190: ok 34258
190: ok 34259
190: ok 34260
190: ok 34261
190: ok 34262
190: ok 34263
190: ok 34264
190: ok 34265
190: ok 34266
190: ok 34267
190: ok 34268
190: ok 34269
190: ok 34270
190: ok 34271
190: ok 34272
190: ok 34273
190: ok 34274
190: ok 34275
190: ok 34276
190: ok 34277
190: ok 34278
190: ok 34279
190: ok 34280
190: ok 34281
190: ok 34282
190: ok 34283
190: ok 34284
190: ok 34285
190: ok 34286
190: ok 34287
190: ok 34288
190: ok 34289
190: ok 34290
190: ok 34291
190: ok 34292
190: ok 34293
190: ok 34294
190: ok 34295
190: ok 34296
190: ok 34297
190: ok 34298
190: ok 34299
190: ok 34300
190: ok 34301
190: ok 34302
190: ok 34303
190: ok 34304
190: ok 34305
190: ok 34306
190: ok 34307
190: ok 34308
190: ok 34309
190: ok 34310
190: ok 34311
190: ok 34312
190: ok 34313
190: ok 34314
190: ok 34315
190: ok 34316
190: ok 34317
190: ok 34318
190: ok 34319
190: ok 34320
190: ok 34321
190: ok 34322
190: ok 34323
190: ok 34324
190: ok 34325
190: ok 34326
190: ok 34327
190: ok 34328
190: ok 34329
190: ok 34330
190: ok 34331
190: ok 34332
190: ok 34333
190: ok 34334
190: ok 34335
190: ok 34336
190: ok 34337
190: ok 34338
190: ok 34339
190: ok 34340
190: ok 34341
190: ok 34342
190: ok 34343
190: ok 34344
190: ok 34345
190: ok 34346
190: ok 34347
190: ok 34348
190: ok 34349
190: ok 34350
190: ok 34351
190: ok 34352
190: ok 34353
190: ok 34354
190: ok 34355
190: ok 34356
190: ok 34357
190: ok 34358
190: ok 34359
190: ok 34360
190: ok 34361
190: ok 34362
190: ok 34363
190: ok 34364
190: ok 34365
190: ok 34366
190: ok 34367
190: ok 34368
190: ok 34369
190: ok 34370
190: ok 34371
190: ok 34372
190: ok 34373
190: ok 34374
190: ok 34375
190: ok 34376
190: ok 34377
190: ok 34378
190: ok 34379
190: ok 34380
190: ok 34381
190: ok 34382
190: ok 34383
190: ok 34384
190: ok 34385
190: ok 34386
190: ok 34387
190: ok 34388
190: ok 34389
190: ok 34390
190: ok 34391
190: ok 34392
190: ok 34393
190: ok 34394
190: ok 34395
190: ok 34396
190: ok 34397
190: ok 34398
190: ok 34399
190: ok 34400
190: ok 34401
190: ok 34402
190: ok 34403
190: ok 34404
190: ok 34405
190: ok 34406
190: ok 34407
190: ok 34408
190: ok 34409
190: ok 34410
190: ok 34411
190: ok 34412
190: ok 34413
190: ok 34414
190: ok 34415
190: ok 34416
190: ok 34417
190: ok 34418
190: ok 34419
190: ok 34420
190: ok 34421
190: ok 34422
190: ok 34423
190: ok 34424
190: ok 34425
190: ok 34426
190: ok 34427
190: ok 34428
190: ok 34429
190: ok 34430
190: ok 34431
190: ok 34432
190: ok 34433
190: ok 34434
190: ok 34435
190: ok 34436
190: ok 34437
190: ok 34438
190: ok 34439
190: ok 34440
190: ok 34441
190: ok 34442
190: ok 34443
190: ok 34444
190: ok 34445
190: ok 34446
190: ok 34447
190: ok 34448
190: ok 34449
190: ok 34450
190: ok 34451
190: ok 34452
190: ok 34453
190: ok 34454
190: ok 34455
190: ok 34456
190: ok 34457
190: ok 34458
190: ok 34459
190: ok 34460
190: ok 34461
190: ok 34462
190: ok 34463
190: ok 34464
190: ok 34465
190: ok 34466
190: ok 34467
190: ok 34468
190: ok 34469
190: ok 34470
190: ok 34471
190: ok 34472
190: ok 34473
190: ok 34474
190: ok 34475
190: ok 34476
190: ok 34477
190: ok 34478
190: ok 34479
190: ok 34480
190: ok 34481
190: ok 34482
190: ok 34483
190: ok 34484
190: ok 34485
190: ok 34486
190: ok 34487
190: ok 34488
190: ok 34489
190: ok 34490
190: ok 34491
190: ok 34492
190: ok 34493
190: ok 34494
190: ok 34495
190: ok 34496
190: ok 34497
190: ok 34498
190: ok 34499
190: ok 34500
190: ok 34501
190: ok 34502
190: ok 34503
190: ok 34504
190: ok 34505
190: ok 34506
190: ok 34507
190: ok 34508
190: ok 34509
190: ok 34510
190: ok 34511
190: ok 34512
190: ok 34513
190: ok 34514
190: ok 34515
190: ok 34516
190: ok 34517
190: ok 34518
190: ok 34519
190: ok 34520
190: ok 34521
190: ok 34522
190: ok 34523
190: ok 34524
190: ok 34525
190: ok 34526
190: ok 34527
190: ok 34528
190: ok 34529
190: ok 34530
190: ok 34531
190: ok 34532
190: ok 34533
190: ok 34534
190: ok 34535
190: ok 34536
190: ok 34537
190: ok 34538
190: ok 34539
190: ok 34540
190: ok 34541
190: ok 34542
190: ok 34543
190: ok 34544
190: ok 34545
190: ok 34546
190: ok 34547
190: ok 34548
190: ok 34549
190: ok 34550
190: ok 34551
190: ok 34552
190: ok 34553
190: ok 34554
190: ok 34555
190: ok 34556
190: ok 34557
190: ok 34558
190: ok 34559
190: ok 34560
190: ok 34561
190: ok 34562
190: ok 34563
190: ok 34564
190: ok 34565
190: ok 34566
190: ok 34567
190: ok 34568
190: ok 34569
190: ok 34570
190: ok 34571
190: ok 34572
190: ok 34573
190: ok 34574
190: ok 34575
190: ok 34576
190: ok 34577
190: ok 34578
190: ok 34579
190: ok 34580
190: ok 34581
190: ok 34582
190: ok 34583
190: ok 34584
190: ok 34585
190: ok 34586
190: ok 34587
190: ok 34588
190: ok 34589
190: ok 34590
190: ok 34591
190: ok 34592
190: ok 34593
190: ok 34594
190: ok 34595
190: ok 34596
190: ok 34597
190: ok 34598
190: ok 34599
190: ok 34600
190: ok 34601
190: ok 34602
190: ok 34603
190: ok 34604
190: ok 34605
190: ok 34606
190: ok 34607
190: ok 34608
190: ok 34609
190: ok 34610
190: ok 34611
190: ok 34612
190: ok 34613
190: ok 34614
190: ok 34615
190: ok 34616
190: ok 34617
190: ok 34618
190: ok 34619
190: ok 34620
190: ok 34621
190: ok 34622
190: ok 34623
190: ok 34624
190: ok 34625
190: ok 34626
190: ok 34627
190: ok 34628
190: ok 34629
190: ok 34630
190: ok 34631
190: ok 34632
190: ok 34633
190: ok 34634
190: ok 34635
190: ok 34636
190: ok 34637
190: ok 34638
190: ok 34639
190: ok 34640
190: ok 34641
190: ok 34642
190: ok 34643
190: ok 34644
190: ok 34645
190: ok 34646
190: ok 34647
190: ok 34648
190: ok 34649
190: ok 34650
190: ok 34651
190: ok 34652
190: ok 34653
190: ok 34654
190: ok 34655
190: ok 34656
190: ok 34657
190: ok 34658
190: ok 34659
190: ok 34660
190: ok 34661
190: ok 34662
190: ok 34663
190: ok 34664
190: ok 34665
190: ok 34666
190: ok 34667
190: ok 34668
190: ok 34669
190: ok 34670
190: ok 34671
190: ok 34672
190: ok 34673
190: ok 34674
190: ok 34675
190: ok 34676
190: ok 34677
190: ok 34678
190: ok 34679
190: ok 34680
190: ok 34681
190: ok 34682
190: ok 34683
190: ok 34684
190: ok 34685
190: ok 34686
190: ok 34687
190: ok 34688
190: ok 34689
190: ok 34690
190: ok 34691
190: ok 34692
190: ok 34693
190: ok 34694
190: ok 34695
190: ok 34696
190: ok 34697
190: ok 34698
190: ok 34699
190: ok 34700
190: ok 34701
190: ok 34702
190: ok 34703
190: ok 34704
190: ok 34705
190: ok 34706
190: ok 34707
190: ok 34708
190: ok 34709
190: ok 34710
190: ok 34711
190: ok 34712
190: ok 34713
190: ok 34714
190: ok 34715
190: ok 34716
190: ok 34717
190: ok 34718
190: ok 34719
190: ok 34720
190: ok 34721
190: ok 34722
190: ok 34723
190: ok 34724
190: ok 34725
190: ok 34726
190: ok 34727
190: ok 34728
190: ok 34729
190: ok 34730
190: ok 34731
190: ok 34732
190: ok 34733
190: ok 34734
190: ok 34735
190: ok 34736
190: ok 34737
190: ok 34738
190: ok 34739
190: ok 34740
190: ok 34741
190: ok 34742
190: ok 34743
190: ok 34744
190: ok 34745
190: ok 34746
190: ok 34747
190: ok 34748
190: ok 34749
190: ok 34750
190: ok 34751
190: ok 34752
190: ok 34753
190: ok 34754
190: ok 34755
190: ok 34756
190: ok 34757
190: ok 34758
190: ok 34759
190: ok 34760
190: ok 34761
190: ok 34762
190: ok 34763
190: ok 34764
190: ok 34765
190: ok 34766
190: ok 34767
190: ok 34768
190: ok 34769
190: ok 34770
190: ok 34771
190: ok 34772
190: ok 34773
190: ok 34774
190: ok 34775
190: ok 34776
190: ok 34777
190: ok 34778
190: ok 34779
190: ok 34780
190: ok 34781
190: ok 34782
190: ok 34783
190: ok 34784
190: ok 34785
190: ok 34786
190: ok 34787
190: ok 34788
190: ok 34789
190: ok 34790
190: ok 34791
190: ok 34792
190: ok 34793
190: ok 34794
190: ok 34795
190: ok 34796
190: ok 34797
190: ok 34798
190: ok 34799
190: ok 34800
190: ok 34801
190: ok 34802
190: ok 34803
190: ok 34804
190: ok 34805
190: ok 34806
190: ok 34807
190: ok 34808
190: ok 34809
190: ok 34810
190: ok 34811
190: ok 34812
190: ok 34813
190: ok 34814
190: ok 34815
190: ok 34816
190: ok 34817
190: ok 34818
190: ok 34819
190: ok 34820
190: ok 34821
190: ok 34822
190: ok 34823
190: ok 34824
190: ok 34825
190: ok 34826
190: ok 34827
190: ok 34828
190: ok 34829
190: ok 34830
190: ok 34831
190: ok 34832
190: ok 34833
190: ok 34834
190: ok 34835
190: ok 34836
190: ok 34837
190: ok 34838
190: ok 34839
190: ok 34840
190: ok 34841
190: ok 34842
190: ok 34843
190: ok 34844
190: ok 34845
190: ok 34846
190: ok 34847
190: ok 34848
190: ok 34849
190: ok 34850
190: ok 34851
190: ok 34852
190: ok 34853
190: ok 34854
190: ok 34855
190: ok 34856
190: ok 34857
190: ok 34858
190: ok 34859
190: ok 34860
190: ok 34861
190: ok 34862
190: ok 34863
190: ok 34864
190: ok 34865
190: ok 34866
190: ok 34867
190: ok 34868
190: ok 34869
190: ok 34870
190: ok 34871
190: ok 34872
190: ok 34873
190: ok 34874
190: ok 34875
190: ok 34876
190: ok 34877
190: ok 34878
190: ok 34879
190: ok 34880
190: ok 34881
190: ok 34882
190: ok 34883
190: ok 34884
190: ok 34885
190: ok 34886
190: ok 34887
190: ok 34888
190: ok 34889
190: ok 34890
190: ok 34891
190: ok 34892
190: ok 34893
190: ok 34894
190: ok 34895
190: ok 34896
190: ok 34897
190: ok 34898
190: ok 34899
190: ok 34900
190: ok 34901
190: ok 34902
190: ok 34903
190: ok 34904
190: ok 34905
190: ok 34906
190: ok 34907
190: ok 34908
190: ok 34909
190: ok 34910
190: ok 34911
190: ok 34912
190: ok 34913
190: ok 34914
190: ok 34915
190: ok 34916
190: ok 34917
190: ok 34918
190: ok 34919
190: ok 34920
190: ok 34921
190: ok 34922
190: ok 34923
190: ok 34924
190: ok 34925
190: ok 34926
190: ok 34927
190: ok 34928
190: ok 34929
190: ok 34930
190: ok 34931
190: ok 34932
190: ok 34933
190: ok 34934
190: ok 34935
190: ok 34936
190: ok 34937
190: ok 34938
190: ok 34939
190: ok 34940
190: ok 34941
190: ok 34942
190: ok 34943
190: ok 34944
190: ok 34945
190: ok 34946
190: ok 34947
190: ok 34948
190: ok 34949
190: ok 34950
190: ok 34951
190: ok 34952
190: ok 34953
190: ok 34954
190: ok 34955
190: ok 34956
190: ok 34957
190: ok 34958
190: ok 34959
190: ok 34960
190: ok 34961
190: ok 34962
190: ok 34963
190: ok 34964
190: ok 34965
190: ok 34966
190: ok 34967
190: ok 34968
190: ok 34969
190: ok 34970
190: ok 34971
190: ok 34972
190: ok 34973
190: ok 34974
190: ok 34975
190: ok 34976
190: ok 34977
190: ok 34978
190: ok 34979
190: ok 34980
190: ok 34981
190: ok 34982
190: ok 34983
190: ok 34984
190: ok 34985
190: ok 34986
190: ok 34987
190: ok 34988
190: ok 34989
190: ok 34990
190: ok 34991
190: ok 34992
190: ok 34993
190: ok 34994
190: ok 34995
190: ok 34996
190: ok 34997
190: ok 34998
190: ok 34999
190: ok 35000
190: ok 35001
190: ok 35002
190: ok 35003
190: ok 35004
190: ok 35005
190: ok 35006
190: ok 35007
190: ok 35008
190: ok 35009
190: ok 35010
190: ok 35011
190: ok 35012
190: ok 35013
190: ok 35014
190: ok 35015
190: ok 35016
190: ok 35017
190: ok 35018
190: ok 35019
190: ok 35020
190: ok 35021
190: ok 35022
190: ok 35023
190: ok 35024
190: ok 35025
190: ok 35026
190: ok 35027
190: ok 35028
190: ok 35029
190: ok 35030
190: ok 35031
190: ok 35032
190: ok 35033
190: ok 35034
190: ok 35035
190: ok 35036
190: ok 35037
190: ok 35038
190: ok 35039
190: ok 35040
190: ok 35041
190: ok 35042
190: ok 35043
190: ok 35044
190: ok 35045
190: ok 35046
190: ok 35047
190: ok 35048
190: ok 35049
190: ok 35050
190: ok 35051
190: ok 35052
190: ok 35053
190: ok 35054
190: ok 35055
190: ok 35056
190: ok 35057
190: ok 35058
190: ok 35059
190: ok 35060
190: ok 35061
190: ok 35062
190: ok 35063
190: ok 35064
190: ok 35065
190: ok 35066
190: ok 35067
190: ok 35068
190: ok 35069
190: ok 35070
190: ok 35071
190: ok 35072
190: ok 35073
190: ok 35074
190: ok 35075
190: ok 35076
190: ok 35077
190: ok 35078
190: ok 35079
190: ok 35080
190: ok 35081
190: ok 35082
190: ok 35083
190: ok 35084
190: ok 35085
190: ok 35086
190: ok 35087
190: ok 35088
190: ok 35089
190: ok 35090
190: ok 35091
190: ok 35092
190: ok 35093
190: ok 35094
190: ok 35095
190: ok 35096
190: ok 35097
190: ok 35098
190: ok 35099
190: ok 35100
190: ok 35101
190: ok 35102
190: ok 35103
190: ok 35104
190: ok 35105
190: ok 35106
190: ok 35107
190: ok 35108
190: ok 35109
190: ok 35110
190: ok 35111
190: ok 35112
190: ok 35113
190: ok 35114
190: ok 35115
190: ok 35116
190: ok 35117
190: ok 35118
190: ok 35119
190: ok 35120
190: ok 35121
190: ok 35122
190: ok 35123
190: ok 35124
190: ok 35125
190: ok 35126
190: ok 35127
190: ok 35128
190: ok 35129
190: ok 35130
190: ok 35131
190: ok 35132
190: ok 35133
190: ok 35134
190: ok 35135
190: ok 35136
190: ok 35137
190: ok 35138
190: ok 35139
190: ok 35140
190: ok 35141
190: ok 35142
190: ok 35143
190: ok 35144
190: ok 35145
190: ok 35146
190: ok 35147
190: ok 35148
190: ok 35149
190: ok 35150
190: ok 35151
190: ok 35152
190: ok 35153
190: ok 35154
190: ok 35155
190: ok 35156
190: ok 35157
190: ok 35158
190: ok 35159
190: ok 35160
190: ok 35161
190: ok 35162
190: ok 35163
190: ok 35164
190: ok 35165
190: ok 35166
190: ok 35167
190: ok 35168
190: ok 35169
190: ok 35170
190: ok 35171
190: ok 35172
190: ok 35173
190: ok 35174
190: ok 35175
190: ok 35176
190: ok 35177
190: ok 35178
190: ok 35179
190: ok 35180
190: ok 35181
190: ok 35182
190: ok 35183
190: ok 35184
190: ok 35185
190: ok 35186
190: ok 35187
190: ok 35188
190: ok 35189
190: ok 35190
190: ok 35191
190: ok 35192
190: ok 35193
190: ok 35194
190: ok 35195
190: ok 35196
190: ok 35197
190: ok 35198
190: ok 35199
190: ok 35200
190: ok 35201
190: ok 35202
190: ok 35203
190: ok 35204
190: ok 35205
190: ok 35206
190: ok 35207
190: ok 35208
190: ok 35209
190: ok 35210
190: ok 35211
190: ok 35212
190: ok 35213
190: ok 35214
190: ok 35215
190: ok 35216
190: ok 35217
190: ok 35218
190: ok 35219
190: ok 35220
190: ok 35221
190: ok 35222
190: ok 35223
190: ok 35224
190: ok 35225
190: ok 35226
190: ok 35227
190: ok 35228
190: ok 35229
190: ok 35230
190: ok 35231
190: ok 35232
190: ok 35233
190: ok 35234
190: ok 35235
190: ok 35236
190: ok 35237
190: ok 35238
190: ok 35239
190: ok 35240
190: ok 35241
190: ok 35242
190: ok 35243
190: ok 35244
190: ok 35245
190: ok 35246
190: ok 35247
190: ok 35248
190: ok 35249
190: ok 35250
190: ok 35251
190: ok 35252
190: ok 35253
190: ok 35254
190: ok 35255
190: ok 35256
190: ok 35257
190: ok 35258
190: ok 35259
190: ok 35260
190: ok 35261
190: ok 35262
190: ok 35263
190: ok 35264
190: ok 35265
190: ok 35266
190: ok 35267
190: ok 35268
190: ok 35269
190: ok 35270
190: ok 35271
190: ok 35272
190: ok 35273
190: ok 35274
190: ok 35275
190: ok 35276
190: ok 35277
190: ok 35278
190: ok 35279
190: ok 35280
190: ok 35281
190: ok 35282
190: ok 35283
190: ok 35284
190: ok 35285
190: ok 35286
190: ok 35287
190: ok 35288
190: ok 35289
190: ok 35290
190: ok 35291
190: ok 35292
190: ok 35293
190: ok 35294
190: ok 35295
190: ok 35296
190: ok 35297
190: ok 35298
190: ok 35299
190: ok 35300
190: ok 35301
190: ok 35302
190: ok 35303
190: ok 35304
190: ok 35305
190: ok 35306
190: ok 35307
190: ok 35308
190: ok 35309
190: ok 35310
190: ok 35311
190: ok 35312
190: ok 35313
190: ok 35314
190: ok 35315
190: ok 35316
190: ok 35317
190: ok 35318
190: ok 35319
190: ok 35320
190: ok 35321
190: ok 35322
190: ok 35323
190: ok 35324
190: ok 35325
190: ok 35326
190: ok 35327
190: ok 35328
190: ok 35329
190: ok 35330
190: ok 35331
190: ok 35332
190: ok 35333
190: ok 35334
190: ok 35335
190: ok 35336
190: ok 35337
190: ok 35338
190: ok 35339
190: ok 35340
190: ok 35341
190: ok 35342
190: ok 35343
190: ok 35344
190: ok 35345
190: ok 35346
190: ok 35347
190: ok 35348
190: ok 35349
190: ok 35350
190: ok 35351
190: ok 35352
190: ok 35353
190: ok 35354
190: ok 35355
190: ok 35356
190: ok 35357
190: ok 35358
190: ok 35359
190: ok 35360
190: ok 35361
190: ok 35362
190: ok 35363
190: ok 35364
190: ok 35365
190: ok 35366
190: ok 35367
190: ok 35368
190: ok 35369
190: ok 35370
190: ok 35371
190: ok 35372
190: ok 35373
190: ok 35374
190: ok 35375
190: ok 35376
190: ok 35377
190: ok 35378
190: ok 35379
190: ok 35380
190: ok 35381
190: ok 35382
190: ok 35383
190: ok 35384
190: ok 35385
190: ok 35386
190: ok 35387
190: ok 35388
190: ok 35389
190: ok 35390
190: ok 35391
190: ok 35392
190: ok 35393
190: ok 35394
190: ok 35395
190: ok 35396
190: ok 35397
190: ok 35398
190: ok 35399
190: ok 35400
190: ok 35401
190: ok 35402
190: ok 35403
190: ok 35404
190: ok 35405
190: ok 35406
190: ok 35407
190: ok 35408
190: ok 35409
190: ok 35410
190: ok 35411
190: ok 35412
190: ok 35413
190: ok 35414
190: ok 35415
190: ok 35416
190: ok 35417
190: ok 35418
190: ok 35419
190: ok 35420
190: ok 35421
190: ok 35422
190: ok 35423
190: ok 35424
190: ok 35425
190: ok 35426
190: ok 35427
190: ok 35428
190: ok 35429
190: ok 35430
190: ok 35431
190: ok 35432
190: ok 35433
190: ok 35434
190: ok 35435
190: ok 35436
190: ok 35437
190: ok 35438
190: ok 35439
190: ok 35440
190: ok 35441
190: ok 35442
190: ok 35443
190: ok 35444
190: ok 35445
190: ok 35446
190: ok 35447
190: ok 35448
190: ok 35449
190: ok 35450
190: ok 35451
190: ok 35452
190: ok 35453
190: ok 35454
190: ok 35455
190: ok 35456
190: ok 35457
190: ok 35458
190: ok 35459
190: ok 35460
190: ok 35461
190: ok 35462
190: ok 35463
190: ok 35464
190: ok 35465
190: ok 35466
190: ok 35467
190: ok 35468
190: ok 35469
190: ok 35470
190: ok 35471
190: ok 35472
190: ok 35473
190: ok 35474
190: ok 35475
190: ok 35476
190: ok 35477
190: ok 35478
190: ok 35479
190: ok 35480
190: ok 35481
190: ok 35482
190: ok 35483
190: ok 35484
190: ok 35485
190: ok 35486
190: ok 35487
190: ok 35488
190: ok 35489
190: ok 35490
190: ok 35491
190: ok 35492
190: ok 35493
190: ok 35494
190: ok 35495
190: ok 35496
190: ok 35497
190: ok 35498
190: ok 35499
190: ok 35500
190: ok 35501
190: ok 35502
190: ok 35503
190: ok 35504
190: ok 35505
190: ok 35506
190: ok 35507
190: ok 35508
190: ok 35509
190: ok 35510
190: ok 35511
190: ok 35512
190: ok 35513
190: ok 35514
190: ok 35515
190: ok 35516
190: ok 35517
190: ok 35518
190: ok 35519
190: ok 35520
190: ok 35521
190: ok 35522
190: ok 35523
190: ok 35524
190: ok 35525
190: ok 35526
190: ok 35527
190: ok 35528
190: ok 35529
190: ok 35530
190: ok 35531
190: ok 35532
190: ok 35533
190: ok 35534
190: ok 35535
190: ok 35536
190: ok 35537
190: ok 35538
190: ok 35539
190: ok 35540
190: ok 35541
190: ok 35542
190: ok 35543
190: ok 35544
190: ok 35545
190: ok 35546
190: ok 35547
190: ok 35548
190: ok 35549
190: ok 35550
190: ok 35551
190: ok 35552
190: ok 35553
190: ok 35554
190: ok 35555
190: ok 35556
190: ok 35557
190: ok 35558
190: ok 35559
190: ok 35560
190: ok 35561
190: ok 35562
190: ok 35563
190: ok 35564
190: ok 35565
190: ok 35566
190: ok 35567
190: ok 35568
190: ok 35569
190: ok 35570
190: ok 35571
190: ok 35572
190: ok 35573
190: ok 35574
190: ok 35575
190: ok 35576
190: ok 35577
190: ok 35578
190: ok 35579
190: ok 35580
190: ok 35581
190: ok 35582
190: ok 35583
190: ok 35584
190: ok 35585
190: ok 35586
190: ok 35587
190: ok 35588
190: ok 35589
190: ok 35590
190: ok 35591
190: ok 35592
190: ok 35593
190: ok 35594
190: ok 35595
190: ok 35596
190: ok 35597
190: ok 35598
190: ok 35599
190: ok 35600
190: ok 35601
190: ok 35602
190: ok 35603
190: ok 35604
190: ok 35605
190: ok 35606
190: ok 35607
190: ok 35608
190: ok 35609
190: ok 35610
190: ok 35611
190: ok 35612
190: ok 35613
190: ok 35614
190: ok 35615
190: ok 35616
190: ok 35617
190: ok 35618
190: ok 35619
190: ok 35620
190: ok 35621
190: ok 35622
190: ok 35623
190: ok 35624
190: ok 35625
190: ok 35626
190: ok 35627
190: ok 35628
190: ok 35629
190: ok 35630
190: ok 35631
190: ok 35632
190: ok 35633
190: ok 35634
190: ok 35635
190: ok 35636
190: ok 35637
190: ok 35638
190: ok 35639
190: ok 35640
190: ok 35641
190: ok 35642
190: ok 35643
190: ok 35644
190: ok 35645
190: ok 35646
190: ok 35647
190: ok 35648
190: ok 35649
190: ok 35650
190: ok 35651
190: ok 35652
190: ok 35653
190: ok 35654
190: ok 35655
190: ok 35656
190: ok 35657
190: ok 35658
190: ok 35659
190: ok 35660
190: ok 35661
190: ok 35662
190: ok 35663
190: ok 35664
190: ok 35665
190: ok 35666
190: ok 35667
190: ok 35668
190: ok 35669
190: ok 35670
190: ok 35671
190: ok 35672
190: ok 35673
190: ok 35674
190: ok 35675
190: ok 35676
190: ok 35677
190: ok 35678
190: ok 35679
190: ok 35680
190: ok 35681
190: ok 35682
190: ok 35683
190: ok 35684
190: ok 35685
190: ok 35686
190: ok 35687
190: ok 35688
190: ok 35689
190: ok 35690
190: ok 35691
190: ok 35692
190: ok 35693
190: ok 35694
190: ok 35695
190: ok 35696
190: ok 35697
190: ok 35698
190: ok 35699
190: ok 35700
190: ok 35701
190: ok 35702
190: ok 35703
190: ok 35704
190: ok 35705
190: ok 35706
190: ok 35707
190: ok 35708
190: ok 35709
190: ok 35710
190: ok 35711
190: ok 35712
190: ok 35713
190: ok 35714
190: ok 35715
190: ok 35716
190: ok 35717
190: ok 35718
190: ok 35719
190: ok 35720
190: ok 35721
190: ok 35722
190: ok 35723
190: ok 35724
190: ok 35725
190: ok 35726
190: ok 35727
190: ok 35728
190: ok 35729
190: ok 35730
190: ok 35731
190: ok 35732
190: ok 35733
190: ok 35734
190: ok 35735
190: ok 35736
190: ok 35737
190: ok 35738
190: ok 35739
190: ok 35740
190: ok 35741
190: ok 35742
190: ok 35743
190: ok 35744
190: ok 35745
190: ok 35746
190: ok 35747
190: ok 35748
190: ok 35749
190: ok 35750
190: ok 35751
190: ok 35752
190: ok 35753
190: ok 35754
190: ok 35755
190: ok 35756
190: ok 35757
190: ok 35758
190: ok 35759
190: ok 35760
190: ok 35761
190: ok 35762
190: ok 35763
190: ok 35764
190: ok 35765
190: ok 35766
190: ok 35767
190: ok 35768
190: ok 35769
190: ok 35770
190: ok 35771
190: ok 35772
190: ok 35773
190: ok 35774
190: ok 35775
190: ok 35776
190: ok 35777
190: ok 35778
190: ok 35779
190: ok 35780
190: ok 35781
190: ok 35782
190: ok 35783
190: ok 35784
190: ok 35785
190: ok 35786
190: ok 35787
190: ok 35788
190: ok 35789
190: ok 35790
190: ok 35791
190: ok 35792
190: ok 35793
190: ok 35794
190: ok 35795
190: ok 35796
190: ok 35797
190: ok 35798
190: ok 35799
190: ok 35800
190: ok 35801
190: ok 35802
190: ok 35803
190: ok 35804
190: ok 35805
190: ok 35806
190: ok 35807
190: ok 35808
190: ok 35809
190: ok 35810
190: ok 35811
190: ok 35812
190: ok 35813
190: ok 35814
190: ok 35815
190: ok 35816
190: ok 35817
190: ok 35818
190: ok 35819
190: ok 35820
190: ok 35821
190: ok 35822
190: ok 35823
190: ok 35824
190: ok 35825
190: ok 35826
190: ok 35827
190: ok 35828
190: ok 35829
190: ok 35830
190: ok 35831
190: ok 35832
190: ok 35833
190: ok 35834
190: ok 35835
190: ok 35836
190: ok 35837
190: ok 35838
190: ok 35839
190: ok 35840
190: ok 35841
190: ok 35842
190: ok 35843
190: ok 35844
190: ok 35845
190: ok 35846
190: ok 35847
190: ok 35848
190: ok 35849
190: ok 35850
190: ok 35851
190: ok 35852
190: ok 35853
190: ok 35854
190: ok 35855
190: ok 35856
190: ok 35857
190: ok 35858
190: ok 35859
190: ok 35860
190: ok 35861
190: ok 35862
190: ok 35863
190: ok 35864
190: ok 35865
190: ok 35866
190: ok 35867
190: ok 35868
190: ok 35869
190: ok 35870
190: ok 35871
190: ok 35872
190: ok 35873
190: ok 35874
190: ok 35875
190: ok 35876
190: ok 35877
190: ok 35878
190: ok 35879
190: ok 35880
190: ok 35881
190: ok 35882
190: ok 35883
190: ok 35884
190: ok 35885
190: ok 35886
190: ok 35887
190: ok 35888
190: ok 35889
190: ok 35890
190: ok 35891
190: ok 35892
190: ok 35893
190: ok 35894
190: ok 35895
190: ok 35896
190: ok 35897
190: ok 35898
190: ok 35899
190: ok 35900
190: ok 35901
190: ok 35902
190: ok 35903
190: ok 35904
190: ok 35905
190: ok 35906
190: ok 35907
190: ok 35908
190: ok 35909
190: ok 35910
190: ok 35911
190: ok 35912
190: ok 35913
190: ok 35914
190: ok 35915
190: ok 35916
190: ok 35917
190: ok 35918
190: ok 35919
190: ok 35920
190: ok 35921
190: ok 35922
190: ok 35923
190: ok 35924
190: ok 35925
190: ok 35926
190: ok 35927
190: ok 35928
190: ok 35929
190: ok 35930
190: ok 35931
190: ok 35932
190: ok 35933
190: ok 35934
190: ok 35935
190: ok 35936
190: ok 35937
190: ok 35938
190: ok 35939
190: ok 35940
190: ok 35941
190: ok 35942
190: ok 35943
190: ok 35944
190: ok 35945
190: ok 35946
190: ok 35947
190: ok 35948
190: ok 35949
190: ok 35950
190: ok 35951
190: ok 35952
190: ok 35953
190: ok 35954
190: ok 35955
190: ok 35956
190: ok 35957
190: ok 35958
190: ok 35959
190: ok 35960
190: ok 35961
190: ok 35962
190: ok 35963
190: ok 35964
190: ok 35965
190: ok 35966
190: ok 35967
190: ok 35968
190: ok 35969
190: ok 35970
190: ok 35971
190: ok 35972
190: ok 35973
190: ok 35974
190: ok 35975
190: ok 35976
190: ok 35977
190: ok 35978
190: ok 35979
190: ok 35980
190: ok 35981
190: ok 35982
190: ok 35983
190: ok 35984
190: ok 35985
190: ok 35986
190: ok 35987
190: ok 35988
190: ok 35989
190: ok 35990
190: ok 35991
190: ok 35992
190: ok 35993
190: ok 35994
190: ok 35995
190: ok 35996
190: ok 35997
190: ok 35998
190: ok 35999
190: ok 36000
190: ok 36001
190: ok 36002
190: ok 36003
190: ok 36004
190: ok 36005
190: ok 36006
190: ok 36007
190: ok 36008
190: ok 36009
190: ok 36010
190: ok 36011
190: ok 36012
190: ok 36013
190: ok 36014
190: ok 36015
190: ok 36016
190: ok 36017
190: ok 36018
190: ok 36019
190: ok 36020
190: ok 36021
190: ok 36022
190: ok 36023
190: ok 36024
190: ok 36025
190: ok 36026
190: ok 36027
190: ok 36028
190: ok 36029
190: ok 36030
190: ok 36031
190: ok 36032
190: ok 36033
190: ok 36034
190: ok 36035
190: ok 36036
190: ok 36037
190: ok 36038
190: ok 36039
190: ok 36040
190: ok 36041
190: ok 36042
190: ok 36043
190: ok 36044
190: ok 36045
190: ok 36046
190: ok 36047
190: ok 36048
190: ok 36049
190: ok 36050
190: ok 36051
190: ok 36052
190: ok 36053
190: ok 36054
190: ok 36055
190: ok 36056
190: ok 36057
190: ok 36058
190: ok 36059
190: ok 36060
190: ok 36061
190: ok 36062
190: ok 36063
190: ok 36064
190: ok 36065
190: ok 36066
190: ok 36067
190: ok 36068
190: ok 36069
190: ok 36070
190: ok 36071
190: ok 36072
190: ok 36073
190: ok 36074
190: ok 36075
190: ok 36076
190: ok 36077
190: ok 36078
190: ok 36079
190: ok 36080
190: ok 36081
190: ok 36082
190: ok 36083
190: ok 36084
190: ok 36085
190: ok 36086
190: ok 36087
190: ok 36088
190: ok 36089
190: ok 36090
190: ok 36091
190: ok 36092
190: ok 36093
190: ok 36094
190: ok 36095
190: ok 36096
190: ok 36097
190: ok 36098
190: ok 36099
190: ok 36100
190: ok 36101
190: ok 36102
190: ok 36103
190: ok 36104
190: ok 36105
190: ok 36106
190: ok 36107
190: ok 36108
190: ok 36109
190: ok 36110
190: ok 36111
190: ok 36112
190: ok 36113
190: ok 36114
190: ok 36115
190: ok 36116
190: ok 36117
190: ok 36118
190: ok 36119
190: ok 36120
190: ok 36121
190: ok 36122
190: ok 36123
190: ok 36124
190: ok 36125
190: ok 36126
190: ok 36127
190: ok 36128
190: ok 36129
190: ok 36130
190: ok 36131
190: ok 36132
190: ok 36133
190: ok 36134
190: ok 36135
190: ok 36136
190: ok 36137
190: ok 36138
190: ok 36139
190: ok 36140
190: ok 36141
190: ok 36142
190: ok 36143
190: ok 36144
190: ok 36145
190: ok 36146
190: ok 36147
190: ok 36148
190: ok 36149
190: ok 36150
190: ok 36151
190: ok 36152
190: ok 36153
190: ok 36154
190: ok 36155
190: ok 36156
190: ok 36157
190: ok 36158
190: ok 36159
190: ok 36160
190: ok 36161
190: ok 36162
190: ok 36163
190: ok 36164
190: ok 36165
190: ok 36166
190: ok 36167
190: ok 36168
190: ok 36169
190: ok 36170
190: ok 36171
190: ok 36172
190: ok 36173
190: ok 36174
190: ok 36175
190: ok 36176
190: ok 36177
190: ok 36178
190: ok 36179
190: ok 36180
190: ok 36181
190: ok 36182
190: ok 36183
190: ok 36184
190: ok 36185
190: ok 36186
190: ok 36187
190: ok 36188
190: ok 36189
190: ok 36190
190: ok 36191
190: ok 36192
190: ok 36193
190: ok 36194
190: ok 36195
190: ok 36196
190: ok 36197
190: ok 36198
190: ok 36199
190: ok 36200
190: ok 36201
190: ok 36202
190: ok 36203
190: ok 36204
190: ok 36205
190: ok 36206
190: ok 36207
190: ok 36208
190: ok 36209
190: ok 36210
190: ok 36211
190: ok 36212
190: ok 36213
190: ok 36214
190: ok 36215
190: ok 36216
190: ok 36217
190: ok 36218
190: ok 36219
190: ok 36220
190: ok 36221
190: ok 36222
190: ok 36223
190: ok 36224
190: ok 36225
190: ok 36226
190: ok 36227
190: ok 36228
190: ok 36229
190: ok 36230
190: ok 36231
190: ok 36232
190: ok 36233
190: ok 36234
190: ok 36235
190: ok 36236
190: ok 36237
190: ok 36238
190: ok 36239
190: ok 36240
190: ok 36241
190: ok 36242
190: ok 36243
190: ok 36244
190: ok 36245
190: ok 36246
190: ok 36247
190: ok 36248
190: ok 36249
190: ok 36250
190: ok 36251
190: ok 36252
190: ok 36253
190: ok 36254
190: ok 36255
190: ok 36256
190: ok 36257
190: ok 36258
190: ok 36259
190: ok 36260
190: ok 36261
190: ok 36262
190: ok 36263
190: ok 36264
190: ok 36265
190: ok 36266
190: ok 36267
190: ok 36268
190: ok 36269
190: ok 36270
190: ok 36271
190: ok 36272
190: ok 36273
190: ok 36274
190: ok 36275
190: ok 36276
190: ok 36277
190: ok 36278
190: ok 36279
190: ok 36280
190: ok 36281
190: ok 36282
190: ok 36283
190: ok 36284
190: ok 36285
190: ok 36286
190: ok 36287
190: ok 36288
190: ok 36289
190: ok 36290
190: ok 36291
190: ok 36292
190: ok 36293
190: ok 36294
190: ok 36295
190: ok 36296
190: ok 36297
190: ok 36298
190: ok 36299
190: ok 36300
190: ok 36301
190: ok 36302
190: ok 36303
190: ok 36304
190: ok 36305
190: ok 36306
190: ok 36307
190: ok 36308
190: ok 36309
190: ok 36310
190: ok 36311
190: ok 36312
190: ok 36313
190: ok 36314
190: ok 36315
190: ok 36316
190: ok 36317
190: ok 36318
190: ok 36319
190: ok 36320
190: ok 36321
190: ok 36322
190: ok 36323
190: ok 36324
190: ok 36325
190: ok 36326
190: ok 36327
190: ok 36328
190: ok 36329
190: ok 36330
190: ok 36331
190: ok 36332
190: ok 36333
190: ok 36334
190: ok 36335
190: ok 36336
190: ok 36337
190: ok 36338
190: ok 36339
190: ok 36340
190: ok 36341
190: ok 36342
190: ok 36343
190: ok 36344
190: ok 36345
190: ok 36346
190: ok 36347
190: ok 36348
190: ok 36349
190: ok 36350
190: ok 36351
190: ok 36352
190: ok 36353
190: ok 36354
190: ok 36355
190: ok 36356
190: ok 36357
190: ok 36358
190: ok 36359
190: ok 36360
190: ok 36361
190: ok 36362
190: ok 36363
190: ok 36364
190: ok 36365
190: ok 36366
190: ok 36367
190: ok 36368
190: ok 36369
190: ok 36370
190: ok 36371
190: ok 36372
190: ok 36373
190: ok 36374
190: ok 36375
190: ok 36376
190: ok 36377
190: ok 36378
190: ok 36379
190: ok 36380
190: ok 36381
190: ok 36382
190: ok 36383
190: ok 36384
190: ok 36385
190: ok 36386
190: ok 36387
190: ok 36388
190: ok 36389
190: ok 36390
190: ok 36391
190: ok 36392
190: ok 36393
190: ok 36394
190: ok 36395
190: ok 36396
190: ok 36397
190: ok 36398
190: ok 36399
190: ok 36400
190: ok 36401
190: ok 36402
190: ok 36403
190: ok 36404
190: ok 36405
190: ok 36406
190: ok 36407
190: ok 36408
190: ok 36409
190: ok 36410
190: ok 36411
190: ok 36412
190: ok 36413
190: ok 36414
190: ok 36415
190: ok 36416
190: ok 36417
190: ok 36418
190: ok 36419
190: ok 36420
190: ok 36421
190: ok 36422
190: ok 36423
190: ok 36424
190: ok 36425
190: ok 36426
190: ok 36427
190: ok 36428
190: ok 36429
190: ok 36430
190: ok 36431
190: ok 36432
190: ok 36433
190: ok 36434
190: ok 36435
190: ok 36436
190: ok 36437
190: ok 36438
190: ok 36439
190: ok 36440
190: ok 36441
190: ok 36442
190: ok 36443
190: ok 36444
190: ok 36445
190: ok 36446
190: ok 36447
190: ok 36448
190: ok 36449
190: ok 36450
190: ok 36451
190: ok 36452
190: ok 36453
190: ok 36454
190: ok 36455
190: ok 36456
190: ok 36457
190: ok 36458
190: ok 36459
190: ok 36460
190: ok 36461
190: ok 36462
190: ok 36463
190: ok 36464
190: ok 36465
190: ok 36466
190: ok 36467
190: ok 36468
190: ok 36469
190: ok 36470
190: ok 36471
190: ok 36472
190: ok 36473
190: ok 36474
190: ok 36475
190: ok 36476
190: ok 36477
190: ok 36478
190: ok 36479
190: ok 36480
190: ok 36481
190: ok 36482
190: ok 36483
190: ok 36484
190: ok 36485
190: ok 36486
190: ok 36487
190: ok 36488
190: ok 36489
190: ok 36490
190: ok 36491
190: ok 36492
190: ok 36493
190: ok 36494
190: ok 36495
190: ok 36496
190: ok 36497
190: ok 36498
190: ok 36499
190: ok 36500
190: ok 36501
190: ok 36502
190: ok 36503
190: ok 36504
190: ok 36505
190: ok 36506
190: ok 36507
190: ok 36508
190: ok 36509
190: ok 36510
190: ok 36511
190: ok 36512
190: ok 36513
190: ok 36514
190: ok 36515
190: ok 36516
190: ok 36517
190: ok 36518
190: ok 36519
190: ok 36520
190: ok 36521
190: ok 36522
190: ok 36523
190: ok 36524
190: ok 36525
190: ok 36526
190: ok 36527
190: ok 36528
190: ok 36529
190: ok 36530
190: ok 36531
190: ok 36532
190: ok 36533
190: ok 36534
190: ok 36535
190: ok 36536
190: ok 36537
190: ok 36538
190: ok 36539
190: ok 36540
190: ok 36541
190: ok 36542
190: ok 36543
190: ok 36544
190: ok 36545
190: ok 36546
190: ok 36547
190: ok 36548
190: ok 36549
190: ok 36550
190: ok 36551
190: ok 36552
190: ok 36553
190: ok 36554
190: ok 36555
190: ok 36556
190: ok 36557
190: ok 36558
190: ok 36559
190: ok 36560
190: ok 36561
190: ok 36562
190: ok 36563
190: ok 36564
190: ok 36565
190: ok 36566
190: ok 36567
190: ok 36568
190: ok 36569
190: ok 36570
190: ok 36571
190: ok 36572
190: ok 36573
190: ok 36574
190: ok 36575
190: ok 36576
190: ok 36577
190: ok 36578
190: ok 36579
190: ok 36580
190: ok 36581
190: ok 36582
190: ok 36583
190: ok 36584
190: ok 36585
190: ok 36586
190: ok 36587
190: ok 36588
190: ok 36589
190: ok 36590
190: ok 36591
190: ok 36592
190: ok 36593
190: ok 36594
190: ok 36595
190: ok 36596
190: ok 36597
190: ok 36598
190: ok 36599
190: ok 36600
190: ok 36601
190: ok 36602
190: ok 36603
190: ok 36604
190: ok 36605
190: ok 36606
190: ok 36607
190: ok 36608
190: ok 36609
190: ok 36610
190: ok 36611
190: ok 36612
190: ok 36613
190: ok 36614
190: ok 36615
190: ok 36616
190: ok 36617
190: ok 36618
190: ok 36619
190: ok 36620
190: ok 36621
190: ok 36622
190: ok 36623
190: ok 36624
190: ok 36625
190: ok 36626
190: ok 36627
190: ok 36628
190: ok 36629
190: ok 36630
190: ok 36631
190: ok 36632
190: ok 36633
190: ok 36634
190: ok 36635
190: ok 36636
190: ok 36637
190: ok 36638
190: ok 36639
190: ok 36640
190: ok 36641
190: ok 36642
190: ok 36643
190: ok 36644
190: ok 36645
190: ok 36646
190: ok 36647
190: ok 36648
190: ok 36649
190: ok 36650
190: ok 36651
190: ok 36652
190: ok 36653
190: ok 36654
190: ok 36655
190: ok 36656
190: ok 36657
190: ok 36658
190: ok 36659
190: ok 36660
190: ok 36661
190: ok 36662
190: ok 36663
190: ok 36664
190: ok 36665
190: ok 36666
190: ok 36667
190: ok 36668
190: ok 36669
190: ok 36670
190: ok 36671
190: ok 36672
190: ok 36673
190: ok 36674
190: ok 36675
190: ok 36676
190: ok 36677
190: ok 36678
190: ok 36679
190: ok 36680
190: ok 36681
190: ok 36682
190: ok 36683
190: ok 36684
190: ok 36685
190: ok 36686
190: ok 36687
190: ok 36688
190: ok 36689
190: ok 36690
190: ok 36691
190: ok 36692
190: ok 36693
190: ok 36694
190: ok 36695
190: ok 36696
190: ok 36697
190: ok 36698
190: ok 36699
190: ok 36700
190: ok 36701
190: ok 36702
190: ok 36703
190: ok 36704
190: ok 36705
190: ok 36706
190: ok 36707
190: ok 36708
190: ok 36709
190: ok 36710
190: ok 36711
190: ok 36712
190: ok 36713
190: ok 36714
190: ok 36715
190: ok 36716
190: ok 36717
190: ok 36718
190: ok 36719
190: ok 36720
190: ok 36721
190: ok 36722
190: ok 36723
190: ok 36724
190: ok 36725
190: ok 36726
190: ok 36727
190: ok 36728
190: ok 36729
190: ok 36730
190: ok 36731
190: ok 36732
190: ok 36733
190: ok 36734
190: ok 36735
190: ok 36736
190: ok 36737
190: ok 36738
190: ok 36739
190: ok 36740
190: ok 36741
190: ok 36742
190: ok 36743
190: ok 36744
190: ok 36745
190: ok 36746
190: ok 36747
190: ok 36748
190: ok 36749
190: ok 36750
190: ok 36751
190: ok 36752
190: ok 36753
190: ok 36754
190: ok 36755
190: ok 36756
190: ok 36757
190: ok 36758
190: ok 36759
190: ok 36760
190: ok 36761
190: ok 36762
190: ok 36763
190: ok 36764
190: ok 36765
190: ok 36766
190: ok 36767
190: ok 36768
190: ok 36769
190: ok 36770
190: ok 36771
190: ok 36772
190: ok 36773
190: ok 36774
190: ok 36775
190: ok 36776
190: ok 36777
190: ok 36778
190: ok 36779
190: ok 36780
190: ok 36781
190: ok 36782
190: ok 36783
190: ok 36784
190: ok 36785
190: ok 36786
190: ok 36787
190: ok 36788
190: ok 36789
190: ok 36790
190: ok 36791
190: ok 36792
190: ok 36793
190: ok 36794
190: ok 36795
190: ok 36796
190: ok 36797
190: ok 36798
190: ok 36799
190: ok 36800
190: ok 36801
190: ok 36802
190: ok 36803
190: ok 36804
190: ok 36805
190: ok 36806
190: ok 36807
190: ok 36808
190: ok 36809
190: ok 36810
190: ok 36811
190: ok 36812
190: ok 36813
190: ok 36814
190: ok 36815
190: ok 36816
190: ok 36817
190: ok 36818
190: ok 36819
190: ok 36820
190: ok 36821
190: ok 36822
190: ok 36823
190: ok 36824
190: ok 36825
190: ok 36826
190: ok 36827
190: ok 36828
190: ok 36829
190: ok 36830
190: ok 36831
190: ok 36832
190: ok 36833
190: ok 36834
190: ok 36835
190: ok 36836
190: ok 36837
190: ok 36838
190: ok 36839
190: ok 36840
190: ok 36841
190: ok 36842
190: ok 36843
190: ok 36844
190: ok 36845
190: ok 36846
190: ok 36847
190: ok 36848
190: ok 36849
190: ok 36850
190: ok 36851
190: ok 36852
190: ok 36853
190: ok 36854
190: ok 36855
190: ok 36856
190: ok 36857
190: ok 36858
190: ok 36859
190: ok 36860
190: ok 36861
190: ok 36862
190: ok 36863
190: ok 36864
190: ok 36865
190: ok 36866
190: ok 36867
190: ok 36868
190: ok 36869
190: ok 36870
190: ok 36871
190: ok 36872
190: ok 36873
190: ok 36874
190: ok 36875
190: ok 36876
190: ok 36877
190: ok 36878
190: ok 36879
190: ok 36880
190: ok 36881
190: ok 36882
190: ok 36883
190: ok 36884
190: ok 36885
190: ok 36886
190: ok 36887
190: ok 36888
190: ok 36889
190: ok 36890
190: ok 36891
190: ok 36892
190: ok 36893
190: ok 36894
190: ok 36895
190: ok 36896
190: ok 36897
190: ok 36898
190: ok 36899
190: ok 36900
190: ok 36901
190: ok 36902
190: ok 36903
190: ok 36904
190: ok 36905
190: ok 36906
190: ok 36907
190: ok 36908
190: ok 36909
190: ok 36910
190: ok 36911
190: ok 36912
190: ok 36913
190: ok 36914
190: ok 36915
190: ok 36916
190: ok 36917
190: ok 36918
190: ok 36919
190: ok 36920
190: ok 36921
190: ok 36922
190: ok 36923
190: ok 36924
190: ok 36925
190: ok 36926
190: ok 36927
190: ok 36928
190: ok 36929
190: ok 36930
190: ok 36931
190: ok 36932
190: ok 36933
190: ok 36934
190: ok 36935
190: ok 36936
190: ok 36937
190: ok 36938
190: ok 36939
190: ok 36940
190: ok 36941
190: ok 36942
190: ok 36943
190: ok 36944
190: ok 36945
190: ok 36946
190: ok 36947
190: ok 36948
190: ok 36949
190: ok 36950
190: ok 36951
190: ok 36952
190: ok 36953
190: ok 36954
190: ok 36955
190: ok 36956
190: ok 36957
190: ok 36958
190: ok 36959
190: ok 36960
190: ok 36961
190: ok 36962
190: ok 36963
190: ok 36964
190: ok 36965
190: ok 36966
190: ok 36967
190: ok 36968
190: ok 36969
190: ok 36970
190: ok 36971
190: ok 36972
190: ok 36973
190: ok 36974
190: ok 36975
190: ok 36976
190: ok 36977
190: ok 36978
190: ok 36979
190: ok 36980
190: ok 36981
190: ok 36982
190: ok 36983
190: ok 36984
190: ok 36985
190: ok 36986
190: ok 36987
190: ok 36988
190: ok 36989
190: ok 36990
190: ok 36991
190: ok 36992
190: ok 36993
190: ok 36994
190: ok 36995
190: ok 36996
190: ok 36997
190: ok 36998
190: ok 36999
190: ok 37000
190: ok 37001
190: ok 37002
190: ok 37003
190: ok 37004
190: ok 37005
190: ok 37006
190: ok 37007
190: ok 37008
190: ok 37009
190: ok 37010
190: ok 37011
190: ok 37012
190: ok 37013
190: ok 37014
190: ok 37015
190: ok 37016
190: ok 37017
190: ok 37018
190: ok 37019
190: ok 37020
190: ok 37021
190: ok 37022
190: ok 37023
190: ok 37024
190: ok 37025
190: ok 37026
190: ok 37027
190: ok 37028
190: ok 37029
190: ok 37030
190: ok 37031
190: ok 37032
190: ok 37033
190: ok 37034
190: ok 37035
190: ok 37036
190: ok 37037
190: ok 37038
190: ok 37039
190: ok 37040
190: ok 37041
190: ok 37042
190: ok 37043
190: ok 37044
190: ok 37045
190: ok 37046
190: ok 37047
190: ok 37048
190: ok 37049
190: ok 37050
190: ok 37051
190: ok 37052
190: ok 37053
190: ok 37054
190: ok 37055
190: ok 37056
190: ok 37057
190: ok 37058
190: ok 37059
190: ok 37060
190: ok 37061
190: ok 37062
190: ok 37063
190: ok 37064
190: ok 37065
190: ok 37066
190: ok 37067
190: ok 37068
190: ok 37069
190: ok 37070
190: ok 37071
190: ok 37072
190: ok 37073
190: ok 37074
190: ok 37075
190: ok 37076
190: ok 37077
190: ok 37078
190: ok 37079
190: ok 37080
190: ok 37081
190: ok 37082
190: ok 37083
190: ok 37084
190: ok 37085
190: ok 37086
190: ok 37087
190: ok 37088
190: ok 37089
190: ok 37090
190: ok 37091
190: ok 37092
190: ok 37093
190: ok 37094
190: ok 37095
190: ok 37096
190: ok 37097
190: ok 37098
190: ok 37099
190: ok 37100
190: ok 37101
190: ok 37102
190: ok 37103
190: ok 37104
190: ok 37105
190: ok 37106
190: ok 37107
190: ok 37108
190: ok 37109
190: ok 37110
190: ok 37111
190: ok 37112
190: ok 37113
190: ok 37114
190: ok 37115
190: ok 37116
190: ok 37117
190: ok 37118
190: ok 37119
190: ok 37120
190: ok 37121
190: ok 37122
190: ok 37123
190: ok 37124
190: ok 37125
190: ok 37126
190: ok 37127
190: ok 37128
190: ok 37129
190: ok 37130
190: ok 37131
190: ok 37132
190: ok 37133
190: ok 37134
190: ok 37135
190: ok 37136
190: ok 37137
190: ok 37138
190: ok 37139
190: ok 37140
190: ok 37141
190: ok 37142
190: ok 37143
190: ok 37144
190: ok 37145
190: ok 37146
190: ok 37147
190: ok 37148
190: ok 37149
190: ok 37150
190: ok 37151
190: ok 37152
190: ok 37153
190: ok 37154
190: ok 37155
190: ok 37156
190: ok 37157
190: ok 37158
190: ok 37159
190: ok 37160
190: ok 37161
190: ok 37162
190: ok 37163
190: ok 37164
190: ok 37165
190: ok 37166
190: ok 37167
190: ok 37168
190: ok 37169
190: ok 37170
190: ok 37171
190: ok 37172
190: ok 37173
190: ok 37174
190: ok 37175
190: ok 37176
190: ok 37177
190: ok 37178
190: ok 37179
190: ok 37180
190: ok 37181
190: ok 37182
190: ok 37183
190: ok 37184
190: ok 37185
190: ok 37186
190: ok 37187
190: ok 37188
190: ok 37189
190: ok 37190
190: ok 37191
190: ok 37192
190: ok 37193
190: ok 37194
190: ok 37195
190: ok 37196
190: ok 37197
190: ok 37198
190: ok 37199
190: ok 37200
190: ok 37201
190: ok 37202
190: ok 37203
190: ok 37204
190: ok 37205
190: ok 37206
190: ok 37207
190: ok 37208
190: ok 37209
190: ok 37210
190: ok 37211
190: ok 37212
190: ok 37213
190: ok 37214
190: ok 37215
190: ok 37216
190: ok 37217
190: ok 37218
190: ok 37219
190: ok 37220
190: ok 37221
190: ok 37222
190: ok 37223
190: ok 37224
190: ok 37225
190: ok 37226
190: ok 37227
190: ok 37228
190: ok 37229
190: ok 37230
190: ok 37231
190: ok 37232
190: ok 37233
190: ok 37234
190: ok 37235
190: ok 37236
190: ok 37237
190: ok 37238
190: ok 37239
190: ok 37240
190: ok 37241
190: ok 37242
190: ok 37243
190: ok 37244
190: ok 37245
190: ok 37246
190: ok 37247
190: ok 37248
190: ok 37249
190: ok 37250
190: ok 37251
190: ok 37252
190: ok 37253
190: ok 37254
190: ok 37255
190: ok 37256
190: ok 37257
190: ok 37258
190: ok 37259
190: ok 37260
190: ok 37261
190: ok 37262
190: ok 37263
190: ok 37264
190: ok 37265
190: ok 37266
190: ok 37267
190: ok 37268
190: ok 37269
190: ok 37270
190: ok 37271
190: ok 37272
190: ok 37273
190: ok 37274
190: ok 37275
190: ok 37276
190: ok 37277
190: ok 37278
190: ok 37279
190: ok 37280
190: ok 37281
190: ok 37282
190: ok 37283
190: ok 37284
190: ok 37285
190: ok 37286
190: ok 37287
190: ok 37288
190: ok 37289
190: ok 37290
190: ok 37291
190: ok 37292
190: ok 37293
190: ok 37294
190: ok 37295
190: ok 37296
190: ok 37297
190: ok 37298
190: ok 37299
190: ok 37300
190: ok 37301
190: ok 37302
190: ok 37303
190: ok 37304
190: ok 37305
190: ok 37306
190: ok 37307
190: ok 37308
190: ok 37309
190: ok 37310
190: ok 37311
190: ok 37312
190: ok 37313
190: ok 37314
190: ok 37315
190: ok 37316
190: ok 37317
190: ok 37318
190: ok 37319
190: ok 37320
190: ok 37321
190: ok 37322
190: ok 37323
190: ok 37324
190: ok 37325
190: ok 37326
190: ok 37327
190: ok 37328
190: ok 37329
190: ok 37330
190: ok 37331
190: ok 37332
190: ok 37333
190: ok 37334
190: ok 37335
190: ok 37336
190: ok 37337
190: ok 37338
190: ok 37339
190: ok 37340
190: ok 37341
190: ok 37342
190: ok 37343
190: ok 37344
190: ok 37345
190: ok 37346
190: ok 37347
190: ok 37348
190: ok 37349
190: ok 37350
190: ok 37351
190: ok 37352
190: ok 37353
190: ok 37354
190: ok 37355
190: ok 37356
190: ok 37357
190: ok 37358
190: ok 37359
190: ok 37360
190: ok 37361
190: ok 37362
190: ok 37363
190: ok 37364
190: ok 37365
190: ok 37366
190: ok 37367
190: ok 37368
190: ok 37369
190: ok 37370
190: ok 37371
190: ok 37372
190: ok 37373
190: ok 37374
190: ok 37375
190: ok 37376
190: ok 37377
190: ok 37378
190: ok 37379
190: ok 37380
190: ok 37381
190: ok 37382
190: ok 37383
190: ok 37384
190: ok 37385
190: ok 37386
190: ok 37387
190: ok 37388
190: ok 37389
190: ok 37390
190: ok 37391
190: ok 37392
190: ok 37393
190: ok 37394
190: ok 37395
190: ok 37396
190: ok 37397
190: ok 37398
190: ok 37399
190: ok 37400
190: ok 37401
190: ok 37402
190: ok 37403
190: ok 37404
190: ok 37405
190: ok 37406
190: ok 37407
190: ok 37408
190: ok 37409
190: ok 37410
190: ok 37411
190: ok 37412
190: ok 37413
190: ok 37414
190: ok 37415
190: ok 37416
190: ok 37417
190: ok 37418
190: ok 37419
190: ok 37420
190: ok 37421
190: ok 37422
190: ok 37423
190: ok 37424
190: ok 37425
190: ok 37426
190: ok 37427
190: ok 37428
190: ok 37429
190: ok 37430
190: ok 37431
190: ok 37432
190: ok 37433
190: ok 37434
190: ok 37435
190: ok 37436
190: ok 37437
190: ok 37438
190: ok 37439
190: ok 37440
190: ok 37441
190: ok 37442
190: ok 37443
190: ok 37444
190: ok 37445
190: ok 37446
190: ok 37447
190: ok 37448
190: ok 37449
190: ok 37450
190: ok 37451
190: ok 37452
190: ok 37453
190: ok 37454
190: ok 37455
190: ok 37456
190: ok 37457
190: ok 37458
190: ok 37459
190: ok 37460
190: ok 37461
190: ok 37462
190: ok 37463
190: ok 37464
190: ok 37465
190: ok 37466
190: ok 37467
190: ok 37468
190: ok 37469
190: ok 37470
190: ok 37471
190: ok 37472
190: ok 37473
190: ok 37474
190: ok 37475
190: ok 37476
190: ok 37477
190: ok 37478
190: ok 37479
190: ok 37480
190: ok 37481
190: ok 37482
190: ok 37483
190: ok 37484
190: ok 37485
190: ok 37486
190: ok 37487
190: ok 37488
190: ok 37489
190: ok 37490
190: ok 37491
190: ok 37492
190: ok 37493
190: ok 37494
190: ok 37495
190: ok 37496
190: ok 37497
190: ok 37498
190: ok 37499
190: ok 37500
190: ok 37501
190: ok 37502
190: ok 37503
190: ok 37504
190: ok 37505
190: ok 37506
190: ok 37507
190: ok 37508
190: ok 37509
190: ok 37510
190: ok 37511
190: ok 37512
190: ok 37513
190: ok 37514
190: ok 37515
190: ok 37516
190: ok 37517
190: ok 37518
190: ok 37519
190: ok 37520
190: ok 37521
190: ok 37522
190: ok 37523
190: ok 37524
190: ok 37525
190: ok 37526
190: ok 37527
190: ok 37528
190: ok 37529
190: ok 37530
190: ok 37531
190: ok 37532
190: ok 37533
190: ok 37534
190: ok 37535
190: ok 37536
190: ok 37537
190: ok 37538
190: ok 37539
190: ok 37540
190: ok 37541
190: ok 37542
190: ok 37543
190: ok 37544
190: ok 37545
190: ok 37546
190: ok 37547
190: ok 37548
190: ok 37549
190: ok 37550
190: ok 37551
190: ok 37552
190: ok 37553
190: ok 37554
190: ok 37555
190: ok 37556
190: ok 37557
190: ok 37558
190: ok 37559
190: ok 37560
190: ok 37561
190: ok 37562
190: ok 37563
190: ok 37564
190: ok 37565
190: ok 37566
190: ok 37567
190: ok 37568
190: ok 37569
190: ok 37570
190: ok 37571
190: ok 37572
190: ok 37573
190: ok 37574
190: ok 37575
190: ok 37576
190: ok 37577
190: ok 37578
190: ok 37579
190: ok 37580
190: ok 37581
190: ok 37582
190: ok 37583
190: ok 37584
190: ok 37585
190: ok 37586
190: ok 37587
190: ok 37588
190: ok 37589
190: ok 37590
190: ok 37591
190: ok 37592
190: ok 37593
190: ok 37594
190: ok 37595
190: ok 37596
190: ok 37597
190: ok 37598
190: ok 37599
190: ok 37600
190: ok 37601
190: ok 37602
190: ok 37603
190: ok 37604
190: ok 37605
190: ok 37606
190: ok 37607
190: ok 37608
190: ok 37609
190: ok 37610
190: ok 37611
190: ok 37612
190: ok 37613
190: ok 37614
190: ok 37615
190: ok 37616
190: ok 37617
190: ok 37618
190: ok 37619
190: ok 37620
190: ok 37621
190: ok 37622
190: ok 37623
190: ok 37624
190: ok 37625
190: ok 37626
190: ok 37627
190: ok 37628
190: ok 37629
190: ok 37630
190: ok 37631
190: ok 37632
190: ok 37633
190: ok 37634
190: ok 37635
190: ok 37636
190: ok 37637
190: ok 37638
190: ok 37639
190: ok 37640
190: ok 37641
190: ok 37642
190: ok 37643
190: ok 37644
190: ok 37645
190: ok 37646
190: ok 37647
190: ok 37648
190: ok 37649
190: ok 37650
190: ok 37651
190: ok 37652
190: ok 37653
190: ok 37654
190: ok 37655
190: ok 37656
190: ok 37657
190: ok 37658
190: ok 37659
190: ok 37660
190: ok 37661
190: ok 37662
190: ok 37663
190: ok 37664
190: ok 37665
190: ok 37666
190: ok 37667
190: ok 37668
190: ok 37669
190: ok 37670
190: ok 37671
190: ok 37672
190: ok 37673
190: ok 37674
190: ok 37675
190: ok 37676
190: ok 37677
190: ok 37678
190: ok 37679
190: ok 37680
190: ok 37681
190: ok 37682
190: ok 37683
190: ok 37684
190: ok 37685
190: ok 37686
190: ok 37687
190: ok 37688
190: ok 37689
190: ok 37690
190: ok 37691
190: ok 37692
190: ok 37693
190: ok 37694
190: ok 37695
190: ok 37696
190: ok 37697
190: ok 37698
190: ok 37699
190: ok 37700
190: ok 37701
190: ok 37702
190: ok 37703
190: ok 37704
190: ok 37705
190: ok 37706
190: ok 37707
190: ok 37708
190: ok 37709
190: ok 37710
190: ok 37711
190: ok 37712
190: ok 37713
190: ok 37714
190: ok 37715
190: ok 37716
190: ok 37717
190: ok 37718
190: ok 37719
190: ok 37720
190: ok 37721
190: ok 37722
190: ok 37723
190: ok 37724
190: ok 37725
190: ok 37726
190: ok 37727
190: ok 37728
190: ok 37729
190: ok 37730
190: ok 37731
190: ok 37732
190: ok 37733
190: ok 37734
190: ok 37735
190: ok 37736
190: ok 37737
190: ok 37738
190: ok 37739
190: ok 37740
190: ok 37741
190: ok 37742
190: ok 37743
190: ok 37744
190: ok 37745
190: ok 37746
190: ok 37747
190: ok 37748
190: ok 37749
190: ok 37750
190: ok 37751
190: ok 37752
190: ok 37753
190: ok 37754
190: ok 37755
190: ok 37756
190: ok 37757
190: ok 37758
190: ok 37759
190: ok 37760
190: ok 37761
190: ok 37762
190: ok 37763
190: ok 37764
190: ok 37765
190: ok 37766
190: ok 37767
190: ok 37768
190: ok 37769
190: ok 37770
190: ok 37771
190: ok 37772
190: ok 37773
190: ok 37774
190: ok 37775
190: ok 37776
190: ok 37777
190: ok 37778
190: ok 37779
190: ok 37780
190: ok 37781
190: ok 37782
190: ok 37783
190: ok 37784
190: ok 37785
190: ok 37786
190: ok 37787
190: ok 37788
190: ok 37789
190: ok 37790
190: ok 37791
190: ok 37792
190: ok 37793
190: ok 37794
190: ok 37795
190: ok 37796
190: ok 37797
190: ok 37798
190: ok 37799
190: ok 37800
190: ok 37801
190: ok 37802
190: ok 37803
190: ok 37804
190: ok 37805
190: ok 37806
190: ok 37807
190: ok 37808
190: ok 37809
190: ok 37810
190: ok 37811
190: ok 37812
190: ok 37813
190: ok 37814
190: ok 37815
190: ok 37816
190: ok 37817
190: ok 37818
190: ok 37819
190: ok 37820
190: ok 37821
190: ok 37822
190: ok 37823
190: ok 37824
190: ok 37825
190: ok 37826
190: ok 37827
190: ok 37828
190: ok 37829
190: ok 37830
190: ok 37831
190: ok 37832
190: ok 37833
190: ok 37834
190: ok 37835
190: ok 37836
190: ok 37837
190: ok 37838
190: ok 37839
190: ok 37840
190: ok 37841
190: ok 37842
190: ok 37843
190: ok 37844
190: ok 37845
190: ok 37846
190: ok 37847
190: ok 37848
190: ok 37849
190: ok 37850
190: ok 37851
190: ok 37852
190: ok 37853
190: ok 37854
190: ok 37855
190: ok 37856
190: ok 37857
190: ok 37858
190: ok 37859
190: ok 37860
190: ok 37861
190: ok 37862
190: ok 37863
190: ok 37864
190: ok 37865
190: ok 37866
190: ok 37867
190: ok 37868
190: ok 37869
190: ok 37870
190: ok 37871
190: ok 37872
190: ok 37873
190: ok 37874
190: ok 37875
190: ok 37876
190: ok 37877
190: ok 37878
190: ok 37879
190: ok 37880
190: ok 37881
190: ok 37882
190: ok 37883
190: ok 37884
190: ok 37885
190: ok 37886
190: ok 37887
190: ok 37888
190: ok 37889
190: ok 37890
190: ok 37891
190: ok 37892
190: ok 37893
190: ok 37894
190: ok 37895
190: ok 37896
190: ok 37897
190: ok 37898
190: ok 37899
190: ok 37900
190: ok 37901
190: ok 37902
190: ok 37903
190: ok 37904
190: ok 37905
190: ok 37906
190: ok 37907
190: ok 37908
190: ok 37909
190: ok 37910
190: ok 37911
190: ok 37912
190: ok 37913
190: ok 37914
190: ok 37915
190: ok 37916
190: ok 37917
190: ok 37918
190: ok 37919
190: ok 37920
190: ok 37921
190: ok 37922
190: ok 37923
190: ok 37924
190: ok 37925
190: ok 37926
190: ok 37927
190: ok 37928
190: ok 37929
190: ok 37930
190: ok 37931
190: ok 37932
190: ok 37933
190: ok 37934
190: ok 37935
190: ok 37936
190: ok 37937
190: ok 37938
190: ok 37939
190: ok 37940
190: ok 37941
190: ok 37942
190: ok 37943
190: ok 37944
190: ok 37945
190: ok 37946
190: ok 37947
190: ok 37948
190: ok 37949
190: ok 37950
190: ok 37951
190: ok 37952
190: ok 37953
190: ok 37954
190: ok 37955
190: ok 37956
190: ok 37957
190: ok 37958
190: ok 37959
190: ok 37960
190: ok 37961
190: ok 37962
190: ok 37963
190: ok 37964
190: ok 37965
190: ok 37966
190: ok 37967
190: ok 37968
190: ok 37969
190: ok 37970
190: ok 37971
190: ok 37972
190: ok 37973
190: ok 37974
190: ok 37975
190: ok 37976
190: ok 37977
190: ok 37978
190: ok 37979
190: ok 37980
190: ok 37981
190: ok 37982
190: ok 37983
190: ok 37984
190: ok 37985
190: ok 37986
190: ok 37987
190: ok 37988
190: ok 37989
190: ok 37990
190: ok 37991
190: ok 37992
190: ok 37993
190: ok 37994
190: ok 37995
190: ok 37996
190: ok 37997
190: ok 37998
190: ok 37999
190: ok 38000
190: ok 38001
190: ok 38002
190: ok 38003
190: ok 38004
190: ok 38005
190: ok 38006
190: ok 38007
190: ok 38008
190: ok 38009
190: ok 38010
190: ok 38011
190: ok 38012
190: ok 38013
190: ok 38014
190: ok 38015
190: ok 38016
190: ok 38017
190: ok 38018
190: ok 38019
190: ok 38020
190: ok 38021
190: ok 38022
190: ok 38023
190: ok 38024
190: ok 38025
190: ok 38026
190: ok 38027
190: ok 38028
190: ok 38029
190: ok 38030
190: ok 38031
190: ok 38032
190: ok 38033
190: ok 38034
190: ok 38035
190: ok 38036
190: ok 38037
190: ok 38038
190: ok 38039
190: ok 38040
190: ok 38041
190: ok 38042
190: ok 38043
190: ok 38044
190: ok 38045
190: ok 38046
190: ok 38047
190: ok 38048
190: ok 38049
190: ok 38050
190: ok 38051
190: ok 38052
190: ok 38053
190: ok 38054
190: ok 38055
190: ok 38056
190: ok 38057
190: ok 38058
190: ok 38059
190: ok 38060
190: ok 38061
190: ok 38062
190: ok 38063
190: ok 38064
190: ok 38065
190: ok 38066
190: ok 38067
190: ok 38068
190: ok 38069
190: ok 38070
190: ok 38071
190: ok 38072
190: ok 38073
190: ok 38074
190: ok 38075
190: ok 38076
190: ok 38077
190: ok 38078
190: ok 38079
190: ok 38080
190: ok 38081
190: ok 38082
190: ok 38083
190: ok 38084
190: ok 38085
190: ok 38086
190: ok 38087
190: ok 38088
190: ok 38089
190: ok 38090
190: ok 38091
190: ok 38092
190: ok 38093
190: ok 38094
190: ok 38095
190: ok 38096
190: ok 38097
190: ok 38098
190: ok 38099
190: ok 38100
190: ok 38101
190: ok 38102
190: ok 38103
190: ok 38104
190: ok 38105
190: ok 38106
190: ok 38107
190: ok 38108
190: ok 38109
190: ok 38110
190: ok 38111
190: ok 38112
190: ok 38113
190: ok 38114
190: ok 38115
190: ok 38116
190: ok 38117
190: ok 38118
190: ok 38119
190: ok 38120
190: ok 38121
190: ok 38122
190: ok 38123
190: ok 38124
190: ok 38125
190: ok 38126
190: ok 38127
190: ok 38128
190: ok 38129
190: ok 38130
190: ok 38131
190: ok 38132
190: ok 38133
190: ok 38134
190: ok 38135
190: ok 38136
190: ok 38137
190: ok 38138
190: ok 38139
190: ok 38140
190: ok 38141
190: ok 38142
190: ok 38143
190: ok 38144
190: ok 38145
190: ok 38146
190: ok 38147
190: ok 38148
190: ok 38149
190: ok 38150
190: ok 38151
190: ok 38152
190: ok 38153
190: ok 38154
190: ok 38155
190: ok 38156
190: ok 38157
190: ok 38158
190: ok 38159
190: ok 38160
190: ok 38161
190: ok 38162
190: ok 38163
190: ok 38164
190: ok 38165
190: ok 38166
190: ok 38167
190: ok 38168
190: ok 38169
190: ok 38170
190: ok 38171
190: ok 38172
190: ok 38173
190: ok 38174
190: ok 38175
190: ok 38176
190: ok 38177
190: ok 38178
190: ok 38179
190: ok 38180
190: ok 38181
190: ok 38182
190: ok 38183
190: ok 38184
190: ok 38185
190: ok 38186
190: ok 38187
190: ok 38188
190: ok 38189
190: ok 38190
190: ok 38191
190: ok 38192
190: ok 38193
190: ok 38194
190: ok 38195
190: ok 38196
190: ok 38197
190: ok 38198
190: ok 38199
190: ok 38200
190: ok 38201
190: ok 38202
190: ok 38203
190: ok 38204
190: ok 38205
190: ok 38206
190: ok 38207
190: ok 38208
190: ok 38209
190: ok 38210
190: ok 38211
190: ok 38212
190: ok 38213
190: ok 38214
190: ok 38215
190: ok 38216
190: ok 38217
190: ok 38218
190: ok 38219
190: ok 38220
190: ok 38221
190: ok 38222
190: ok 38223
190: ok 38224
190: ok 38225
190: ok 38226
190: ok 38227
190: ok 38228
190: ok 38229
190: ok 38230
190: ok 38231
190: ok 38232
190: ok 38233
190: ok 38234
190: ok 38235
190: ok 38236
190: ok 38237
190: ok 38238
190: ok 38239
190: ok 38240
190: ok 38241
190: ok 38242
190: ok 38243
190: ok 38244
190: ok 38245
190: ok 38246
190: ok 38247
190: ok 38248
190: ok 38249
190: ok 38250
190: ok 38251
190: ok 38252
190: ok 38253
190: ok 38254
190: ok 38255
190: ok 38256
190: ok 38257
190: ok 38258
190: ok 38259
190: ok 38260
190: ok 38261
190: ok 38262
190: ok 38263
190: ok 38264
190: ok 38265
190: ok 38266
190: ok 38267
190: ok 38268
190: ok 38269
190: ok 38270
190: ok 38271
190: ok 38272
190: ok 38273
190: ok 38274
190: ok 38275
190: ok 38276
190: ok 38277
190: ok 38278
190: ok 38279
190: ok 38280
190: ok 38281
190: ok 38282
190: ok 38283
190: ok 38284
190: ok 38285
190: ok 38286
190: ok 38287
190: ok 38288
190: ok 38289
190: ok 38290
190: ok 38291
190: ok 38292
190: ok 38293
190: ok 38294
190: ok 38295
190: ok 38296
190: ok 38297
190: ok 38298
190: ok 38299
190: ok 38300
190: ok 38301
190: ok 38302
190: ok 38303
190: ok 38304
190: ok 38305
190: ok 38306
190: ok 38307
190: ok 38308
190: ok 38309
190: ok 38310
190: ok 38311
190: ok 38312
190: ok 38313
190: ok 38314
190: ok 38315
190: ok 38316
190: ok 38317
190: ok 38318
190: ok 38319
190: ok 38320
190: ok 38321
190: ok 38322
190: ok 38323
190: ok 38324
190: ok 38325
190: ok 38326
190: ok 38327
190: ok 38328
190: ok 38329
190: ok 38330
190: ok 38331
190: ok 38332
190: ok 38333
190: ok 38334
190: ok 38335
190: ok 38336
190: ok 38337
190: ok 38338
190: ok 38339
190: ok 38340
190: ok 38341
190: ok 38342
190: ok 38343
190: ok 38344
190: ok 38345
190: ok 38346
190: ok 38347
190: ok 38348
190: ok 38349
190: ok 38350
190: ok 38351
190: ok 38352
190: ok 38353
190: ok 38354
190: ok 38355
190: ok 38356
190: ok 38357
190: ok 38358
190: ok 38359
190: ok 38360
190: ok 38361
190: ok 38362
190: ok 38363
190: ok 38364
190: ok 38365
190: ok 38366
190: ok 38367
190: ok 38368
190: ok 38369
190: ok 38370
190: ok 38371
190: ok 38372
190: ok 38373
190: ok 38374
190: ok 38375
190: ok 38376
190: ok 38377
190: ok 38378
190: ok 38379
190: ok 38380
190: ok 38381
190: ok 38382
190: ok 38383
190: ok 38384
190: ok 38385
190: ok 38386
190: ok 38387
190: ok 38388
190: ok 38389
190: ok 38390
190: ok 38391
190: ok 38392
190: ok 38393
190: ok 38394
190: ok 38395
190: ok 38396
190: ok 38397
190: ok 38398
190: ok 38399
190: ok 38400
190: ok 38401
190: ok 38402
190: ok 38403
190: ok 38404
190: ok 38405
190: ok 38406
190: ok 38407
190: ok 38408
190: ok 38409
190: ok 38410
190: ok 38411
190: ok 38412
190: ok 38413
190: ok 38414
190: ok 38415
190: ok 38416
190: ok 38417
190: ok 38418
190: ok 38419
190: ok 38420
190: ok 38421
190: ok 38422
190: ok 38423
190: ok 38424
190: ok 38425
190: ok 38426
190: ok 38427
190: ok 38428
190: ok 38429
190: ok 38430
190: ok 38431
190: ok 38432
190: ok 38433
190: ok 38434
190: ok 38435
190: ok 38436
190: ok 38437
190: ok 38438
190: ok 38439
190: ok 38440
190: ok 38441
190: ok 38442
190: ok 38443
190: ok 38444
190: ok 38445
190: ok 38446
190: ok 38447
190: ok 38448
190: ok 38449
190: ok 38450
190: ok 38451
190: ok 38452
190: ok 38453
190: ok 38454
190: ok 38455
190: ok 38456
190: ok 38457
190: ok 38458
190: ok 38459
190: ok 38460
190: ok 38461
190: ok 38462
190: ok 38463
190: ok 38464
190: ok 38465
190: ok 38466
190: ok 38467
190: ok 38468
190: ok 38469
190: ok 38470
190: ok 38471
190: ok 38472
190: ok 38473
190: ok 38474
190: ok 38475
190: ok 38476
190: ok 38477
190: ok 38478
190: ok 38479
190: ok 38480
190: ok 38481
190: ok 38482
190: ok 38483
190: ok 38484
190: ok 38485
190: ok 38486
190: ok 38487
190: ok 38488
190: ok 38489
190: ok 38490
190: ok 38491
190: ok 38492
190: ok 38493
190: ok 38494
190: ok 38495
190: ok 38496
190: ok 38497
190: ok 38498
190: ok 38499
190: ok 38500
190: ok 38501
190: ok 38502
190: ok 38503
190: ok 38504
190: ok 38505
190: ok 38506
190: ok 38507
190: ok 38508
190: ok 38509
190: ok 38510
190: ok 38511
190: ok 38512
190: ok 38513
190: ok 38514
190: ok 38515
190: ok 38516
190: ok 38517
190: ok 38518
190: ok 38519
190: ok 38520
190: ok 38521
190: ok 38522
190: ok 38523
190: ok 38524
190: ok 38525
190: ok 38526
190: ok 38527
190: ok 38528
190: ok 38529
190: ok 38530
190: ok 38531
190: ok 38532
190: ok 38533
190: ok 38534
190: ok 38535
190: ok 38536
190: ok 38537
190: ok 38538
190: ok 38539
190: ok 38540
190: ok 38541
190: ok 38542
190: ok 38543
190: ok 38544
190: ok 38545
190: ok 38546
190: ok 38547
190: ok 38548
190: ok 38549
190: ok 38550
190: ok 38551
190: ok 38552
190: ok 38553
190: ok 38554
190: ok 38555
190: ok 38556
190: ok 38557
190: ok 38558
190: ok 38559
190: ok 38560
190: ok 38561
190: ok 38562
190: ok 38563
190: ok 38564
190: ok 38565
190: ok 38566
190: ok 38567
190: ok 38568
190: ok 38569
190: ok 38570
190: ok 38571
190: ok 38572
190: ok 38573
190: ok 38574
190: ok 38575
190: ok 38576
190: ok 38577
190: ok 38578
190: ok 38579
190: ok 38580
190: ok 38581
190: ok 38582
190: ok 38583
190: ok 38584
190: ok 38585
190: ok 38586
190: ok 38587
190: ok 38588
190: ok 38589
190: ok 38590
190: ok 38591
190: ok 38592
190: ok 38593
190: ok 38594
190: ok 38595
190: ok 38596
190: ok 38597
190: ok 38598
190: ok 38599
190: ok 38600
190: ok 38601
190: ok 38602
190: ok 38603
190: ok 38604
190: ok 38605
190: ok 38606
190: ok 38607
190: ok 38608
190: ok 38609
190: ok 38610
190: ok 38611
190: ok 38612
190: ok 38613
190: ok 38614
190: ok 38615
190: ok 38616
190: ok 38617
190: ok 38618
190: ok 38619
190: ok 38620
190: ok 38621
190: ok 38622
190: ok 38623
190: ok 38624
190: ok 38625
190: ok 38626
190: ok 38627
190: ok 38628
190: ok 38629
190: ok 38630
190: ok 38631
190: ok 38632
190: ok 38633
190: ok 38634
190: ok 38635
190: ok 38636
190: ok 38637
190: ok 38638
190: ok 38639
190: ok 38640
190: ok 38641
190: ok 38642
190: ok 38643
190: ok 38644
190: ok 38645
190: ok 38646
190: ok 38647
190: ok 38648
190: ok 38649
190: ok 38650
190: ok 38651
190: ok 38652
190: ok 38653
190: ok 38654
190: ok 38655
190: ok 38656
190: ok 38657
190: ok 38658
190: ok 38659
190: ok 38660
190: ok 38661
190: ok 38662
190: ok 38663
190: ok 38664
190: ok 38665
190: ok 38666
190: ok 38667
190: ok 38668
190: ok 38669
190: ok 38670
190: ok 38671
190: ok 38672
190: ok 38673
190: ok 38674
190: ok 38675
190: ok 38676
190: ok 38677
190: ok 38678
190: ok 38679
190: ok 38680
190: ok 38681
190: ok 38682
190: ok 38683
190: ok 38684
190: ok 38685
190: ok 38686
190: ok 38687
190: ok 38688
190: ok 38689
190: ok 38690
190: ok 38691
190: ok 38692
190: ok 38693
190: ok 38694
190: ok 38695
190: ok 38696
190: ok 38697
190: ok 38698
190: ok 38699
190: ok 38700
190: ok 38701
190: ok 38702
190: ok 38703
190: ok 38704
190: ok 38705
190: ok 38706
190: ok 38707
190: ok 38708
190: ok 38709
190: ok 38710
190: ok 38711
190: ok 38712
190: ok 38713
190: ok 38714
190: ok 38715
190: ok 38716
190: ok 38717
190: ok 38718
190: ok 38719
190: ok 38720
190: ok 38721
190: ok 38722
190: ok 38723
190: ok 38724
190: ok 38725
190: ok 38726
190: ok 38727
190: ok 38728
190: ok 38729
190: ok 38730
190: ok 38731
190: ok 38732
190: ok 38733
190: ok 38734
190: ok 38735
190: ok 38736
190: ok 38737
190: ok 38738
190: ok 38739
190: ok 38740
190: ok 38741
190: ok 38742
190: ok 38743
190: ok 38744
190: ok 38745
190: ok 38746
190: ok 38747
190: ok 38748
190: ok 38749
190: ok 38750
190: ok 38751
190: ok 38752
190: ok 38753
190: ok 38754
190: ok 38755
190: ok 38756
190: ok 38757
190: ok 38758
190: ok 38759
190: ok 38760
190: ok 38761
190: ok 38762
190: ok 38763
190: ok 38764
190: ok 38765
190: ok 38766
190: ok 38767
190: ok 38768
190: ok 38769
190: ok 38770
190: ok 38771
190: ok 38772
190: ok 38773
190: ok 38774
190: ok 38775
190: ok 38776
190: ok 38777
190: ok 38778
190: ok 38779
190: ok 38780
190: ok 38781
190: ok 38782
190: ok 38783
190: ok 38784
190: ok 38785
190: ok 38786
190: ok 38787
190: ok 38788
190: ok 38789
190: ok 38790
190: ok 38791
190: ok 38792
190: ok 38793
190: ok 38794
190: ok 38795
190: ok 38796
190: ok 38797
190: ok 38798
190: ok 38799
190: ok 38800
190: ok 38801
190: ok 38802
190: ok 38803
190: ok 38804
190: ok 38805
190: ok 38806
190: ok 38807
190: ok 38808
190: ok 38809
190: ok 38810
190: ok 38811
190: ok 38812
190: ok 38813
190: ok 38814
190: ok 38815
190: ok 38816
190: ok 38817
190: ok 38818
190: ok 38819
190: ok 38820
190: ok 38821
190: ok 38822
190: ok 38823
190: ok 38824
190: ok 38825
190: ok 38826
190: ok 38827
190: ok 38828
190: ok 38829
190: ok 38830
190: ok 38831
190: ok 38832
190: ok 38833
190: ok 38834
190: ok 38835
190: ok 38836
190: ok 38837
190: ok 38838
190: ok 38839
190: ok 38840
190: ok 38841
190: ok 38842
190: ok 38843
190: ok 38844
190: ok 38845
190: ok 38846
190: ok 38847
190: ok 38848
190: ok 38849
190: ok 38850
190: ok 38851
190: ok 38852
190: ok 38853
190: ok 38854
190: ok 38855
190: ok 38856
190: ok 38857
190: ok 38858
190: ok 38859
190: ok 38860
190: ok 38861
190: ok 38862
190: ok 38863
190: ok 38864
190: ok 38865
190: ok 38866
190: ok 38867
190: ok 38868
190: ok 38869
190: ok 38870
190: ok 38871
190: ok 38872
190: ok 38873
190: ok 38874
190: ok 38875
190: ok 38876
190: ok 38877
190: ok 38878
190: ok 38879
190: ok 38880
190: ok 38881
190: ok 38882
190: ok 38883
190: ok 38884
190: ok 38885
190: ok 38886
190: ok 38887
190: ok 38888
190: ok 38889
190: ok 38890
190: ok 38891
190: ok 38892
190: ok 38893
190: ok 38894
190: ok 38895
190: ok 38896
190: ok 38897
190: ok 38898
190: ok 38899
190: ok 38900
190: ok 38901
190: ok 38902
190: ok 38903
190: ok 38904
190: ok 38905
190: ok 38906
190: ok 38907
190: ok 38908
190: ok 38909
190: ok 38910
190: ok 38911
190: ok 38912
190: ok 38913
190: ok 38914
190: ok 38915
190: ok 38916
190: ok 38917
190: ok 38918
190: ok 38919
190: ok 38920
190: ok 38921
190: ok 38922
190: ok 38923
190: ok 38924
190: ok 38925
190: ok 38926
190: ok 38927
190: ok 38928
190: ok 38929
190: ok 38930
190: ok 38931
190: ok 38932
190: ok 38933
190: ok 38934
190: ok 38935
190: ok 38936
190: ok 38937
190: ok 38938
190: ok 38939
190: ok 38940
190: ok 38941
190: ok 38942
190: ok 38943
190: ok 38944
190: ok 38945
190: ok 38946
190: ok 38947
190: ok 38948
190: ok 38949
190: ok 38950
190: ok 38951
190: ok 38952
190: ok 38953
190: ok 38954
190: ok 38955
190: ok 38956
190: ok 38957
190: ok 38958
190: ok 38959
190: ok 38960
190: ok 38961
190: ok 38962
190: ok 38963
190: ok 38964
190: ok 38965
190: ok 38966
190: ok 38967
190: ok 38968
190: ok 38969
190: ok 38970
190: ok 38971
190: ok 38972
190: ok 38973
190: ok 38974
190: ok 38975
190: ok 38976
190: ok 38977
190: ok 38978
190: ok 38979
190: ok 38980
190: ok 38981
190: ok 38982
190: ok 38983
190: ok 38984
190: ok 38985
190: ok 38986
190: ok 38987
190: ok 38988
190: ok 38989
190: ok 38990
190: ok 38991
190: ok 38992
190: ok 38993
190: ok 38994
190: ok 38995
190: ok 38996
190: ok 38997
190: ok 38998
190: ok 38999
190: ok 39000
190: ok 39001
190: ok 39002
190: ok 39003
190: ok 39004
190: ok 39005
190: ok 39006
190: ok 39007
190: ok 39008
190: ok 39009
190: ok 39010
190: ok 39011
190: ok 39012
190: ok 39013
190: ok 39014
190: ok 39015
190: ok 39016
190: ok 39017
190: ok 39018
190: ok 39019
190: ok 39020
190: ok 39021
190: ok 39022
190: ok 39023
190: ok 39024
190: ok 39025
190: ok 39026
190: ok 39027
190: ok 39028
190: ok 39029
190: ok 39030
190: ok 39031
190: ok 39032
190: ok 39033
190: ok 39034
190: ok 39035
190: ok 39036
190: ok 39037
190: ok 39038
190: ok 39039
190: ok 39040
190: ok 39041
190: ok 39042
190: ok 39043
190: ok 39044
190: ok 39045
190: ok 39046
190: ok 39047
190: ok 39048
190: ok 39049
190: ok 39050
190: ok 39051
190: ok 39052
190: ok 39053
190: ok 39054
190: ok 39055
190: ok 39056
190: ok 39057
190: ok 39058
190: ok 39059
190: ok 39060
190: ok 39061
190: ok 39062
190: ok 39063
190: ok 39064
190: ok 39065
190: ok 39066
190: ok 39067
190: ok 39068
190: ok 39069
190: ok 39070
190: ok 39071
190: ok 39072
190: ok 39073
190: ok 39074
190: ok 39075
190: ok 39076
190: ok 39077
190: ok 39078
190: ok 39079
190: ok 39080
190: ok 39081
190: ok 39082
190: ok 39083
190: ok 39084
190: ok 39085
190: ok 39086
190: ok 39087
190: ok 39088
190: ok 39089
190: ok 39090
190: ok 39091
190: ok 39092
190: ok 39093
190: ok 39094
190: ok 39095
190: ok 39096
190: ok 39097
190: ok 39098
190: ok 39099
190: ok 39100
190: ok 39101
190: ok 39102
190: ok 39103
190: ok 39104
190: ok 39105
190: ok 39106
190: ok 39107
190: ok 39108
190: ok 39109
190: ok 39110
190: ok 39111
190: ok 39112
190: ok 39113
190: ok 39114
190: ok 39115
190: ok 39116
190: ok 39117
190: ok 39118
190: ok 39119
190: ok 39120
190: ok 39121
190: ok 39122
190: ok 39123
190: ok 39124
190: ok 39125
190: ok 39126
190: ok 39127
190: ok 39128
190: ok 39129
190: ok 39130
190: ok 39131
190: ok 39132
190: ok 39133
190: ok 39134
190: ok 39135
190: ok 39136
190: ok 39137
190: ok 39138
190: ok 39139
190: ok 39140
190: ok 39141
190: ok 39142
190: ok 39143
190: ok 39144
190: ok 39145
190: ok 39146
190: ok 39147
190: ok 39148
190: ok 39149
190: ok 39150
190: ok 39151
190: ok 39152
190: ok 39153
190: ok 39154
190: ok 39155
190: ok 39156
190: ok 39157
190: ok 39158
190: ok 39159
190: ok 39160
190: ok 39161
190: ok 39162
190: ok 39163
190: ok 39164
190: ok 39165
190: ok 39166
190: ok 39167
190: ok 39168
190: ok 39169
190: ok 39170
190: ok 39171
190: ok 39172
190: ok 39173
190: ok 39174
190: ok 39175
190: ok 39176
190: ok 39177
190: ok 39178
190: ok 39179
190: ok 39180
190: ok 39181
190: ok 39182
190: ok 39183
190: ok 39184
190: ok 39185
190: ok 39186
190: ok 39187
190: ok 39188
190: ok 39189
190: ok 39190
190: ok 39191
190: ok 39192
190: ok 39193
190: ok 39194
190: ok 39195
190: ok 39196
190: ok 39197
190: ok 39198
190: ok 39199
190: ok 39200
190: ok 39201
190: ok 39202
190: ok 39203
190: ok 39204
190: ok 39205
190: ok 39206
190: ok 39207
190: ok 39208
190: ok 39209
190: ok 39210
190: ok 39211
190: ok 39212
190: ok 39213
190: ok 39214
190: ok 39215
190: ok 39216
190: ok 39217
190: ok 39218
190: ok 39219
190: ok 39220
190: ok 39221
190: ok 39222
190: ok 39223
190: ok 39224
190: ok 39225
190: ok 39226
190: ok 39227
190: ok 39228
190: ok 39229
190: ok 39230
190: ok 39231
190: ok 39232
190: ok 39233
190: ok 39234
190: ok 39235
190: ok 39236
190: ok 39237
190: ok 39238
190: ok 39239
190: ok 39240
190: ok 39241
190: ok 39242
190: ok 39243
190: ok 39244
190: ok 39245
190: ok 39246
190: ok 39247
190: ok 39248
190: ok 39249
190: ok 39250
190: ok 39251
190: ok 39252
190: ok 39253
190: ok 39254
190: ok 39255
190: ok 39256
190: ok 39257
190: ok 39258
190: ok 39259
190: ok 39260
190: ok 39261
190: ok 39262
190: ok 39263
190: ok 39264
190: ok 39265
190: ok 39266
190: ok 39267
190: ok 39268
190: ok 39269
190: ok 39270
190: ok 39271
190: ok 39272
190: ok 39273
190: ok 39274
190: ok 39275
190: ok 39276
190: ok 39277
190: ok 39278
190: ok 39279
190: ok 39280
190: ok 39281
190: ok 39282
190: ok 39283
190: ok 39284
190: ok 39285
190: ok 39286
190: ok 39287
190: ok 39288
190: ok 39289
190: ok 39290
190: ok 39291
190: ok 39292
190: ok 39293
190: ok 39294
190: ok 39295
190: ok 39296
190: ok 39297
190: ok 39298
190: ok 39299
190: ok 39300
190: ok 39301
190: ok 39302
190: ok 39303
190: ok 39304
190: ok 39305
190: ok 39306
190: ok 39307
190: ok 39308
190: ok 39309
190: ok 39310
190: ok 39311
190: ok 39312
190: ok 39313
190: ok 39314
190: ok 39315
190: ok 39316
190: ok 39317
190: ok 39318
190: ok 39319
190: ok 39320
190: ok 39321
190: ok 39322
190: ok 39323
190: ok 39324
190: ok 39325
190: ok 39326
190: ok 39327
190: ok 39328
190: ok 39329
190: ok 39330
190: ok 39331
190: ok 39332
190: ok 39333
190: ok 39334
190: ok 39335
190: ok 39336
190: ok 39337
190: ok 39338
190: ok 39339
190: ok 39340
190: ok 39341
190: ok 39342
190: ok 39343
190: ok 39344
190: ok 39345
190: ok 39346
190: ok 39347
190: ok 39348
190: ok 39349
190: ok 39350
190: ok 39351
190: ok 39352
190: ok 39353
190: ok 39354
190: ok 39355
190: ok 39356
190: ok 39357
190: ok 39358
190: ok 39359
190: ok 39360
190: ok 39361
190: ok 39362
190: ok 39363
190: ok 39364
190: ok 39365
190: ok 39366
190: ok 39367
190: ok 39368
190: ok 39369
190: ok 39370
190: ok 39371
190: ok 39372
190: ok 39373
190: ok 39374
190: ok 39375
190: ok 39376
190: ok 39377
190: ok 39378
190: ok 39379
190: ok 39380
190: ok 39381
190: ok 39382
190: ok 39383
190: ok 39384
190: ok 39385
190: ok 39386
190: ok 39387
190: ok 39388
190: ok 39389
190: ok 39390
190: ok 39391
190: ok 39392
190: ok 39393
190: ok 39394
190: ok 39395
190: ok 39396
190: ok 39397
190: ok 39398
190: ok 39399
190: ok 39400
190: ok 39401
190: ok 39402
190: ok 39403
190: ok 39404
190: ok 39405
190: ok 39406
190: ok 39407
190: ok 39408
190: ok 39409
190: ok 39410
190: ok 39411
190: ok 39412
190: ok 39413
190: ok 39414
190: ok 39415
190: ok 39416
190: ok 39417
190: ok 39418
190: ok 39419
190: ok 39420
190: ok 39421
190: ok 39422
190: ok 39423
190: ok 39424
190: ok 39425
190: ok 39426
190: ok 39427
190: ok 39428
190: ok 39429
190: ok 39430
190: ok 39431
190: ok 39432
190: ok 39433
190: ok 39434
190: ok 39435
190: ok 39436
190: ok 39437
190: ok 39438
190: ok 39439
190: ok 39440
190: ok 39441
190: ok 39442
190: ok 39443
190: ok 39444
190: ok 39445
190: ok 39446
190: ok 39447
190: ok 39448
190: ok 39449
190: ok 39450
190: ok 39451
190: ok 39452
190: ok 39453
190: ok 39454
190: ok 39455
190: ok 39456
190: ok 39457
190: ok 39458
190: ok 39459
190: ok 39460
190: ok 39461
190: ok 39462
190: ok 39463
190: ok 39464
190: ok 39465
190: ok 39466
190: ok 39467
190: ok 39468
190: ok 39469
190: ok 39470
190: ok 39471
190: ok 39472
190: ok 39473
190: ok 39474
190: ok 39475
190: ok 39476
190: ok 39477
190: ok 39478
190: ok 39479
190: ok 39480
190: ok 39481
190: ok 39482
190: ok 39483
190: ok 39484
190: ok 39485
190: ok 39486
190: ok 39487
190: ok 39488
190: ok 39489
190: ok 39490
190: ok 39491
190: ok 39492
190: ok 39493
190: ok 39494
190: ok 39495
190: ok 39496
190: ok 39497
190: ok 39498
190: ok 39499
190: ok 39500
190: ok 39501
190: ok 39502
190: ok 39503
190: ok 39504
190: ok 39505
190: ok 39506
190: ok 39507
190: ok 39508
190: ok 39509
190: ok 39510
190: ok 39511
190: ok 39512
190: ok 39513
190: ok 39514
190: ok 39515
190: ok 39516
190: ok 39517
190: ok 39518
190: ok 39519
190: ok 39520
190: ok 39521
190: ok 39522
190: ok 39523
190: ok 39524
190: ok 39525
190: ok 39526
190: ok 39527
190: ok 39528
190: ok 39529
190: ok 39530
190: ok 39531
190: ok 39532
190: ok 39533
190: ok 39534
190: ok 39535
190: ok 39536
190: ok 39537
190: ok 39538
190: ok 39539
190: ok 39540
190: ok 39541
190: ok 39542
190: ok 39543
190: ok 39544
190: ok 39545
190: ok 39546
190: ok 39547
190: ok 39548
190: ok 39549
190: ok 39550
190: ok 39551
190: ok 39552
190: ok 39553
190: ok 39554
190: ok 39555
190: ok 39556
190: ok 39557
190: ok 39558
190: ok 39559
190: ok 39560
190: ok 39561
190: ok 39562
190: ok 39563
190: ok 39564
190: ok 39565
190: ok 39566
190: ok 39567
190: ok 39568
190: ok 39569
190: ok 39570
190: ok 39571
190: ok 39572
190: ok 39573
190: ok 39574
190: ok 39575
190: ok 39576
190: ok 39577
190: ok 39578
190: ok 39579
190: ok 39580
190: ok 39581
190: ok 39582
190: ok 39583
190: ok 39584
190: ok 39585
190: ok 39586
190: ok 39587
190: ok 39588
190: ok 39589
190: ok 39590
190: ok 39591
190: ok 39592
190: ok 39593
190: ok 39594
190: ok 39595
190: ok 39596
190: ok 39597
190: ok 39598
190: ok 39599
190: ok 39600
190: ok 39601
190: ok 39602
190: ok 39603
190: ok 39604
190: ok 39605
190: ok 39606
190: ok 39607
190: ok 39608
190: ok 39609
190: ok 39610
190: ok 39611
190: ok 39612
190: ok 39613
190: ok 39614
190: ok 39615
190: ok 39616
190: ok 39617
190: ok 39618
190: ok 39619
190: ok 39620
190: ok 39621
190: ok 39622
190: ok 39623
190: ok 39624
190: ok 39625
190: ok 39626
190: ok 39627
190: ok 39628
190: ok 39629
190: ok 39630
190: ok 39631
190: ok 39632
190: ok 39633
190: ok 39634
190: ok 39635
190: ok 39636
190: ok 39637
190: ok 39638
190: ok 39639
190: ok 39640
190: ok 39641
190: ok 39642
190: ok 39643
190: ok 39644
190: ok 39645
190: ok 39646
190: ok 39647
190: ok 39648
190: ok 39649
190: ok 39650
190: ok 39651
190: ok 39652
190: ok 39653
190: ok 39654
190: ok 39655
190: ok 39656
190: ok 39657
190: ok 39658
190: ok 39659
190: ok 39660
190: ok 39661
190: ok 39662
190: ok 39663
190: ok 39664
190: ok 39665
190: ok 39666
190: ok 39667
190: ok 39668
190: ok 39669
190: ok 39670
190: ok 39671
190: ok 39672
190: ok 39673
190: ok 39674
190: ok 39675
190: ok 39676
190: ok 39677
190: ok 39678
190: ok 39679
190: ok 39680
190: ok 39681
190: ok 39682
190: ok 39683
190: ok 39684
190: ok 39685
190: ok 39686
190: ok 39687
190: ok 39688
190: ok 39689
190: ok 39690
190: ok 39691
190: ok 39692
190: ok 39693
190: ok 39694
190: ok 39695
190: ok 39696
190: ok 39697
190: ok 39698
190: ok 39699
190: ok 39700
190: ok 39701
190: ok 39702
190: ok 39703
190: ok 39704
190: ok 39705
190: ok 39706
190: ok 39707
190: ok 39708
190: ok 39709
190: ok 39710
190: ok 39711
190: ok 39712
190: ok 39713
190: ok 39714
190: ok 39715
190: ok 39716
190: ok 39717
190: ok 39718
190: ok 39719
190: ok 39720
190: ok 39721
190: ok 39722
190: ok 39723
190: ok 39724
190: ok 39725
190: ok 39726
190: ok 39727
190: ok 39728
190: ok 39729
190: ok 39730
190: ok 39731
190: ok 39732
190: ok 39733
190: ok 39734
190: ok 39735
190: ok 39736
190: ok 39737
190: ok 39738
190: ok 39739
190: ok 39740
190: ok 39741
190: ok 39742
190: ok 39743
190: ok 39744
190: ok 39745
190: ok 39746
190: ok 39747
190: ok 39748
190: ok 39749
190: ok 39750
190: ok 39751
190: ok 39752
190: ok 39753
190: ok 39754
190: ok 39755
190: ok 39756
190: ok 39757
190: ok 39758
190: ok 39759
190: ok 39760
190: ok 39761
190: ok 39762
190: ok 39763
190: ok 39764
190: ok 39765
190: ok 39766
190: ok 39767
190: ok 39768
190: ok 39769
190: ok 39770
190: ok 39771
190: ok 39772
190: ok 39773
190: ok 39774
190: ok 39775
190: ok 39776
190: ok 39777
190: ok 39778
190: ok 39779
190: ok 39780
190: ok 39781
190: ok 39782
190: ok 39783
190: ok 39784
190: ok 39785
190: ok 39786
190: ok 39787
190: ok 39788
190: ok 39789
190: ok 39790
190: ok 39791
190: ok 39792
190: ok 39793
190: ok 39794
190: ok 39795
190: ok 39796
190: ok 39797
190: ok 39798
190: ok 39799
190: ok 39800
190: ok 39801
190: ok 39802
190: ok 39803
190: ok 39804
190: ok 39805
190: ok 39806
190: ok 39807
190: ok 39808
190: ok 39809
190: ok 39810
190: ok 39811
190: ok 39812
190: ok 39813
190: ok 39814
190: ok 39815
190: ok 39816
190: ok 39817
190: ok 39818
190: ok 39819
190: ok 39820
190: ok 39821
190: ok 39822
190: ok 39823
190: ok 39824
190: ok 39825
190: ok 39826
190: ok 39827
190: ok 39828
190: ok 39829
190: ok 39830
190: ok 39831
190: ok 39832
190: ok 39833
190: ok 39834
190: ok 39835
190: ok 39836
190: ok 39837
190: ok 39838
190: ok 39839
190: ok 39840
190: ok 39841
190: ok 39842
190: ok 39843
190: ok 39844
190: ok 39845
190: ok 39846
190: ok 39847
190: ok 39848
190: ok 39849
190: ok 39850
190: ok 39851
190: ok 39852
190: ok 39853
190: ok 39854
190: ok 39855
190: ok 39856
190: ok 39857
190: ok 39858
190: ok 39859
190: ok 39860
190: ok 39861
190: ok 39862
190: ok 39863
190: ok 39864
190: ok 39865
190: ok 39866
190: ok 39867
190: ok 39868
190: ok 39869
190: ok 39870
190: ok 39871
190: ok 39872
190: ok 39873
190: ok 39874
190: ok 39875
190: ok 39876
190: ok 39877
190: ok 39878
190: ok 39879
190: ok 39880
190: ok 39881
190: ok 39882
190: ok 39883
190: ok 39884
190: ok 39885
190: ok 39886
190: ok 39887
190: ok 39888
190: ok 39889
190: ok 39890
190: ok 39891
190: ok 39892
190: ok 39893
190: ok 39894
190: ok 39895
190: ok 39896
190: ok 39897
190: ok 39898
190: ok 39899
190: ok 39900
190: ok 39901
190: ok 39902
190: ok 39903
190: ok 39904
190: ok 39905
190: ok 39906
190: ok 39907
190: ok 39908
190: ok 39909
190: ok 39910
190: ok 39911
190: ok 39912
190: ok 39913
190: ok 39914
190: ok 39915
190: ok 39916
190: ok 39917
190: ok 39918
190: ok 39919
190: ok 39920
190: ok 39921
190: ok 39922
190: ok 39923
190: ok 39924
190: ok 39925
190: ok 39926
190: ok 39927
190: ok 39928
190: ok 39929
190: ok 39930
190: ok 39931
190: ok 39932
190: ok 39933
190: ok 39934
190: ok 39935
190: ok 39936
190: ok 39937
190: ok 39938
190: ok 39939
190: ok 39940
190: ok 39941
190: ok 39942
190: ok 39943
190: ok 39944
190: ok 39945
190: ok 39946
190: ok 39947
190: ok 39948
190: ok 39949
190: ok 39950
190: ok 39951
190: ok 39952
190: ok 39953
190: ok 39954
190: ok 39955
190: ok 39956
190: ok 39957
190: ok 39958
190: ok 39959
190: ok 39960
190: ok 39961
190: ok 39962
190: ok 39963
190: ok 39964
190: ok 39965
190: ok 39966
190: ok 39967
190: ok 39968
190: ok 39969
190: ok 39970
190: ok 39971
190: ok 39972
190: ok 39973
190: ok 39974
190: ok 39975
190: ok 39976
190: ok 39977
190: ok 39978
190: ok 39979
190: ok 39980
190: ok 39981
190: ok 39982
190: ok 39983
190: ok 39984
190: ok 39985
190: ok 39986
190: ok 39987
190: ok 39988
190: ok 39989
190: ok 39990
190: ok 39991
190: ok 39992
190: ok 39993
190: ok 39994
190: ok 39995
190: ok 39996
190: ok 39997
190: ok 39998
190: ok 39999
190: ok 40000
190: ok 40001
190: ok 40002
190: ok 40003
190: ok 40004
190: ok 40005
190: ok 40006
190: ok 40007
190: ok 40008
190: ok 40009
190: ok 40010
190: ok 40011
190: ok 40012
190: ok 40013
190: ok 40014
190: ok 40015
190: ok 40016
190: ok 40017
190: ok 40018
190: ok 40019
190: ok 40020
190: ok 40021
190: ok 40022
190: ok 40023
190: ok 40024
190: ok 40025
190: ok 40026
190: ok 40027
190: ok 40028
190: ok 40029
190: ok 40030
190: ok 40031
190: ok 40032
190: ok 40033
190: ok 40034
190: ok 40035
190: ok 40036
190: ok 40037
190: ok 40038
190: ok 40039
190: ok 40040
190: ok 40041
190: ok 40042
190: ok 40043
190: ok 40044
190: ok 40045
190: ok 40046
190: ok 40047
190: ok 40048
190: ok 40049
190: ok 40050
190: ok 40051
190: ok 40052
190: ok 40053
190: ok 40054
190: ok 40055
190: ok 40056
190: ok 40057
190: ok 40058
190: ok 40059
190: ok 40060
190: ok 40061
190: ok 40062
190: ok 40063
190: ok 40064
190: ok 40065
190: ok 40066
190: ok 40067
190: ok 40068
190: ok 40069
190: ok 40070
190: ok 40071
190: ok 40072
190: ok 40073
190: ok 40074
190: ok 40075
190: ok 40076
190: ok 40077
190: ok 40078
190: ok 40079
190: ok 40080
190: ok 40081
190: ok 40082
190: ok 40083
190: ok 40084
190: ok 40085
190: ok 40086
190: ok 40087
190: ok 40088
190: ok 40089
190: ok 40090
190: ok 40091
190: ok 40092
190: ok 40093
190: ok 40094
190: ok 40095
190: ok 40096
190: ok 40097
190: ok 40098
190: ok 40099
190: ok 40100
190: ok 40101
190: ok 40102
190: ok 40103
190: ok 40104
190: ok 40105
190: ok 40106
190: ok 40107
190: ok 40108
190: ok 40109
190: ok 40110
190: ok 40111
190: ok 40112
190: ok 40113
190: ok 40114
190: ok 40115
190: ok 40116
190: ok 40117
190: ok 40118
190: ok 40119
190: ok 40120
190: ok 40121
190: ok 40122
190: ok 40123
190: ok 40124
190: ok 40125
190: ok 40126
190: ok 40127
190: ok 40128
190: ok 40129
190: ok 40130
190: ok 40131
190: ok 40132
190: ok 40133
190: ok 40134
190: ok 40135
190: ok 40136
190: ok 40137
190: ok 40138
190: ok 40139
190: ok 40140
190: ok 40141
190: ok 40142
190: ok 40143
190: ok 40144
190: ok 40145
190: ok 40146
190: ok 40147
190: ok 40148
190: ok 40149
190: ok 40150
190: ok 40151
190: ok 40152
190: ok 40153
190: ok 40154
190: ok 40155
190: ok 40156
190: ok 40157
190: ok 40158
190: ok 40159
190: ok 40160
190: ok 40161
190: ok 40162
190: ok 40163
190: ok 40164
190: ok 40165
190: ok 40166
190: ok 40167
190: ok 40168
190: ok 40169
190: ok 40170
190: ok 40171
190: ok 40172
190: ok 40173
190: ok 40174
190: ok 40175
190: ok 40176
190: ok 40177
190: ok 40178
190: ok 40179
190: ok 40180
190: ok 40181
190: ok 40182
190: ok 40183
190: ok 40184
190: ok 40185
190: ok 40186
190: ok 40187
190: ok 40188
190: ok 40189
190: ok 40190
190: ok 40191
190: ok 40192
190: ok 40193
190: ok 40194
190: ok 40195
190: ok 40196
190: ok 40197
190: ok 40198
190: ok 40199
190: ok 40200
190: ok 40201
190: ok 40202
190: ok 40203
190: ok 40204
190: ok 40205
190: ok 40206
190: ok 40207
190: ok 40208
190: ok 40209
190: ok 40210
190: ok 40211
190: ok 40212
190: ok 40213
190: ok 40214
190: ok 40215
190: ok 40216
190: ok 40217
190: ok 40218
190: ok 40219
190: ok 40220
190: ok 40221
190: ok 40222
190: ok 40223
190: ok 40224
190: ok 40225
190: ok 40226
190: ok 40227
190: ok 40228
190: ok 40229
190: ok 40230
190: ok 40231
190: ok 40232
190: ok 40233
190: ok 40234
190: ok 40235
190: ok 40236
190: ok 40237
190: ok 40238
190: ok 40239
190: ok 40240
190: ok 40241
190: ok 40242
190: ok 40243
190: ok 40244
190: ok 40245
190: ok 40246
190: ok 40247
190: ok 40248
190: ok 40249
190: ok 40250
190: ok 40251
190: ok 40252
190: ok 40253
190: ok 40254
190: ok 40255
190: ok 40256
190: ok 40257
190: ok 40258
190: ok 40259
190: ok 40260
190: ok 40261
190: ok 40262
190: ok 40263
190: ok 40264
190: ok 40265
190: ok 40266
190: ok 40267
190: ok 40268
190: ok 40269
190: ok 40270
190: ok 40271
190: ok 40272
190: ok 40273
190: ok 40274
190: ok 40275
190: ok 40276
190: ok 40277
190: ok 40278
190: ok 40279
190: ok 40280
190: ok 40281
190: ok 40282
190: ok 40283
190: ok 40284
190: ok 40285
190: ok 40286
190: ok 40287
190: ok 40288
190: ok 40289
190: ok 40290
190: ok 40291
190: ok 40292
190: ok 40293
190: ok 40294
190: ok 40295
190: ok 40296
190: ok 40297
190: ok 40298
190: ok 40299
190: ok 40300
190: ok 40301
190: ok 40302
190: ok 40303
190: ok 40304
190: ok 40305
190: ok 40306
190: ok 40307
190: ok 40308
190: ok 40309
190: ok 40310
190: ok 40311
190: ok 40312
190: ok 40313
190: ok 40314
190: ok 40315
190: ok 40316
190: ok 40317
190: ok 40318
190: ok 40319
190: ok 40320
190: ok 40321
190: ok 40322
190: ok 40323
190: ok 40324
190: ok 40325
190: ok 40326
190: ok 40327
190: ok 40328
190: ok 40329
190: ok 40330
190: ok 40331
190: ok 40332
190: ok 40333
190: ok 40334
190: ok 40335
190: ok 40336
190: ok 40337
190: ok 40338
190: ok 40339
190: ok 40340
190: ok 40341
190: ok 40342
190: ok 40343
190: ok 40344
190: ok 40345
190: ok 40346
190: ok 40347
190: ok 40348
190: ok 40349
190: ok 40350
190: ok 40351
190: ok 40352
190: ok 40353
190: ok 40354
190: ok 40355
190: ok 40356
190: ok 40357
190: ok 40358
190: ok 40359
190: ok 40360
190: ok 40361
190: ok 40362
190: ok 40363
190: ok 40364
190: ok 40365
190: ok 40366
190: ok 40367
190: ok 40368
190: ok 40369
190: ok 40370
190: ok 40371
190: ok 40372
190: ok 40373
190: ok 40374
190: ok 40375
190: ok 40376
190: ok 40377
190: ok 40378
190: ok 40379
190: ok 40380
190: ok 40381
190: ok 40382
190: ok 40383
190: ok 40384
190: ok 40385
190: ok 40386
190: ok 40387
190: ok 40388
190: ok 40389
190: ok 40390
190: ok 40391
190: ok 40392
190: ok 40393
190: ok 40394
190: ok 40395
190: ok 40396
190: ok 40397
190: ok 40398
190: ok 40399
190: ok 40400
190: ok 40401
190: ok 40402
190: ok 40403
190: ok 40404
190: ok 40405
190: ok 40406
190: ok 40407
190: ok 40408
190: ok 40409
190: ok 40410
190: ok 40411
190: ok 40412
190: ok 40413
190: ok 40414
190: ok 40415
190: ok 40416
190: ok 40417
190: ok 40418
190: ok 40419
190: ok 40420
190: ok 40421
190: ok 40422
190: ok 40423
190: ok 40424
190: ok 40425
190: ok 40426
190: ok 40427
190: ok 40428
190: ok 40429
190: ok 40430
190: ok 40431
190: ok 40432
190: ok 40433
190: ok 40434
190: ok 40435
190: ok 40436
190: ok 40437
190: ok 40438
190: ok 40439
190: ok 40440
190: ok 40441
190: ok 40442
190: ok 40443
190: ok 40444
190: ok 40445
190: ok 40446
190: ok 40447
190: ok 40448
190: ok 40449
190: ok 40450
190: ok 40451
190: ok 40452
190: ok 40453
190: ok 40454
190: ok 40455
190: ok 40456
190: ok 40457
190: ok 40458
190: ok 40459
190: ok 40460
190: ok 40461
190: ok 40462
190: ok 40463
190: ok 40464
190: ok 40465
190: ok 40466
190: ok 40467
190: ok 40468
190: ok 40469
190: ok 40470
190: ok 40471
190: ok 40472
190: ok 40473
190: ok 40474
190: ok 40475
190: ok 40476
190: ok 40477
190: ok 40478
190: ok 40479
190: ok 40480
190: ok 40481
190: ok 40482
190: ok 40483
190: ok 40484
190: ok 40485
190: ok 40486
190: ok 40487
190: ok 40488
190: ok 40489
190: ok 40490
190: ok 40491
190: ok 40492
190: ok 40493
190: ok 40494
190: ok 40495
190: ok 40496
190: ok 40497
190: ok 40498
190: ok 40499
190: ok 40500
190: ok 40501
190: ok 40502
190: ok 40503
190: ok 40504
190: ok 40505
190: ok 40506
190: ok 40507
190: ok 40508
190: ok 40509
190: ok 40510
190: ok 40511
190: ok 40512
190: ok 40513
190: ok 40514
190: ok 40515
190: ok 40516
190: ok 40517
190: ok 40518
190: ok 40519
190: ok 40520
190: ok 40521
190: ok 40522
190: ok 40523
190: ok 40524
190: ok 40525
190: ok 40526
190: ok 40527
190: ok 40528
190: ok 40529
190: ok 40530
190: ok 40531
190: ok 40532
190: ok 40533
190: ok 40534
190: ok 40535
190: ok 40536
190: ok 40537
190: ok 40538
190: ok 40539
190: ok 40540
190: ok 40541
190: ok 40542
190: ok 40543
190: ok 40544
190: ok 40545
190: ok 40546
190: ok 40547
190: ok 40548
190: ok 40549
190: ok 40550
190: ok 40551
190: ok 40552
190: ok 40553
190: ok 40554
190: ok 40555
190: ok 40556
190: ok 40557
190: ok 40558
190: ok 40559
190: ok 40560
190: ok 40561
190: ok 40562
190: ok 40563
190: ok 40564
190: ok 40565
190: ok 40566
190: ok 40567
190: ok 40568
190: ok 40569
190: ok 40570
190: ok 40571
190: ok 40572
190: ok 40573
190: ok 40574
190: ok 40575
190: ok 40576
190: ok 40577
190: ok 40578
190: ok 40579
190: ok 40580
190: ok 40581
190: ok 40582
190: ok 40583
190: ok 40584
190: ok 40585
190: ok 40586
190: ok 40587
190: ok 40588
190: ok 40589
190: ok 40590
190: ok 40591
190: ok 40592
190: ok 40593
190: ok 40594
190: ok 40595
190: ok 40596
190: ok 40597
190: ok 40598
190: ok 40599
190: ok 40600
190: ok 40601
190: ok 40602
190: ok 40603
190: ok 40604
190: ok 40605
190: ok 40606
190: ok 40607
190: ok 40608
190: ok 40609
190: ok 40610
190: ok 40611
190: ok 40612
190: ok 40613
190: ok 40614
190: ok 40615
190: ok 40616
190: ok 40617
190: ok 40618
190: ok 40619
190: ok 40620
190: ok 40621
190: ok 40622
190: ok 40623
190: ok 40624
190: ok 40625
190: ok 40626
190: ok 40627
190: ok 40628
190: ok 40629
190: ok 40630
190: ok 40631
190: ok 40632
190: ok 40633
190: ok 40634
190: ok 40635
190: ok 40636
190: ok 40637
190: ok 40638
190: ok 40639
190: ok 40640
190: ok 40641
190: ok 40642
190: ok 40643
190: ok 40644
190: ok 40645
190: ok 40646
190: ok 40647
190: ok 40648
190: ok 40649
190: ok 40650
190: ok 40651
190: ok 40652
190: ok 40653
190: ok 40654
190: ok 40655
190: ok 40656
190: ok 40657
190: ok 40658
190: ok 40659
190: ok 40660
190: ok 40661
190: ok 40662
190: ok 40663
190: ok 40664
190: ok 40665
190: ok 40666
190: ok 40667
190: ok 40668
190: ok 40669
190: ok 40670
190: ok 40671
190: ok 40672
190: ok 40673
190: ok 40674
190: ok 40675
190: ok 40676
190: ok 40677
190: ok 40678
190: ok 40679
190: ok 40680
190: ok 40681
190: ok 40682
190: ok 40683
190: ok 40684
190: ok 40685
190: ok 40686
190: ok 40687
190: ok 40688
190: ok 40689
190: ok 40690
190: ok 40691
190: ok 40692
190: ok 40693
190: ok 40694
190: ok 40695
190: ok 40696
190: ok 40697
190: ok 40698
190: ok 40699
190: ok 40700
190: ok 40701
190: ok 40702
190: ok 40703
190: ok 40704
190: ok 40705
190: ok 40706
190: ok 40707
190: ok 40708
190: ok 40709
190: ok 40710
190: ok 40711
190: ok 40712
190: ok 40713
190: ok 40714
190: ok 40715
190: ok 40716
190: ok 40717
190: ok 40718
190: ok 40719
190: ok 40720
190: ok 40721
190: ok 40722
190: ok 40723
190: ok 40724
190: ok 40725
190: ok 40726
190: ok 40727
190: ok 40728
190: ok 40729
190: ok 40730
190: ok 40731
190: ok 40732
190: ok 40733
190: ok 40734
190: ok 40735
190: ok 40736
190: ok 40737
190: ok 40738
190: ok 40739
190: ok 40740
190: ok 40741
190: ok 40742
190: ok 40743
190: ok 40744
190: ok 40745
190: ok 40746
190: ok 40747
190: ok 40748
190: ok 40749
190: ok 40750
190: ok 40751
190: ok 40752
190: ok 40753
190: ok 40754
190: ok 40755
190: ok 40756
190: ok 40757
190: ok 40758
190: ok 40759
190: ok 40760
190: ok 40761
190: ok 40762
190: ok 40763
190: ok 40764
190: ok 40765
190: ok 40766
190: ok 40767
190: ok 40768
190: ok 40769
190: ok 40770
190: ok 40771
190: ok 40772
190: ok 40773
190: ok 40774
190: ok 40775
190: ok 40776
190: ok 40777
190: ok 40778
190: ok 40779
190: ok 40780
190: ok 40781
190: ok 40782
190: ok 40783
190: ok 40784
190: ok 40785
190: ok 40786
190: ok 40787
190: ok 40788
190: ok 40789
190: ok 40790
190: ok 40791
190: ok 40792
190: ok 40793
190: ok 40794
190: ok 40795
190: ok 40796
190: ok 40797
190: ok 40798
190: ok 40799
190: ok 40800
190: ok 40801
190: ok 40802
190: ok 40803
190: ok 40804
190: ok 40805
190: ok 40806
190: ok 40807
190: ok 40808
190: ok 40809
190: ok 40810
190: ok 40811
190: ok 40812
190: ok 40813
190: ok 40814
190: ok 40815
190: ok 40816
190: ok 40817
190: ok 40818
190: ok 40819
190: ok 40820
190: ok 40821
190: ok 40822
190: ok 40823
190: ok 40824
190: ok 40825
190: ok 40826
190: ok 40827
190: ok 40828
190: ok 40829
190: ok 40830
190: ok 40831
190: ok 40832
190: ok 40833
190: ok 40834
190: ok 40835
190: ok 40836
190: ok 40837
190: ok 40838
190: ok 40839
190: ok 40840
190: ok 40841
190: ok 40842
190: ok 40843
190: ok 40844
190: ok 40845
190: ok 40846
190: ok 40847
190: ok 40848
190: ok 40849
190: ok 40850
190: ok 40851
190: ok 40852
190: ok 40853
190: ok 40854
190: ok 40855
190: ok 40856
190: ok 40857
190: ok 40858
190: ok 40859
190: ok 40860
190: ok 40861
190: ok 40862
190: ok 40863
190: ok 40864
190: ok 40865
190: ok 40866
190: ok 40867
190: ok 40868
190: ok 40869
190: ok 40870
190: ok 40871
190: ok 40872
190: ok 40873
190: ok 40874
190: ok 40875
190: ok 40876
190: ok 40877
190: ok 40878
190: ok 40879
190: ok 40880
190: ok 40881
190: ok 40882
190: ok 40883
190: ok 40884
190: ok 40885
190: ok 40886
190: ok 40887
190: ok 40888
190: ok 40889
190: ok 40890
190: ok 40891
190: ok 40892
190: ok 40893
190: ok 40894
190: ok 40895
190: ok 40896
190: ok 40897
190: ok 40898
190: ok 40899
190: ok 40900
190: ok 40901
190: ok 40902
190: ok 40903
190: ok 40904
190: ok 40905
190: ok 40906
190: ok 40907
190: ok 40908
190: ok 40909
190: ok 40910
190: ok 40911
190: ok 40912
190: ok 40913
190: ok 40914
190: ok 40915
190: ok 40916
190: ok 40917
190: ok 40918
190: ok 40919
190: ok 40920
190: ok 40921
190: ok 40922
190: ok 40923
190: ok 40924
190: ok 40925
190: ok 40926
190: ok 40927
190: ok 40928
190: ok 40929
190: ok 40930
190: ok 40931
190: ok 40932
190: ok 40933
190: ok 40934
190: ok 40935
190: ok 40936
190: ok 40937
190: ok 40938
190: ok 40939
190: ok 40940
190: ok 40941
190: ok 40942
190: ok 40943
190: ok 40944
190: ok 40945
190: ok 40946
190: ok 40947
190: ok 40948
190: ok 40949
190: ok 40950
190: ok 40951
190: ok 40952
190: ok 40953
190: ok 40954
190: ok 40955
190: ok 40956
190: ok 40957
190: ok 40958
190: ok 40959
190: ok 40960
190: ok 40961
190: ok 40962
190: ok 40963
190: ok 40964
190: ok 40965
190: ok 40966
190: ok 40967
190: ok 40968
190: ok 40969
190: ok 40970
190: ok 40971
190: ok 40972
190: ok 40973
190: ok 40974
190: ok 40975
190: ok 40976
190: ok 40977
190: ok 40978
190: ok 40979
190: ok 40980
190: ok 40981
190: ok 40982
190: ok 40983
190: ok 40984
190: ok 40985
190: ok 40986
190: ok 40987
190: ok 40988
190: ok 40989
190: ok 40990
190: ok 40991
190: ok 40992
190: ok 40993
190: ok 40994
190: ok 40995
190: ok 40996
190: ok 40997
190: ok 40998
190: ok 40999
190: ok 41000
190: ok 41001
190: ok 41002
190: ok 41003
190: ok 41004
190: ok 41005
190: ok 41006
190: ok 41007
190: ok 41008
190: ok 41009
190: ok 41010
190: ok 41011
190: ok 41012
190: ok 41013
190: ok 41014
190: ok 41015
190: ok 41016
190: ok 41017
190: ok 41018
190: ok 41019
190: ok 41020
190: ok 41021
190: ok 41022
190: ok 41023
190: ok 41024
190: ok 41025
190: ok 41026
190: ok 41027
190: ok 41028
190: ok 41029
190: ok 41030
190: ok 41031
190: ok 41032
190: ok 41033
190: ok 41034
190: ok 41035
190: ok 41036
190: ok 41037
190: ok 41038
190: ok 41039
190: ok 41040
190: ok 41041
190: ok 41042
190: ok 41043
190: ok 41044
190: ok 41045
190: ok 41046
190: ok 41047
190: ok 41048
190: ok 41049
190: ok 41050
190: ok 41051
190: ok 41052
190: ok 41053
190: ok 41054
190: ok 41055
190: ok 41056
190: ok 41057
190: ok 41058
190: ok 41059
190: ok 41060
190: ok 41061
190: ok 41062
190: ok 41063
190: ok 41064
190: ok 41065
190: ok 41066
190: ok 41067
190: ok 41068
190: ok 41069
190: ok 41070
190: ok 41071
190: ok 41072
190: ok 41073
190: ok 41074
190: ok 41075
190: ok 41076
190: ok 41077
190: ok 41078
190: ok 41079
190: ok 41080
190: ok 41081
190: ok 41082
190: ok 41083
190: ok 41084
190: ok 41085
190: ok 41086
190: ok 41087
190: ok 41088
190: ok 41089
190: ok 41090
190: ok 41091
190: ok 41092
190: ok 41093
190: ok 41094
190: ok 41095
190: ok 41096
190: ok 41097
190: ok 41098
190: ok 41099
190: ok 41100
190: ok 41101
190: ok 41102
190: ok 41103
190: ok 41104
190: ok 41105
190: ok 41106
190: ok 41107
190: ok 41108
190: ok 41109
190: ok 41110
190: ok 41111
190: ok 41112
190: ok 41113
190: ok 41114
190: ok 41115
190: ok 41116
190: ok 41117
190: ok 41118
190: ok 41119
190: ok 41120
190: ok 41121
190: ok 41122
190: ok 41123
190: ok 41124
190: ok 41125
190: ok 41126
190: ok 41127
190: ok 41128
190: ok 41129
190: ok 41130
190: ok 41131
190: ok 41132
190: ok 41133
190: ok 41134
190: ok 41135
190: ok 41136
190: ok 41137
190: ok 41138
190: ok 41139
190: ok 41140
190: ok 41141
190: ok 41142
190: ok 41143
190: ok 41144
190: ok 41145
190: ok 41146
190: ok 41147
190: ok 41148
190: ok 41149
190: ok 41150
190: ok 41151
190: ok 41152
190: ok 41153
190: ok 41154
190: ok 41155
190: ok 41156
190: ok 41157
190: ok 41158
190: ok 41159
190: ok 41160
190: ok 41161
190: ok 41162
190: ok 41163
190: ok 41164
190: ok 41165
190: ok 41166
190: ok 41167
190: ok 41168
190: ok 41169
190: ok 41170
190: ok 41171
190: ok 41172
190: ok 41173
190: ok 41174
190: ok 41175
190: ok 41176
190: ok 41177
190: ok 41178
190: ok 41179
190: ok 41180
190: ok 41181
190: ok 41182
190: ok 41183
190: ok 41184
190: ok 41185
190: ok 41186
190: ok 41187
190: ok 41188
190: ok 41189
190: ok 41190
190: ok 41191
190: ok 41192
190: ok 41193
190: ok 41194
190: ok 41195
190: ok 41196
190: ok 41197
190: ok 41198
190: ok 41199
190: ok 41200
190: ok 41201
190: ok 41202
190: ok 41203
190: ok 41204
190: ok 41205
190: ok 41206
190: ok 41207
190: ok 41208
190: ok 41209
190: ok 41210
190: ok 41211
190: ok 41212
190: ok 41213
190: ok 41214
190: ok 41215
190: ok 41216
190: ok 41217
190: ok 41218
190: ok 41219
190: ok 41220
190: ok 41221
190: ok 41222
190: ok 41223
190: ok 41224
190: ok 41225
190: ok 41226
190: ok 41227
190: ok 41228
190: ok 41229
190: ok 41230
190: ok 41231
190: ok 41232
190: ok 41233
190: ok 41234
190: ok 41235
190: ok 41236
190: ok 41237
190: ok 41238
190: ok 41239
190: ok 41240
190: ok 41241
190: ok 41242
190: ok 41243
190: ok 41244
190: ok 41245
190: ok 41246
190: ok 41247
190: ok 41248
190: ok 41249
190: ok 41250
190: ok 41251
190: ok 41252
190: ok 41253
190: ok 41254
190: ok 41255
190: ok 41256
190: ok 41257
190: ok 41258
190: ok 41259
190: ok 41260
190: ok 41261
190: ok 41262
190: ok 41263
190: ok 41264
190: ok 41265
190: ok 41266
190: ok 41267
190: ok 41268
190: ok 41269
190: ok 41270
190: ok 41271
190: ok 41272
190: ok 41273
190: ok 41274
190: ok 41275
190: ok 41276
190: ok 41277
190: ok 41278
190: ok 41279
190: ok 41280
190: ok 41281
190: ok 41282
190: ok 41283
190: ok 41284
190: ok 41285
190: ok 41286
190: ok 41287
190: ok 41288
190: ok 41289
190: ok 41290
190: ok 41291
190: ok 41292
190: ok 41293
190: ok 41294
190: ok 41295
190: ok 41296
190: ok 41297
190: ok 41298
190: ok 41299
190: ok 41300
190: ok 41301
190: ok 41302
190: ok 41303
190: ok 41304
190: ok 41305
190: ok 41306
190: ok 41307
190: ok 41308
190: ok 41309
190: ok 41310
190: ok 41311
190: ok 41312
190: ok 41313
190: ok 41314
190: ok 41315
190: ok 41316
190: ok 41317
190: ok 41318
190: ok 41319
190: ok 41320
190: ok 41321
190: ok 41322
190: ok 41323
190: ok 41324
190: ok 41325
190: ok 41326
190: ok 41327
190: ok 41328
190: ok 41329
190: ok 41330
190: ok 41331
190: ok 41332
190: ok 41333
190: ok 41334
190: ok 41335
190: ok 41336
190: ok 41337
190: ok 41338
190: ok 41339
190: ok 41340
190: ok 41341
190: ok 41342
190: ok 41343
190: ok 41344
190: ok 41345
190: ok 41346
190: ok 41347
190: ok 41348
190: ok 41349
190: ok 41350
190: ok 41351
190: ok 41352
190: ok 41353
190: ok 41354
190: ok 41355
190: ok 41356
190: ok 41357
190: ok 41358
190: ok 41359
190: ok 41360
190: ok 41361
190: ok 41362
190: ok 41363
190: ok 41364
190: ok 41365
190: ok 41366
190: ok 41367
190: ok 41368
190: ok 41369
190: ok 41370
190: ok 41371
190: ok 41372
190: ok 41373
190: ok 41374
190: ok 41375
190: ok 41376
190: ok 41377
190: ok 41378
190: ok 41379
190: ok 41380
190: ok 41381
190: ok 41382
190: ok 41383
190: ok 41384
190: ok 41385
190: ok 41386
190: ok 41387
190: ok 41388
190: ok 41389
190: ok 41390
190: ok 41391
190: ok 41392
190: ok 41393
190: ok 41394
190: ok 41395
190: ok 41396
190: ok 41397
190: ok 41398
190: ok 41399
190: ok 41400
190: ok 41401
190: ok 41402
190: ok 41403
190: ok 41404
190: ok 41405
190: ok 41406
190: ok 41407
190: ok 41408
190: ok 41409
190: ok 41410
190: ok 41411
190: ok 41412
190: ok 41413
190: ok 41414
190: ok 41415
190: ok 41416
190: ok 41417
190: ok 41418
190: ok 41419
190: ok 41420
190: ok 41421
190: ok 41422
190: ok 41423
190: ok 41424
190: ok 41425
190: ok 41426
190: ok 41427
190: ok 41428
190: ok 41429
190: ok 41430
190: ok 41431
190: ok 41432
190: ok 41433
190: ok 41434
190: ok 41435
190: ok 41436
190: ok 41437
190: ok 41438
190: ok 41439
190: ok 41440
190: ok 41441
190: ok 41442
190: ok 41443
190: ok 41444
190: ok 41445
190: ok 41446
190: ok 41447
190: ok 41448
190: ok 41449
190: ok 41450
190: ok 41451
190: ok 41452
190: ok 41453
190: ok 41454
190: ok 41455
190: ok 41456
190: ok 41457
190: ok 41458
190: ok 41459
190: ok 41460
190: ok 41461
190: ok 41462
190: ok 41463
190: ok 41464
190: ok 41465
190: ok 41466
190: ok 41467
190: ok 41468
190: ok 41469
190: ok 41470
190: ok 41471
190: ok 41472
190: ok 41473
190: ok 41474
190: ok 41475
190: ok 41476
190: ok 41477
190: ok 41478
190: ok 41479
190: ok 41480
190: ok 41481
190: ok 41482
190: ok 41483
190: ok 41484
190: ok 41485
190: ok 41486
190: ok 41487
190: ok 41488
190: ok 41489
190: ok 41490
190: ok 41491
190: ok 41492
190: ok 41493
190: ok 41494
190: ok 41495
190: ok 41496
190: ok 41497
190: ok 41498
190: ok 41499
190: ok 41500
190: ok 41501
190: ok 41502
190: ok 41503
190: ok 41504
190: ok 41505
190: ok 41506
190: ok 41507
190: ok 41508
190: ok 41509
190: ok 41510
190: ok 41511
190: ok 41512
190: ok 41513
190: ok 41514
190: ok 41515
190: ok 41516
190: ok 41517
190: ok 41518
190: ok 41519
190: ok 41520
190: ok 41521
190: ok 41522
190: ok 41523
190: ok 41524
190: ok 41525
190: ok 41526
190: ok 41527
190: ok 41528
190: ok 41529
190: ok 41530
190: ok 41531
190: ok 41532
190: ok 41533
190: ok 41534
190: ok 41535
190: ok 41536
190: ok 41537
190: ok 41538
190: ok 41539
190: ok 41540
190: ok 41541
190: ok 41542
190: ok 41543
190: ok 41544
190: ok 41545
190: ok 41546
190: ok 41547
190: ok 41548
190: ok 41549
190: ok 41550
190: ok 41551
190: ok 41552
190: ok 41553
190: ok 41554
190: ok 41555
190: ok 41556
190: ok 41557
190: ok 41558
190: ok 41559
190: ok 41560
190: ok 41561
190: ok 41562
190: ok 41563
190: ok 41564
190: ok 41565
190: ok 41566
190: ok 41567
190: ok 41568
190: ok 41569
190: ok 41570
190: ok 41571
190: ok 41572
190: ok 41573
190: ok 41574
190: ok 41575
190: ok 41576
190: ok 41577
190: ok 41578
190: ok 41579
190: ok 41580
190: ok 41581
190: ok 41582
190: ok 41583
190: ok 41584
190: ok 41585
190: ok 41586
190: ok 41587
190: ok 41588
190: ok 41589
190: ok 41590
190: ok 41591
190: ok 41592
190: ok 41593
190: ok 41594
190: ok 41595
190: ok 41596
190: ok 41597
190: ok 41598
190: ok 41599
190: ok 41600
190: ok 41601
190: ok 41602
190: ok 41603
190: ok 41604
190: ok 41605
190: ok 41606
190: ok 41607
190: ok 41608
190: ok 41609
190: ok 41610
190: ok 41611
190: ok 41612
190: ok 41613
190: ok 41614
190: ok 41615
190: ok 41616
190: ok 41617
190: ok 41618
190: ok 41619
190: ok 41620
190: ok 41621
190: ok 41622
190: ok 41623
190: ok 41624
190: ok 41625
190: ok 41626
190: ok 41627
190: ok 41628
190: ok 41629
190: ok 41630
190: ok 41631
190: ok 41632
190: ok 41633
190: ok 41634
190: ok 41635
190: ok 41636
190: ok 41637
190: ok 41638
190: ok 41639
190: ok 41640
190: ok 41641
190: ok 41642
190: ok 41643
190: ok 41644
190: ok 41645
190: ok 41646
190: ok 41647
190: ok 41648
190: ok 41649
190: ok 41650
190: ok 41651
190: ok 41652
190: ok 41653
190: ok 41654
190: ok 41655
190: ok 41656
190: ok 41657
190: ok 41658
190: ok 41659
190: ok 41660
190: ok 41661
190: ok 41662
190: ok 41663
190: ok 41664
190: ok 41665
190: ok 41666
190: ok 41667
190: ok 41668
190: ok 41669
190: ok 41670
190: ok 41671
190: ok 41672
190: ok 41673
190: ok 41674
190: ok 41675
190: ok 41676
190: ok 41677
190: ok 41678
190: ok 41679
190: ok 41680
190: ok 41681
190: ok 41682
190: ok 41683
190: ok 41684
190: ok 41685
190: ok 41686
190: ok 41687
190: ok 41688
190: ok 41689
190: ok 41690
190: ok 41691
190: ok 41692
190: ok 41693
190: ok 41694
190: ok 41695
190: ok 41696
190: ok 41697
190: ok 41698
190: ok 41699
190: ok 41700
190: ok 41701
190: ok 41702
190: ok 41703
190: ok 41704
190: ok 41705
190: ok 41706
190: ok 41707
190: ok 41708
190: ok 41709
190: ok 41710
190: ok 41711
190: ok 41712
190: ok 41713
190: ok 41714
190: ok 41715
190: ok 41716
190: ok 41717
190: ok 41718
190: ok 41719
190: ok 41720
190: ok 41721
190: ok 41722
190: ok 41723
190: ok 41724
190: ok 41725
190: ok 41726
190: ok 41727
190: ok 41728
190: ok 41729
190: ok 41730
190: ok 41731
190: ok 41732
190: ok 41733
190: ok 41734
190: ok 41735
190: ok 41736
190: ok 41737
190: ok 41738
190: ok 41739
190: ok 41740
190: ok 41741
190: ok 41742
190: ok 41743
190: ok 41744
190: ok 41745
190: ok 41746
190: ok 41747
190: ok 41748
190: ok 41749
190: ok 41750
190: ok 41751
190: ok 41752
190: ok 41753
190: ok 41754
190: ok 41755
190: ok 41756
190: ok 41757
190: ok 41758
190: ok 41759
190: ok 41760
190: ok 41761
190: ok 41762
190: ok 41763
190: ok 41764
190: ok 41765
190: ok 41766
190: ok 41767
190: ok 41768
190: ok 41769
190: ok 41770
190: ok 41771
190: ok 41772
190: ok 41773
190: ok 41774
190: ok 41775
190: ok 41776
190: ok 41777
190: ok 41778
190: ok 41779
190: ok 41780
190: ok 41781
190: ok 41782
190: ok 41783
190: ok 41784
190: ok 41785
190: ok 41786
190: ok 41787
190: ok 41788
190: ok 41789
190: ok 41790
190: ok 41791
190: ok 41792
190: ok 41793
190: ok 41794
190: ok 41795
190: ok 41796
190: ok 41797
190: ok 41798
190: ok 41799
190: ok 41800
190: ok 41801
190: ok 41802
190: ok 41803
190: ok 41804
190: ok 41805
190: ok 41806
190: ok 41807
190: ok 41808
190: ok 41809
190: ok 41810
190: ok 41811
190: ok 41812
190: ok 41813
190: ok 41814
190: ok 41815
190: ok 41816
190: ok 41817
190: ok 41818
190: ok 41819
190: ok 41820
190: ok 41821
190: ok 41822
190: ok 41823
190: ok 41824
190: ok 41825
190: ok 41826
190: ok 41827
190: ok 41828
190: ok 41829
190: ok 41830
190: ok 41831
190: ok 41832
190: ok 41833
190: ok 41834
190: ok 41835
190: ok 41836
190: ok 41837
190: ok 41838
190: ok 41839
190: ok 41840
190: ok 41841
190: ok 41842
190: ok 41843
190: ok 41844
190: ok 41845
190: ok 41846
190: ok 41847
190: ok 41848
190: ok 41849
190: ok 41850
190: ok 41851
190: ok 41852
190: ok 41853
190: ok 41854
190: ok 41855
190: ok 41856
190: ok 41857
190: ok 41858
190: ok 41859
190: ok 41860
190: ok 41861
190: ok 41862
190: ok 41863
190: ok 41864
190: ok 41865
190: ok 41866
190: ok 41867
190: ok 41868
190: ok 41869
190: ok 41870
190: ok 41871
190: ok 41872
190: ok 41873
190: ok 41874
190: ok 41875
190: ok 41876
190: ok 41877
190: ok 41878
190: ok 41879
190: ok 41880
190: ok 41881
190: ok 41882
190: ok 41883
190: ok 41884
190: ok 41885
190: ok 41886
190: ok 41887
190: ok 41888
190: ok 41889
190: ok 41890
190: ok 41891
190: ok 41892
190: ok 41893
190: ok 41894
190: ok 41895
190: ok 41896
190: ok 41897
190: ok 41898
190: ok 41899
190: ok 41900
190: ok 41901
190: ok 41902
190: ok 41903
190: ok 41904
190: ok 41905
190: ok 41906
190: ok 41907
190: ok 41908
190: ok 41909
190: ok 41910
190: ok 41911
190: ok 41912
190: ok 41913
190: ok 41914
190: ok 41915
190: ok 41916
190: ok 41917
190: ok 41918
190: ok 41919
190: ok 41920
190: ok 41921
190: ok 41922
190: ok 41923
190: ok 41924
190: ok 41925
190: ok 41926
190: ok 41927
190: ok 41928
190: ok 41929
190: ok 41930
190: ok 41931
190: ok 41932
190: ok 41933
190: ok 41934
190: ok 41935
190: ok 41936
190: ok 41937
190: ok 41938
190: ok 41939
190: ok 41940
190: ok 41941
190: ok 41942
190: ok 41943
190: ok 41944
190: ok 41945
190: ok 41946
190: ok 41947
190: ok 41948
190: ok 41949
190: ok 41950
190: ok 41951
190: ok 41952
190: ok 41953
190: ok 41954
190: ok 41955
190: ok 41956
190: ok 41957
190: ok 41958
190: ok 41959
190: ok 41960
190: ok 41961
190: ok 41962
190: ok 41963
190: ok 41964
190: ok 41965
190: ok 41966
190: ok 41967
190: ok 41968
190: ok 41969
190: ok 41970
190: ok 41971
190: ok 41972
190: ok 41973
190: ok 41974
190: ok 41975
190: ok 41976
190: ok 41977
190: ok 41978
190: ok 41979
190: ok 41980
190: ok 41981
190: ok 41982
190: ok 41983
190: ok 41984
190: ok 41985
190: ok 41986
190: ok 41987
190: ok 41988
190: ok 41989
190: ok 41990
190: ok 41991
190: ok 41992
190: ok 41993
190: ok 41994
190: ok 41995
190: ok 41996
190: ok 41997
190: ok 41998
190: ok 41999
190: ok 42000
190: ok 42001
190: ok 42002
190: ok 42003
190: ok 42004
190: ok 42005
190: ok 42006
190: ok 42007
190: ok 42008
190: ok 42009
190: ok 42010
190: ok 42011
190: ok 42012
190: ok 42013
190: ok 42014
190: ok 42015
190: ok 42016
190: ok 42017
190: ok 42018
190: ok 42019
190: ok 42020
190: ok 42021
190: ok 42022
190: ok 42023
190: ok 42024
190: ok 42025
190: ok 42026
190: ok 42027
190: ok 42028
190: ok 42029
190: ok 42030
190: ok 42031
190: ok 42032
190: ok 42033
190: ok 42034
190: ok 42035
190: ok 42036
190: ok 42037
190: ok 42038
190: ok 42039
190: ok 42040
190: ok 42041
190: ok 42042
190: ok 42043
190: ok 42044
190: ok 42045
190: ok 42046
190: ok 42047
190: ok 42048
190: ok 42049
190: ok 42050
190: ok 42051
190: ok 42052
190: ok 42053
190: ok 42054
190: ok 42055
190: ok 42056
190: ok 42057
190: ok 42058
190: ok 42059
190: ok 42060
190: ok 42061
190: ok 42062
190: ok 42063
190: ok 42064
190: ok 42065
190: ok 42066
190: ok 42067
190: ok 42068
190: ok 42069
190: ok 42070
190: ok 42071
190: ok 42072
190: ok 42073
190: ok 42074
190: ok 42075
190: ok 42076
190: ok 42077
190: ok 42078
190: ok 42079
190: ok 42080
190: ok 42081
190: ok 42082
190: ok 42083
190: ok 42084
190: ok 42085
190: ok 42086
190: ok 42087
190: ok 42088
190: ok 42089
190: ok 42090
190: ok 42091
190: ok 42092
190: ok 42093
190: ok 42094
190: ok 42095
190: ok 42096
190: ok 42097
190: ok 42098
190: ok 42099
190: ok 42100
190: ok 42101
190: ok 42102
190: ok 42103
190: ok 42104
190: ok 42105
190: ok 42106
190: ok 42107
190: ok 42108
190: ok 42109
190: ok 42110
190: ok 42111
190: ok 42112
190: ok 42113
190: ok 42114
190: ok 42115
190: ok 42116
190: ok 42117
190: ok 42118
190: ok 42119
190: ok 42120
190: ok 42121
190: ok 42122
190: ok 42123
190: ok 42124
190: ok 42125
190: ok 42126
190: ok 42127
190: ok 42128
190: ok 42129
190: ok 42130
190: ok 42131
190: ok 42132
190: ok 42133
190: ok 42134
190: ok 42135
190: ok 42136
190: ok 42137
190: ok 42138
190: ok 42139
190: ok 42140
190: ok 42141
190: ok 42142
190: ok 42143
190: ok 42144
190: ok 42145
190: ok 42146
190: ok 42147
190: ok 42148
190: ok 42149
190: ok 42150
190: ok 42151
190: ok 42152
190: ok 42153
190: ok 42154
190: ok 42155
190: ok 42156
190: ok 42157
190: ok 42158
190: ok 42159
190: ok 42160
190: ok 42161
190: ok 42162
190: ok 42163
190: ok 42164
190: ok 42165
190: ok 42166
190: ok 42167
190: ok 42168
190: ok 42169
190: ok 42170
190: ok 42171
190: ok 42172
190: ok 42173
190: ok 42174
190: ok 42175
190: ok 42176
190: ok 42177
190: ok 42178
190: ok 42179
190: ok 42180
190: ok 42181
190: ok 42182
190: ok 42183
190: ok 42184
190: ok 42185
190: ok 42186
190: ok 42187
190: ok 42188
190: ok 42189
190: ok 42190
190: ok 42191
190: ok 42192
190: ok 42193
190: ok 42194
190: ok 42195
190: ok 42196
190: ok 42197
190: ok 42198
190: ok 42199
190: ok 42200
190: ok 42201
190: ok 42202
190: ok 42203
190: ok 42204
190: ok 42205
190: ok 42206
190: ok 42207
190: ok 42208
190: ok 42209
190: ok 42210
190: ok 42211
190: ok 42212
190: ok 42213
190: ok 42214
190: ok 42215
190: ok 42216
190: ok 42217
190: ok 42218
190: ok 42219
190: ok 42220
190: ok 42221
190: ok 42222
190: ok 42223
190: ok 42224
190: ok 42225
190: ok 42226
190: ok 42227
190: ok 42228
190: ok 42229
190: ok 42230
190: ok 42231
190: ok 42232
190: ok 42233
190: ok 42234
190: ok 42235
190: ok 42236
190: ok 42237
190: ok 42238
190: ok 42239
190: ok 42240
190: ok 42241
190: ok 42242
190: ok 42243
190: ok 42244
190: ok 42245
190: ok 42246
190: ok 42247
190: ok 42248
190: ok 42249
190: ok 42250
190: ok 42251
190: ok 42252
190: ok 42253
190: ok 42254
190: ok 42255
190: ok 42256
190: ok 42257
190: ok 42258
190: ok 42259
190: ok 42260
190: ok 42261
190: ok 42262
190: ok 42263
190: ok 42264
190: ok 42265
190: ok 42266
190: ok 42267
190: ok 42268
190: ok 42269
190: ok 42270
190: ok 42271
190: ok 42272
190: ok 42273
190: ok 42274
190: ok 42275
190: ok 42276
190: ok 42277
190: ok 42278
190: ok 42279
190: ok 42280
190: ok 42281
190: ok 42282
190: ok 42283
190: ok 42284
190: ok 42285
190: ok 42286
190: ok 42287
190: ok 42288
190: ok 42289
190: ok 42290
190: ok 42291
190: ok 42292
190: ok 42293
190: ok 42294
190: ok 42295
190: ok 42296
190: ok 42297
190: ok 42298
190: ok 42299
190: ok 42300
190: ok 42301
190: ok 42302
190: ok 42303
190: ok 42304
190: ok 42305
190: ok 42306
190: ok 42307
190: ok 42308
190: ok 42309
190: ok 42310
190: ok 42311
190: ok 42312
190: ok 42313
190: ok 42314
190: ok 42315
190: ok 42316
190: ok 42317
190: ok 42318
190: ok 42319
190: ok 42320
190: ok 42321
190: ok 42322
190: ok 42323
190: ok 42324
190: ok 42325
190: ok 42326
190: ok 42327
190: ok 42328
190: ok 42329
190: ok 42330
190: ok 42331
190: ok 42332
190: ok 42333
190: ok 42334
190: ok 42335
190: ok 42336
190: ok 42337
190: ok 42338
190: ok 42339
190: ok 42340
190: ok 42341
190: ok 42342
190: ok 42343
190: ok 42344
190: ok 42345
190: ok 42346
190: ok 42347
190: ok 42348
190: ok 42349
190: ok 42350
190: ok 42351
190: ok 42352
190: ok 42353
190: ok 42354
190: ok 42355
190: ok 42356
190: ok 42357
190: ok 42358
190: ok 42359
190: ok 42360
190: ok 42361
190: ok 42362
190: ok 42363
190: ok 42364
190: ok 42365
190: ok 42366
190: ok 42367
190: ok 42368
190: ok 42369
190: ok 42370
190: ok 42371
190: ok 42372
190: ok 42373
190: ok 42374
190: ok 42375
190: ok 42376
190: ok 42377
190: ok 42378
190: ok 42379
190: ok 42380
190: ok 42381
190: ok 42382
190: ok 42383
190: ok 42384
190: ok 42385
190: ok 42386
190: ok 42387
190: ok 42388
190: ok 42389
190: ok 42390
190: ok 42391
190: ok 42392
190: ok 42393
190: ok 42394
190: ok 42395
190: ok 42396
190: ok 42397
190: ok 42398
190: ok 42399
190: ok 42400
190: ok 42401
190: ok 42402
190: ok 42403
190: ok 42404
190: ok 42405
190: ok 42406
190: ok 42407
190: ok 42408
190: ok 42409
190: ok 42410
190: ok 42411
190: ok 42412
190: ok 42413
190: ok 42414
190: ok 42415
190: ok 42416
190: ok 42417
190: ok 42418
190: ok 42419
190: ok 42420
190: ok 42421
190: ok 42422
190: ok 42423
190: ok 42424
190: ok 42425
190: ok 42426
190: ok 42427
190: ok 42428
190: ok 42429
190: ok 42430
190: ok 42431
190: ok 42432
190: ok 42433
190: ok 42434
190: ok 42435
190: ok 42436
190: ok 42437
190: ok 42438
190: ok 42439
190: ok 42440
190: ok 42441
190: ok 42442
190: ok 42443
190: ok 42444
190: ok 42445
190: ok 42446
190: ok 42447
190: ok 42448
190: ok 42449
190: ok 42450
190: ok 42451
190: ok 42452
190: ok 42453
190: ok 42454
190: ok 42455
190: ok 42456
190: ok 42457
190: ok 42458
190: ok 42459
190: ok 42460
190: ok 42461
190: ok 42462
190: ok 42463
190: ok 42464
190: ok 42465
190: ok 42466
190: ok 42467
190: ok 42468
190: ok 42469
190: ok 42470
190: ok 42471
190: ok 42472
190: ok 42473
190: ok 42474
190: ok 42475
190: ok 42476
190: ok 42477
190: ok 42478
190: ok 42479
190: ok 42480
190: ok 42481
190: ok 42482
190: ok 42483
190: ok 42484
190: ok 42485
190: ok 42486
190: ok 42487
190: ok 42488
190: ok 42489
190: ok 42490
190: ok 42491
190: ok 42492
190: ok 42493
190: ok 42494
190: ok 42495
190: ok 42496
190: ok 42497
190: ok 42498
190: ok 42499
190: ok 42500
190: ok 42501
190: ok 42502
190: ok 42503
190: ok 42504
190: ok 42505
190: ok 42506
190: ok 42507
190: ok 42508
190: ok 42509
190: ok 42510
190: ok 42511
190: ok 42512
190: ok 42513
190: ok 42514
190: ok 42515
190: ok 42516
190: ok 42517
190: ok 42518
190: ok 42519
190: ok 42520
190: ok 42521
190: ok 42522
190: ok 42523
190: ok 42524
190: ok 42525
190: ok 42526
190: ok 42527
190: ok 42528
190: ok 42529
190: ok 42530
190: ok 42531
190: ok 42532
190: ok 42533
190: ok 42534
190: ok 42535
190: ok 42536
190: ok 42537
190: ok 42538
190: ok 42539
190: ok 42540
190: ok 42541
190: ok 42542
190: ok 42543
190: ok 42544
190: ok 42545
190: ok 42546
190: ok 42547
190: ok 42548
190: ok 42549
190: ok 42550
190: ok 42551
190: ok 42552
190: ok 42553
190: ok 42554
190: ok 42555
190: ok 42556
190: ok 42557
190: ok 42558
190: ok 42559
190: ok 42560
190: ok 42561
190: ok 42562
190: ok 42563
190: ok 42564
190: ok 42565
190: ok 42566
190: ok 42567
190: ok 42568
190: ok 42569
190: ok 42570
190: ok 42571
190: ok 42572
190: ok 42573
190: ok 42574
190: ok 42575
190: ok 42576
190: ok 42577
190: ok 42578
190: ok 42579
190: ok 42580
190: ok 42581
190: ok 42582
190: ok 42583
190: ok 42584
190: ok 42585
190: ok 42586
190: ok 42587
190: ok 42588
190: ok 42589
190: ok 42590
190: ok 42591
190: ok 42592
190: ok 42593
190: ok 42594
190: ok 42595
190: ok 42596
190: ok 42597
190: ok 42598
190: ok 42599
190: ok 42600
190: ok 42601
190: ok 42602
190: ok 42603
190: ok 42604
190: ok 42605
190: ok 42606
190: ok 42607
190: ok 42608
190: ok 42609
190: ok 42610
190: ok 42611
190: ok 42612
190: ok 42613
190: ok 42614
190: ok 42615
190: ok 42616
190: ok 42617
190: ok 42618
190: ok 42619
190: ok 42620
190: ok 42621
190: ok 42622
190: ok 42623
190: ok 42624
190: ok 42625
190: ok 42626
190: ok 42627
190: ok 42628
190: ok 42629
190: ok 42630
190: ok 42631
190: ok 42632
190: ok 42633
190: ok 42634
190: ok 42635
190: ok 42636
190: ok 42637
190: ok 42638
190: ok 42639
190: ok 42640
190: ok 42641
190: ok 42642
190: ok 42643
190: ok 42644
190: ok 42645
190: ok 42646
190: ok 42647
190: ok 42648
190: ok 42649
190: ok 42650
190: ok 42651
190: ok 42652
190: ok 42653
190: ok 42654
190: ok 42655
190: ok 42656
190: ok 42657
190: ok 42658
190: ok 42659
190: ok 42660
190: ok 42661
190: ok 42662
190: ok 42663
190: ok 42664
190: ok 42665
190: ok 42666
190: ok 42667
190: ok 42668
190: ok 42669
190: ok 42670
190: ok 42671
190: ok 42672
190: ok 42673
190: ok 42674
190: ok 42675
190: ok 42676
190: ok 42677
190: ok 42678
190: ok 42679
190: ok 42680
190: ok 42681
190: ok 42682
190: ok 42683
190: ok 42684
190: ok 42685
190: ok 42686
190: ok 42687
190: ok 42688
190: ok 42689
190: ok 42690
190: ok 42691
190: ok 42692
190: ok 42693
190: ok 42694
190: ok 42695
190: ok 42696
190: ok 42697
190: ok 42698
190: ok 42699
190: ok 42700
190: ok 42701
190: ok 42702
190: ok 42703
190: ok 42704
190: ok 42705
190: ok 42706
190: ok 42707
190: ok 42708
190: ok 42709
190: ok 42710
190: ok 42711
190: ok 42712
190: ok 42713
190: ok 42714
190: ok 42715
190: ok 42716
190: ok 42717
190: ok 42718
190: ok 42719
190: ok 42720
190: ok 42721
190: ok 42722
190: ok 42723
190: ok 42724
190: ok 42725
190: ok 42726
190: ok 42727
190: ok 42728
190: ok 42729
190: ok 42730
190: ok 42731
190: ok 42732
190: ok 42733
190: ok 42734
190: ok 42735
190: ok 42736
190: ok 42737
190: ok 42738
190: ok 42739
190: ok 42740
190: ok 42741
190: ok 42742
190: ok 42743
190: ok 42744
190: ok 42745
190: ok 42746
190: ok 42747
190: ok 42748
190: ok 42749
190: ok 42750
190: ok 42751
190: ok 42752
190: ok 42753
190: ok 42754
190: ok 42755
190: ok 42756
190: ok 42757
190: ok 42758
190: ok 42759
190: ok 42760
190: ok 42761
190: ok 42762
190: ok 42763
190: ok 42764
190: ok 42765
190: ok 42766
190: ok 42767
190: ok 42768
190: ok 42769
190: ok 42770
190: ok 42771
190: ok 42772
190: ok 42773
190: ok 42774
190: ok 42775
190: ok 42776
190: ok 42777
190: ok 42778
190: ok 42779
190: ok 42780
190: ok 42781
190: ok 42782
190: ok 42783
190: ok 42784
190: ok 42785
190: ok 42786
190: ok 42787
190: ok 42788
190: ok 42789
190: ok 42790
190: ok 42791
190: ok 42792
190: ok 42793
190: ok 42794
190: ok 42795
190: ok 42796
190: ok 42797
190: ok 42798
190: ok 42799
190: ok 42800
190: ok 42801
190: ok 42802
190: ok 42803
190: ok 42804
190: ok 42805
190: ok 42806
190: ok 42807
190: ok 42808
190: ok 42809
190: ok 42810
190: ok 42811
190: ok 42812
190: ok 42813
190: ok 42814
190: ok 42815
190: ok 42816
190: ok 42817
190: ok 42818
190: ok 42819
190: ok 42820
190: ok 42821
190: ok 42822
190: ok 42823
190: ok 42824
190: ok 42825
190: ok 42826
190: ok 42827
190: ok 42828
190: ok 42829
190: ok 42830
190: ok 42831
190: ok 42832
190: ok 42833
190: ok 42834
190: ok 42835
190: ok 42836
190: ok 42837
190: ok 42838
190: ok 42839
190: ok 42840
190: ok 42841
190: ok 42842
190: ok 42843
190: ok 42844
190: ok 42845
190: ok 42846
190: ok 42847
190: ok 42848
190: ok 42849
190: ok 42850
190: ok 42851
190: ok 42852
190: ok 42853
190: ok 42854
190: ok 42855
190: ok 42856
190: ok 42857
190: ok 42858
190: ok 42859
190: ok 42860
190: ok 42861
190: ok 42862
190: ok 42863
190: ok 42864
190: ok 42865
190: ok 42866
190: ok 42867
190: ok 42868
190: ok 42869
190: ok 42870
190: ok 42871
190: ok 42872
190: ok 42873
190: ok 42874
190: ok 42875
190: ok 42876
190: ok 42877
190: ok 42878
190: ok 42879
190: ok 42880
190: ok 42881
190: ok 42882
190: ok 42883
190: ok 42884
190: ok 42885
190: ok 42886
190: ok 42887
190: ok 42888
190: ok 42889
190: ok 42890
190: ok 42891
190: ok 42892
190: ok 42893
190: ok 42894
190: ok 42895
190: ok 42896
190: ok 42897
190: ok 42898
190: ok 42899
190: ok 42900
190: ok 42901
190: ok 42902
190: ok 42903
190: ok 42904
190: ok 42905
190: ok 42906
190: ok 42907
190: ok 42908
190: ok 42909
190: ok 42910
190: ok 42911
190: ok 42912
190: ok 42913
190: ok 42914
190: ok 42915
190: ok 42916
190: ok 42917
190: ok 42918
190: ok 42919
190: ok 42920
190: ok 42921
190: ok 42922
190: ok 42923
190: ok 42924
190: ok 42925
190: ok 42926
190: ok 42927
190: ok 42928
190: ok 42929
190: ok 42930
190: ok 42931
190: ok 42932
190: ok 42933
190: ok 42934
190: ok 42935
190: ok 42936
190: ok 42937
190: ok 42938
190: ok 42939
190: ok 42940
190: ok 42941
190: ok 42942
190: ok 42943
190: ok 42944
190: ok 42945
190: ok 42946
190: ok 42947
190: ok 42948
190: ok 42949
190: ok 42950
190: ok 42951
190: ok 42952
190: ok 42953
190: ok 42954
190: ok 42955
190: ok 42956
190: ok 42957
190: ok 42958
190: ok 42959
190: ok 42960
190: ok 42961
190: ok 42962
190: ok 42963
190: ok 42964
190: ok 42965
190: ok 42966
190: ok 42967
190: ok 42968
190: ok 42969
190: ok 42970
190: ok 42971
190: ok 42972
190: ok 42973
190: ok 42974
190: ok 42975
190: ok 42976
190: ok 42977
190: ok 42978
190: ok 42979
190: ok 42980
190: ok 42981
190: ok 42982
190: ok 42983
190: ok 42984
190: ok 42985
190: ok 42986
190: ok 42987
190: ok 42988
190: ok 42989
190: ok 42990
190: ok 42991
190: ok 42992
190: ok 42993
190: ok 42994
190: ok 42995
190: ok 42996
190: ok 42997
190: ok 42998
190: ok 42999
190: ok 43000
190: ok 43001
190: ok 43002
190: ok 43003
190: ok 43004
190: ok 43005
190: ok 43006
190: ok 43007
190: ok 43008
190: ok 43009
190: ok 43010
190: ok 43011
190: ok 43012
190: ok 43013
190: ok 43014
190: ok 43015
190: ok 43016
190: ok 43017
190: ok 43018
190: ok 43019
190: ok 43020
190: ok 43021
190: ok 43022
190: ok 43023
190: ok 43024
190: ok 43025
190: ok 43026
190: ok 43027
190: ok 43028
190: ok 43029
190: ok 43030
190: ok 43031
190: ok 43032
190: ok 43033
190: ok 43034
190: ok 43035
190: ok 43036
190: ok 43037
190: ok 43038
190: ok 43039
190: ok 43040
190: ok 43041
190: ok 43042
190: ok 43043
190: ok 43044
190: ok 43045
190: ok 43046
190: ok 43047
190: ok 43048
190: ok 43049
190: ok 43050
190: ok 43051
190: ok 43052
190: ok 43053
190: ok 43054
190: ok 43055
190: ok 43056
190: ok 43057
190: ok 43058
190: ok 43059
190: ok 43060
190: ok 43061
190: ok 43062
190: ok 43063
190: ok 43064
190: ok 43065
190: ok 43066
190: ok 43067
190: ok 43068
190: ok 43069
190: ok 43070
190: ok 43071
190: ok 43072
190: ok 43073
190: ok 43074
190: ok 43075
190: ok 43076
190: ok 43077
190: ok 43078
190: ok 43079
190: ok 43080
190: ok 43081
190: ok 43082
190: ok 43083
190: ok 43084
190: ok 43085
190: ok 43086
190: ok 43087
190: ok 43088
190: ok 43089
190: ok 43090
190: ok 43091
190: ok 43092
190: ok 43093
190: ok 43094
190: ok 43095
190: ok 43096
190: ok 43097
190: ok 43098
190: ok 43099
190: ok 43100
190: ok 43101
190: ok 43102
190: ok 43103
190: ok 43104
190: ok 43105
190: ok 43106
190: ok 43107
190: ok 43108
190: ok 43109
190: ok 43110
190: ok 43111
190: ok 43112
190: ok 43113
190: ok 43114
190: ok 43115
190: ok 43116
190: ok 43117
190: ok 43118
190: ok 43119
190: ok 43120
190: ok 43121
190: ok 43122
190: ok 43123
190: ok 43124
190: ok 43125
190: ok 43126
190: ok 43127
190: ok 43128
190: ok 43129
190: ok 43130
190: ok 43131
190: ok 43132
190: ok 43133
190: ok 43134
190: ok 43135
190: ok 43136
190: ok 43137
190: ok 43138
190: ok 43139
190: ok 43140
190: ok 43141
190: ok 43142
190: ok 43143
190: ok 43144
190: ok 43145
190: ok 43146
190: ok 43147
190: ok 43148
190: ok 43149
190: ok 43150
190: ok 43151
190: ok 43152
190: ok 43153
190: ok 43154
190: ok 43155
190: ok 43156
190: ok 43157
190: ok 43158
190: ok 43159
190: ok 43160
190: ok 43161
190: ok 43162
190: ok 43163
190: ok 43164
190: ok 43165
190: ok 43166
190: ok 43167
190: ok 43168
190: ok 43169
190: ok 43170
190: ok 43171
190: ok 43172
190: ok 43173
190: ok 43174
190: ok 43175
190: ok 43176
190: ok 43177
190: ok 43178
190: ok 43179
190: ok 43180
190: ok 43181
190: ok 43182
190: ok 43183
190: ok 43184
190: ok 43185
190: ok 43186
190: ok 43187
190: ok 43188
190: ok 43189
190: ok 43190
190: ok 43191
190: ok 43192
190: ok 43193
190: ok 43194
190: ok 43195
190: ok 43196
190: ok 43197
190: ok 43198
190: ok 43199
190: ok 43200
190: ok 43201
190: ok 43202
190: ok 43203
190: ok 43204
190: ok 43205
190: ok 43206
190: ok 43207
190: ok 43208
190: ok 43209
190: ok 43210
190: ok 43211
190: ok 43212
190: ok 43213
190: ok 43214
190: ok 43215
190: ok 43216
190: ok 43217
190: ok 43218
190: ok 43219
190: ok 43220
190: ok 43221
190: ok 43222
190: ok 43223
190: ok 43224
190: ok 43225
190: ok 43226
190: ok 43227
190: ok 43228
190: ok 43229
190: ok 43230
190: ok 43231
190: ok 43232
190: ok 43233
190: ok 43234
190: ok 43235
190: ok 43236
190: ok 43237
190: ok 43238
190: ok 43239
190: ok 43240
190: ok 43241
190: ok 43242
190: ok 43243
190: ok 43244
190: ok 43245
190: ok 43246
190: ok 43247
190: ok 43248
190: ok 43249
190: ok 43250
190: ok 43251
190: ok 43252
190: ok 43253
190: ok 43254
190: ok 43255
190: ok 43256
190: ok 43257
190: ok 43258
190: ok 43259
190: ok 43260
190: ok 43261
190: ok 43262
190: ok 43263
190: ok 43264
190: ok 43265
190: ok 43266
190: ok 43267
190: ok 43268
190: ok 43269
190: ok 43270
190: ok 43271
190: ok 43272
190: ok 43273
190: ok 43274
190: ok 43275
190: ok 43276
190: ok 43277
190: ok 43278
190: ok 43279
190: ok 43280
190: ok 43281
190: ok 43282
190: ok 43283
190: ok 43284
190: ok 43285
190: ok 43286
190: ok 43287
190: ok 43288
190: ok 43289
190: ok 43290
190: ok 43291
190: ok 43292
190: ok 43293
190: ok 43294
190: ok 43295
190: ok 43296
190: ok 43297
190: ok 43298
190: ok 43299
190: ok 43300
190: ok 43301
190: ok 43302
190: ok 43303
190: ok 43304
190: ok 43305
190: ok 43306
190: ok 43307
190: ok 43308
190: ok 43309
190: ok 43310
190: ok 43311
190: ok 43312
190: ok 43313
190: ok 43314
190: ok 43315
190: ok 43316
190: ok 43317
190: ok 43318
190: ok 43319
190: ok 43320
190: ok 43321
190: ok 43322
190: ok 43323
190: ok 43324
190: ok 43325
190: ok 43326
190: ok 43327
190: ok 43328
190: ok 43329
190: ok 43330
190: ok 43331
190: ok 43332
190: ok 43333
190: ok 43334
190: ok 43335
190: ok 43336
190: ok 43337
190: ok 43338
190: ok 43339
190: ok 43340
190: ok 43341
190: ok 43342
190: ok 43343
190: ok 43344
190: ok 43345
190: ok 43346
190: ok 43347
190: ok 43348
190: ok 43349
190: ok 43350
190: ok 43351
190: ok 43352
190: ok 43353
190: ok 43354
190: ok 43355
190: ok 43356
190: ok 43357
190: ok 43358
190: ok 43359
190: ok 43360
190: ok 43361
190: ok 43362
190: ok 43363
190: ok 43364
190: ok 43365
190: ok 43366
190: ok 43367
190: ok 43368
190: ok 43369
190: ok 43370
190: ok 43371
190: ok 43372
190: ok 43373
190: ok 43374
190: ok 43375
190: ok 43376
190: ok 43377
190: ok 43378
190: ok 43379
190: ok 43380
190: ok 43381
190: ok 43382
190: ok 43383
190: ok 43384
190: ok 43385
190: ok 43386
190: ok 43387
190: ok 43388
190: ok 43389
190: ok 43390
190: ok 43391
190: ok 43392
190: ok 43393
190: ok 43394
190: ok 43395
190: ok 43396
190: ok 43397
190: ok 43398
190: ok 43399
190: ok 43400
190: ok 43401
190: ok 43402
190: ok 43403
190: ok 43404
190: ok 43405
190: ok 43406
190: ok 43407
190: ok 43408
190: ok 43409
190: ok 43410
190: ok 43411
190: ok 43412
190: ok 43413
190: ok 43414
190: ok 43415
190: ok 43416
190: ok 43417
190: ok 43418
190: ok 43419
190: ok 43420
190: ok 43421
190: ok 43422
190: ok 43423
190: ok 43424
190: ok 43425
190: ok 43426
190: ok 43427
190: ok 43428
190: ok 43429
190: ok 43430
190: ok 43431
190: ok 43432
190: ok 43433
190: ok 43434
190: ok 43435
190: ok 43436
190: ok 43437
190: ok 43438
190: ok 43439
190: ok 43440
190: ok 43441
190: ok 43442
190: ok 43443
190: ok 43444
190: ok 43445
190: ok 43446
190: ok 43447
190: ok 43448
190: ok 43449
190: ok 43450
190: ok 43451
190: ok 43452
190: ok 43453
190: ok 43454
190: ok 43455
190: ok 43456
190: ok 43457
190: ok 43458
190: ok 43459
190: ok 43460
190: ok 43461
190: ok 43462
190: ok 43463
190: ok 43464
190: ok 43465
190: ok 43466
190: ok 43467
190: ok 43468
190: ok 43469
190: ok 43470
190: ok 43471
190: ok 43472
190: ok 43473
190: ok 43474
190: ok 43475
190: ok 43476
190: ok 43477
190: ok 43478
190: ok 43479
190: ok 43480
190: ok 43481
190: ok 43482
190: ok 43483
190: ok 43484
190: ok 43485
190: ok 43486
190: ok 43487
190: ok 43488
190: ok 43489
190: ok 43490
190: ok 43491
190: ok 43492
190: ok 43493
190: ok 43494
190: ok 43495
190: ok 43496
190: ok 43497
190: ok 43498
190: ok 43499
190: ok 43500
190: ok 43501
190: ok 43502
190: ok 43503
190: ok 43504
190: ok 43505
190: ok 43506
190: ok 43507
190: ok 43508
190: ok 43509
190: ok 43510
190: ok 43511
190: ok 43512
190: ok 43513
190: ok 43514
190: ok 43515
190: ok 43516
190: ok 43517
190: ok 43518
190: ok 43519
190: ok 43520
190: ok 43521
190: ok 43522
190: ok 43523
190: ok 43524
190: ok 43525
190: ok 43526
190: ok 43527
190: ok 43528
190: ok 43529
190: ok 43530
190: ok 43531
190: ok 43532
190: ok 43533
190: ok 43534
190: ok 43535
190: ok 43536
190: ok 43537
190: ok 43538
190: ok 43539
190: ok 43540
190: ok 43541
190: ok 43542
190: ok 43543
190: ok 43544
190: ok 43545
190: ok 43546
190: ok 43547
190: ok 43548
190: ok 43549
190: ok 43550
190: ok 43551
190: ok 43552
190: ok 43553
190: ok 43554
190: ok 43555
190: ok 43556
190: ok 43557
190: ok 43558
190: ok 43559
190: ok 43560
190: ok 43561
190: ok 43562
190: ok 43563
190: ok 43564
190: ok 43565
190: ok 43566
190: ok 43567
190: ok 43568
190: ok 43569
190: ok 43570
190: ok 43571
190: ok 43572
190: ok 43573
190: ok 43574
190: ok 43575
190: ok 43576
190: ok 43577
190: ok 43578
190: ok 43579
190: ok 43580
190: ok 43581
190: ok 43582
190: ok 43583
190: ok 43584
190: ok 43585
190: ok 43586
190: ok 43587
190: ok 43588
190: ok 43589
190: ok 43590
190: ok 43591
190: ok 43592
190: ok 43593
190: ok 43594
190: ok 43595
190: ok 43596
190: ok 43597
190: ok 43598
190: ok 43599
190: ok 43600
190: ok 43601
190: ok 43602
190: ok 43603
190: ok 43604
190: ok 43605
190: ok 43606
190: ok 43607
190: ok 43608
190: ok 43609
190: ok 43610
190: ok 43611
190: ok 43612
190: ok 43613
190: ok 43614
190: ok 43615
190: ok 43616
190: ok 43617
190: ok 43618
190: ok 43619
190: ok 43620
190: ok 43621
190: ok 43622
190: ok 43623
190: ok 43624
190: ok 43625
190: ok 43626
190: ok 43627
190: ok 43628
190: ok 43629
190: ok 43630
190: ok 43631
190: ok 43632
190: ok 43633
190: ok 43634
190: ok 43635
190: ok 43636
190: ok 43637
190: ok 43638
190: ok 43639
190: ok 43640
190: ok 43641
190: ok 43642
190: ok 43643
190: ok 43644
190: ok 43645
190: ok 43646
190: ok 43647
190: ok 43648
190: ok 43649
190: ok 43650
190: ok 43651
190: ok 43652
190: ok 43653
190: ok 43654
190: ok 43655
190: ok 43656
190: ok 43657
190: ok 43658
190: ok 43659
190: ok 43660
190: ok 43661
190: ok 43662
190: ok 43663
190: ok 43664
190: ok 43665
190: ok 43666
190: ok 43667
190: ok 43668
190: ok 43669
190: ok 43670
190: ok 43671
190: ok 43672
190: ok 43673
190: ok 43674
190: ok 43675
190: ok 43676
190: ok 43677
190: ok 43678
190: ok 43679
190: ok 43680
190: ok 43681
190: ok 43682
190: ok 43683
190: ok 43684
190: ok 43685
190: ok 43686
190: ok 43687
190: ok 43688
190: ok 43689
190: ok 43690
190: ok 43691
190: ok 43692
190: ok 43693
190: ok 43694
190: ok 43695
190: ok 43696
190: ok 43697
190: ok 43698
190: ok 43699
190: ok 43700
190: ok 43701
190: ok 43702
190: ok 43703
190: ok 43704
190: ok 43705
190: ok 43706
190: ok 43707
190: ok 43708
190: ok 43709
190: ok 43710
190: ok 43711
190: ok 43712
190: ok 43713
190: ok 43714
190: ok 43715
190: ok 43716
190: ok 43717
190: ok 43718
190: ok 43719
190: ok 43720
190: ok 43721
190: ok 43722
190: ok 43723
190: ok 43724
190: ok 43725
190: ok 43726
190: ok 43727
190: ok 43728
190: ok 43729
190: ok 43730
190: ok 43731
190: ok 43732
190: ok 43733
190: ok 43734
190: ok 43735
190: ok 43736
190: ok 43737
190: ok 43738
190: ok 43739
190: ok 43740
190: ok 43741
190: ok 43742
190: ok 43743
190: ok 43744
190: ok 43745
190: ok 43746
190: ok 43747
190: ok 43748
190: ok 43749
190: ok 43750
190: ok 43751
190: ok 43752
190: ok 43753
190: ok 43754
190: ok 43755
190: ok 43756
190: ok 43757
190: ok 43758
190: ok 43759
190: ok 43760
190: ok 43761
190: ok 43762
190: ok 43763
190: ok 43764
190: ok 43765
190: ok 43766
190: ok 43767
190: ok 43768
190: ok 43769
190: ok 43770
190: ok 43771
190: ok 43772
190: ok 43773
190: ok 43774
190: ok 43775
190: ok 43776
190: ok 43777
190: ok 43778
190: ok 43779
190: ok 43780
190: ok 43781
190: ok 43782
190: ok 43783
190: ok 43784
190: ok 43785
190: ok 43786
190: ok 43787
190: ok 43788
190: ok 43789
190: ok 43790
190: ok 43791
190: ok 43792
190: ok 43793
190: ok 43794
190: ok 43795
190: ok 43796
190: ok 43797
190: ok 43798
190: ok 43799
190: ok 43800
190: ok 43801
190: ok 43802
190: ok 43803
190: ok 43804
190: ok 43805
190: ok 43806
190: ok 43807
190: ok 43808
190: ok 43809
190: ok 43810
190: ok 43811
190: ok 43812
190: ok 43813
190: ok 43814
190: ok 43815
190: ok 43816
190: ok 43817
190: ok 43818
190: ok 43819
190: ok 43820
190: ok 43821
190: ok 43822
190: ok 43823
190: ok 43824
190: ok 43825
190: ok 43826
190: ok 43827
190: ok 43828
190: ok 43829
190: ok 43830
190: ok 43831
190: ok 43832
190: ok 43833
190: ok 43834
190: ok 43835
190: ok 43836
190: ok 43837
190: ok 43838
190: ok 43839
190: ok 43840
190: ok 43841
190: ok 43842
190: ok 43843
190: ok 43844
190: ok 43845
190: ok 43846
190: ok 43847
190: ok 43848
190: ok 43849
190: ok 43850
190: ok 43851
190: ok 43852
190: ok 43853
190: ok 43854
190: ok 43855
190: ok 43856
190: ok 43857
190: ok 43858
190: ok 43859
190: ok 43860
190: ok 43861
190: ok 43862
190: ok 43863
190: ok 43864
190: ok 43865
190: ok 43866
190: ok 43867
190: ok 43868
190: ok 43869
190: ok 43870
190: ok 43871
190: ok 43872
190: ok 43873
190: ok 43874
190: ok 43875
190: ok 43876
190: ok 43877
190: ok 43878
190: ok 43879
190: ok 43880
190: ok 43881
190: ok 43882
190: ok 43883
190: ok 43884
190: ok 43885
190: ok 43886
190: ok 43887
190: ok 43888
190: ok 43889
190: ok 43890
190: ok 43891
190: ok 43892
190: ok 43893
190: ok 43894
190: ok 43895
190: ok 43896
190: ok 43897
190: ok 43898
190: ok 43899
190: ok 43900
190: ok 43901
190: ok 43902
190: ok 43903
190: ok 43904
190: ok 43905
190: ok 43906
190: ok 43907
190: ok 43908
190: ok 43909
190: ok 43910
190: ok 43911
190: ok 43912
190: ok 43913
190: ok 43914
190: ok 43915
190: ok 43916
190: ok 43917
190: ok 43918
190: ok 43919
190: ok 43920
190: ok 43921
190: ok 43922
190: ok 43923
190: ok 43924
190: ok 43925
190: ok 43926
190: ok 43927
190: ok 43928
190: ok 43929
190: ok 43930
190: ok 43931
190: ok 43932
190: ok 43933
190: ok 43934
190: ok 43935
190: ok 43936
190: ok 43937
190: ok 43938
190: ok 43939
190: ok 43940
190: ok 43941
190: ok 43942
190: ok 43943
190: ok 43944
190: ok 43945
190: ok 43946
190: ok 43947
190: ok 43948
190: ok 43949
190: ok 43950
190: ok 43951
190: ok 43952
190: ok 43953
190: ok 43954
190: ok 43955
190: ok 43956
190: ok 43957
190: ok 43958
190: ok 43959
190: ok 43960
190: ok 43961
190: ok 43962
190: ok 43963
190: ok 43964
190: ok 43965
190: ok 43966
190: ok 43967
190: ok 43968
190: ok 43969
190: ok 43970
190: ok 43971
190: ok 43972
190: ok 43973
190: ok 43974
190: ok 43975
190: ok 43976
190: ok 43977
190: ok 43978
190: ok 43979
190: ok 43980
190: ok 43981
190: ok 43982
190: ok 43983
190: ok 43984
190: ok 43985
190: ok 43986
190: ok 43987
190: ok 43988
190: ok 43989
190: ok 43990
190: ok 43991
190: ok 43992
190: ok 43993
190: ok 43994
190: ok 43995
190: ok 43996
190: ok 43997
190: ok 43998
190: ok 43999
190: ok 44000
190: ok 44001
190: ok 44002
190: ok 44003
190: ok 44004
190: ok 44005
190: ok 44006
190: ok 44007
190: ok 44008
190: ok 44009
190: ok 44010
190: ok 44011
190: ok 44012
190: ok 44013
190: ok 44014
190: ok 44015
190: ok 44016
190: ok 44017
190: ok 44018
190: ok 44019
190: ok 44020
190: ok 44021
190: ok 44022
190: ok 44023
190: ok 44024
190: ok 44025
190: ok 44026
190: ok 44027
190: ok 44028
190: ok 44029
190: ok 44030
190: ok 44031
190: ok 44032
190: ok 44033
190: ok 44034
190: ok 44035
190: ok 44036
190: ok 44037
190: ok 44038
190: ok 44039
190: ok 44040
190: ok 44041
190: ok 44042
190: ok 44043
190: ok 44044
190: ok 44045
190: ok 44046
190: ok 44047
190: ok 44048
190: ok 44049
190: ok 44050
190: ok 44051
190: ok 44052
190: ok 44053
190: ok 44054
190: ok 44055
190: ok 44056
190: ok 44057
190: ok 44058
190: ok 44059
190: ok 44060
190: ok 44061
190: ok 44062
190: ok 44063
190: ok 44064
190: ok 44065
190: ok 44066
190: ok 44067
190: ok 44068
190: ok 44069
190: ok 44070
190: ok 44071
190: ok 44072
190: ok 44073
190: ok 44074
190: ok 44075
190: ok 44076
190: ok 44077
190: ok 44078
190: ok 44079
190: ok 44080
190: ok 44081
190: ok 44082
190: ok 44083
190: ok 44084
190: ok 44085
190: ok 44086
190: ok 44087
190: ok 44088
190: ok 44089
190: ok 44090
190: ok 44091
190: ok 44092
190: ok 44093
190: ok 44094
190: ok 44095
190: ok 44096
190: ok 44097
190: ok 44098
190: ok 44099
190: ok 44100
190: ok 44101
190: ok 44102
190: ok 44103
190: ok 44104
190: ok 44105
190: ok 44106
190: ok 44107
190: ok 44108
190: ok 44109
190: ok 44110
190: ok 44111
190: ok 44112
190: ok 44113
190: ok 44114
190: ok 44115
190: ok 44116
190: ok 44117
190: ok 44118
190: ok 44119
190: ok 44120
190: ok 44121
190: ok 44122
190: ok 44123
190: ok 44124
190: ok 44125
190: ok 44126
190: ok 44127
190: ok 44128
190: ok 44129
190: ok 44130
190: ok 44131
190: ok 44132
190: ok 44133
190: ok 44134
190: ok 44135
190: ok 44136
190: ok 44137
190: ok 44138
190: ok 44139
190: ok 44140
190: ok 44141
190: ok 44142
190: ok 44143
190: ok 44144
190: ok 44145
190: ok 44146
190: ok 44147
190: ok 44148
190: ok 44149
190: ok 44150
190: ok 44151
190: ok 44152
190: ok 44153
190: ok 44154
190: ok 44155
190: ok 44156
190: ok 44157
190: ok 44158
190: ok 44159
190: ok 44160
190: ok 44161
190: ok 44162
190: ok 44163
190: ok 44164
190: ok 44165
190: ok 44166
190: ok 44167
190: ok 44168
190: ok 44169
190: ok 44170
190: ok 44171
190: ok 44172
190: ok 44173
190: ok 44174
190: ok 44175
190: ok 44176
190: ok 44177
190: ok 44178
190: ok 44179
190: ok 44180
190: ok 44181
190: ok 44182
190: ok 44183
190: ok 44184
190: ok 44185
190: ok 44186
190: ok 44187
190: ok 44188
190: ok 44189
190: ok 44190
190: ok 44191
190: ok 44192
190: ok 44193
190: ok 44194
190: ok 44195
190: ok 44196
190: ok 44197
190: ok 44198
190: ok 44199
190: ok 44200
190: ok 44201
190: ok 44202
190: ok 44203
190: ok 44204
190: ok 44205
190: ok 44206
190: ok 44207
190: ok 44208
190: ok 44209
190: ok 44210
190: ok 44211
190: ok 44212
190: ok 44213
190: ok 44214
190: ok 44215
190: ok 44216
190: ok 44217
190: ok 44218
190: ok 44219
190: ok 44220
190: ok 44221
190: ok 44222
190: ok 44223
190: ok 44224
190: ok 44225
190: ok 44226
190: ok 44227
190: ok 44228
190: ok 44229
190: ok 44230
190: ok 44231
190: ok 44232
190: ok 44233
190: ok 44234
190: ok 44235
190: ok 44236
190: ok 44237
190: ok 44238
190: ok 44239
190: ok 44240
190: ok 44241
190: ok 44242
190: ok 44243
190: ok 44244
190: ok 44245
190: ok 44246
190: ok 44247
190: ok 44248
190: ok 44249
190: ok 44250
190: ok 44251
190: ok 44252
190: ok 44253
190: ok 44254
190: ok 44255
190: ok 44256
190: ok 44257
190: ok 44258
190: ok 44259
190: ok 44260
190: ok 44261
190: ok 44262
190: ok 44263
190: ok 44264
190: ok 44265
190: ok 44266
190: ok 44267
190: ok 44268
190: ok 44269
190: ok 44270
190: ok 44271
190: ok 44272
190: ok 44273
190: ok 44274
190: ok 44275
190: ok 44276
190: ok 44277
190: ok 44278
190: ok 44279
190: ok 44280
190: ok 44281
190: ok 44282
190: ok 44283
190: ok 44284
190: ok 44285
190: ok 44286
190: ok 44287
190: ok 44288
190: ok 44289
190: ok 44290
190: ok 44291
190: ok 44292
190: ok 44293
190: ok 44294
190: ok 44295
190: ok 44296
190: ok 44297
190: ok 44298
190: ok 44299
190: ok 44300
190: ok 44301
190: ok 44302
190: ok 44303
190: ok 44304
190: ok 44305
190: ok 44306
190: ok 44307
190: ok 44308
190: ok 44309
190: ok 44310
190: ok 44311
190: ok 44312
190: ok 44313
190: ok 44314
190: ok 44315
190: ok 44316
190: ok 44317
190: ok 44318
190: ok 44319
190: ok 44320
190: ok 44321
190: ok 44322
190: ok 44323
190: ok 44324
190: ok 44325
190: ok 44326
190: ok 44327
190: ok 44328
190: ok 44329
190: ok 44330
190: ok 44331
190: ok 44332
190: ok 44333
190: ok 44334
190: ok 44335
190: ok 44336
190: ok 44337
190: ok 44338
190: ok 44339
190: ok 44340
190: ok 44341
190: ok 44342
190: ok 44343
190: ok 44344
190: ok 44345
190: ok 44346
190: ok 44347
190: ok 44348
190: ok 44349
190: ok 44350
190: ok 44351
190: ok 44352
190: ok 44353
190: ok 44354
190: ok 44355
190: ok 44356
190: ok 44357
190: ok 44358
190: ok 44359
190: ok 44360
190: ok 44361
190: ok 44362
190: ok 44363
190: ok 44364
190: ok 44365
190: ok 44366
190: ok 44367
190: ok 44368
190: ok 44369
190: ok 44370
190: ok 44371
190: ok 44372
190: ok 44373
190: ok 44374
190: ok 44375
190: ok 44376
190: ok 44377
190: ok 44378
190: ok 44379
190: ok 44380
190: ok 44381
190: ok 44382
190: ok 44383
190: ok 44384
190: ok 44385
190: ok 44386
190: ok 44387
190: ok 44388
190: ok 44389
190: ok 44390
190: ok 44391
190: ok 44392
190: ok 44393
190: ok 44394
190: ok 44395
190: ok 44396
190: ok 44397
190: ok 44398
190: ok 44399
190: ok 44400
190: ok 44401
190: ok 44402
190: ok 44403
190: ok 44404
190: ok 44405
190: ok 44406
190: ok 44407
190: ok 44408
190: ok 44409
190: ok 44410
190: ok 44411
190: ok 44412
190: ok 44413
190: ok 44414
190: ok 44415
190: ok 44416
190: ok 44417
190: ok 44418
190: ok 44419
190: ok 44420
190: ok 44421
190: ok 44422
190: ok 44423
190: ok 44424
190: ok 44425
190: ok 44426
190: ok 44427
190: ok 44428
190: ok 44429
190: ok 44430
190: ok 44431
190: ok 44432
190: ok 44433
190: ok 44434
190: ok 44435
190: ok 44436
190: ok 44437
190: ok 44438
190: ok 44439
190: ok 44440
190: ok 44441
190: ok 44442
190: ok 44443
190: ok 44444
190: ok 44445
190: ok 44446
190: ok 44447
190: ok 44448
190: ok 44449
190: ok 44450
190: ok 44451
190: ok 44452
190: ok 44453
190: ok 44454
190: ok 44455
190: ok 44456
190: ok 44457
190: ok 44458
190: ok 44459
190: ok 44460
190: ok 44461
190: ok 44462
190: ok 44463
190: ok 44464
190: ok 44465
190: ok 44466
190: ok 44467
190: ok 44468
190: ok 44469
190: ok 44470
190: ok 44471
190: ok 44472
190: ok 44473
190: ok 44474
190: ok 44475
190: ok 44476
190: ok 44477
190: ok 44478
190: ok 44479
190: ok 44480
190: ok 44481
190: ok 44482
190: ok 44483
190: ok 44484
190: ok 44485
190: ok 44486
190: ok 44487
190: ok 44488
190: ok 44489
190: ok 44490
190: ok 44491
190: ok 44492
190: ok 44493
190: ok 44494
190: ok 44495
190: ok 44496
190: ok 44497
190: ok 44498
190: ok 44499
190: ok 44500
190: ok 44501
190: ok 44502
190: ok 44503
190: ok 44504
190: ok 44505
190: ok 44506
190: ok 44507
190: ok 44508
190: ok 44509
190: ok 44510
190: ok 44511
190: ok 44512
190: ok 44513
190: ok 44514
190: ok 44515
190: ok 44516
190: ok 44517
190: ok 44518
190: ok 44519
190: ok 44520
190: ok 44521
190: ok 44522
190: ok 44523
190: ok 44524
190: ok 44525
190: ok 44526
190: ok 44527
190: ok 44528
190: ok 44529
190: ok 44530
190: ok 44531
190: ok 44532
190: ok 44533
190: ok 44534
190: ok 44535
190: ok 44536
190: ok 44537
190: ok 44538
190: ok 44539
190: ok 44540
190: ok 44541
190: ok 44542
190: ok 44543
190: ok 44544
190: ok 44545
190: ok 44546
190: ok 44547
190: ok 44548
190: ok 44549
190: ok 44550
190: ok 44551
190: ok 44552
190: ok 44553
190: ok 44554
190: ok 44555
190: ok 44556
190: ok 44557
190: ok 44558
190: ok 44559
190: ok 44560
190: ok 44561
190: ok 44562
190: ok 44563
190: ok 44564
190: ok 44565
190: ok 44566
190: ok 44567
190: ok 44568
190: ok 44569
190: ok 44570
190: ok 44571
190: ok 44572
190: ok 44573
190: ok 44574
190: ok 44575
190: ok 44576
190: ok 44577
190: ok 44578
190: ok 44579
190: ok 44580
190: ok 44581
190: ok 44582
190: ok 44583
190: ok 44584
190: ok 44585
190: ok 44586
190: ok 44587
190: ok 44588
190: ok 44589
190: ok 44590
190: ok 44591
190: ok 44592
190: ok 44593
190: ok 44594
190: ok 44595
190: ok 44596
190: ok 44597
190: ok 44598
190: ok 44599
190: ok 44600
190: ok 44601
190: ok 44602
190: ok 44603
190: ok 44604
190: ok 44605
190: ok 44606
190: ok 44607
190: ok 44608
190: ok 44609
190: ok 44610
190: ok 44611
190: ok 44612
190: ok 44613
190: ok 44614
190: ok 44615
190: ok 44616
190: ok 44617
190: ok 44618
190: ok 44619
190: ok 44620
190: ok 44621
190: ok 44622
190: ok 44623
190: ok 44624
190: ok 44625
190: ok 44626
190: ok 44627
190: ok 44628
190: ok 44629
190: ok 44630
190: ok 44631
190: ok 44632
190: ok 44633
190: ok 44634
190: ok 44635
190: ok 44636
190: ok 44637
190: ok 44638
190: ok 44639
190: ok 44640
190: ok 44641
190: ok 44642
190: ok 44643
190: ok 44644
190: ok 44645
190: ok 44646
190: ok 44647
190: ok 44648
190: ok 44649
190: ok 44650
190: ok 44651
190: ok 44652
190: ok 44653
190: ok 44654
190: ok 44655
190: ok 44656
190: ok 44657
190: ok 44658
190: ok 44659
190: ok 44660
190: ok 44661
190: ok 44662
190: ok 44663
190: ok 44664
190: ok 44665
190: ok 44666
190: ok 44667
190: ok 44668
190: ok 44669
190: ok 44670
190: ok 44671
190: ok 44672
190: ok 44673
190: ok 44674
190: ok 44675
190: ok 44676
190: ok 44677
190: ok 44678
190: ok 44679
190: ok 44680
190: ok 44681
190: ok 44682
190: ok 44683
190: ok 44684
190: ok 44685
190: ok 44686
190: ok 44687
190: ok 44688
190: ok 44689
190: ok 44690
190: ok 44691
190: ok 44692
190: ok 44693
190: ok 44694
190: ok 44695
190: ok 44696
190: ok 44697
190: ok 44698
190: ok 44699
190: ok 44700
190: ok 44701
190: ok 44702
190: ok 44703
190: ok 44704
190: ok 44705
190: ok 44706
190: ok 44707
190: ok 44708
190: ok 44709
190: ok 44710
190: ok 44711
190: ok 44712
190: ok 44713
190: ok 44714
190: ok 44715
190: ok 44716
190: ok 44717
190: ok 44718
190: ok 44719
190: ok 44720
190: ok 44721
190: ok 44722
190: ok 44723
190: ok 44724
190: ok 44725
190: ok 44726
190: ok 44727
190: ok 44728
190: ok 44729
190: ok 44730
190: ok 44731
190: ok 44732
190: ok 44733
190: ok 44734
190: ok 44735
190: ok 44736
190: ok 44737
190: ok 44738
190: ok 44739
190: ok 44740
190: ok 44741
190: ok 44742
190: ok 44743
190: ok 44744
190: ok 44745
190: ok 44746
190: ok 44747
190: ok 44748
190: ok 44749
190: ok 44750
190: ok 44751
190: ok 44752
190: ok 44753
190: ok 44754
190: ok 44755
190: ok 44756
190: ok 44757
190: ok 44758
190: ok 44759
190: ok 44760
190: ok 44761
190: ok 44762
190: ok 44763
190: ok 44764
190: ok 44765
190: ok 44766
190: ok 44767
190: ok 44768
190: ok 44769
190: ok 44770
190: ok 44771
190: ok 44772
190: ok 44773
190: ok 44774
190: ok 44775
190: ok 44776
190: ok 44777
190: ok 44778
190: ok 44779
190: ok 44780
190: ok 44781
190: ok 44782
190: ok 44783
190: ok 44784
190: ok 44785
190: ok 44786
190: ok 44787
190: ok 44788
190: ok 44789
190: ok 44790
190: ok 44791
190: ok 44792
190: ok 44793
190: ok 44794
190: ok 44795
190: ok 44796
190: ok 44797
190: ok 44798
190: ok 44799
190: ok 44800
190: ok 44801
190: ok 44802
190: ok 44803
190: ok 44804
190: ok 44805
190: ok 44806
190: ok 44807
190: ok 44808
190: ok 44809
190: ok 44810
190: ok 44811
190: ok 44812
190: ok 44813
190: ok 44814
190: ok 44815
190: ok 44816
190: ok 44817
190: ok 44818
190: ok 44819
190: ok 44820
190: ok 44821
190: ok 44822
190: ok 44823
190: ok 44824
190: ok 44825
190: ok 44826
190: ok 44827
190: ok 44828
190: ok 44829
190: ok 44830
190: ok 44831
190: ok 44832
190: ok 44833
190: ok 44834
190: ok 44835
190: ok 44836
190: ok 44837
190: ok 44838
190: ok 44839
190: ok 44840
190: ok 44841
190: ok 44842
190: ok 44843
190: ok 44844
190: ok 44845
190: ok 44846
190: ok 44847
190: ok 44848
190: ok 44849
190: ok 44850
190: ok 44851
190: ok 44852
190: ok 44853
190: ok 44854
190: ok 44855
190: ok 44856
190: ok 44857
190: ok 44858
190: ok 44859
190: ok 44860
190: ok 44861
190: ok 44862
190: ok 44863
190: ok 44864
190: ok 44865
190: ok 44866
190: ok 44867
190: ok 44868
190: ok 44869
190: ok 44870
190: ok 44871
190: ok 44872
190: ok 44873
190: ok 44874
190: ok 44875
190: ok 44876
190: ok 44877
190: ok 44878
190: ok 44879
190: ok 44880
190: ok 44881
190: ok 44882
190: ok 44883
190: ok 44884
190: ok 44885
190: ok 44886
190: ok 44887
190: ok 44888
190: ok 44889
190: ok 44890
190: ok 44891
190: ok 44892
190: ok 44893
190: ok 44894
190: ok 44895
190: ok 44896
190: ok 44897
190: ok 44898
190: ok 44899
190: ok 44900
190: ok 44901
190: ok 44902
190: ok 44903
190: ok 44904
190: ok 44905
190: ok 44906
190: ok 44907
190: ok 44908
190: ok 44909
190: ok 44910
190: ok 44911
190: ok 44912
190: ok 44913
190: ok 44914
190: ok 44915
190: ok 44916
190: ok 44917
190: ok 44918
190: ok 44919
190: ok 44920
190: ok 44921
190: ok 44922
190: ok 44923
190: ok 44924
190: ok 44925
190: ok 44926
190: ok 44927
190: ok 44928
190: ok 44929
190: ok 44930
190: ok 44931
190: ok 44932
190: ok 44933
190: ok 44934
190: ok 44935
190: ok 44936
190: ok 44937
190: ok 44938
190: ok 44939
190: ok 44940
190: ok 44941
190: ok 44942
190: ok 44943
190: ok 44944
190: ok 44945
190: ok 44946
190: ok 44947
190: ok 44948
190: ok 44949
190: ok 44950
190: ok 44951
190: ok 44952
190: ok 44953
190: ok 44954
190: ok 44955
190: ok 44956
190: ok 44957
190: ok 44958
190: ok 44959
190: ok 44960
190: ok 44961
190: ok 44962
190: ok 44963
190: ok 44964
190: ok 44965
190: ok 44966
190: ok 44967
190: ok 44968
190: ok 44969
190: ok 44970
190: ok 44971
190: ok 44972
190: ok 44973
190: ok 44974
190: ok 44975
190: ok 44976
190: ok 44977
190: ok 44978
190: ok 44979
190: ok 44980
190: ok 44981
190: ok 44982
190: ok 44983
190: ok 44984
190: ok 44985
190: ok 44986
190: ok 44987
190: ok 44988
190: ok 44989
190: ok 44990
190: ok 44991
190: ok 44992
190: ok 44993
190: ok 44994
190: ok 44995
190: ok 44996
190: ok 44997
190: ok 44998
190: ok 44999
190: ok 45000
190: ok 45001
190: ok 45002
190: ok 45003
190: ok 45004
190: ok 45005
190: ok 45006
190: ok 45007
190: ok 45008
190: ok 45009
190: ok 45010
190: ok 45011
190: ok 45012
190: ok 45013
190: ok 45014
190: ok 45015
190: ok 45016
190: ok 45017
190: ok 45018
190: ok 45019
190: ok 45020
190: ok 45021
190: ok 45022
190: ok 45023
190: ok 45024
190: ok 45025
190: ok 45026
190: ok 45027
190: ok 45028
190: ok 45029
190: ok 45030
190: ok 45031
190: ok 45032
190: ok 45033
190: ok 45034
190: ok 45035
190: ok 45036
190: ok 45037
190: ok 45038
190: ok 45039
190: ok 45040
190: ok 45041
190: ok 45042
190: ok 45043
190: ok 45044
190: ok 45045
190: ok 45046
190: ok 45047
190: ok 45048
190: ok 45049
190: ok 45050
190: ok 45051
190: ok 45052
190: ok 45053
190: ok 45054
190: ok 45055
190: ok 45056
190: ok 45057
190: ok 45058
190: ok 45059
190: ok 45060
190: ok 45061
190: ok 45062
190: ok 45063
190: ok 45064
190: ok 45065
190: ok 45066
190: ok 45067
190: ok 45068
190: ok 45069
190: ok 45070
190: ok 45071
190: ok 45072
190: ok 45073
190: ok 45074
190: ok 45075
190: ok 45076
190: ok 45077
190: ok 45078
190: ok 45079
190: ok 45080
190: ok 45081
190: ok 45082
190: ok 45083
190: ok 45084
190: ok 45085
190: ok 45086
190: ok 45087
190: ok 45088
190: ok 45089
190: ok 45090
190: ok 45091
190: ok 45092
190: ok 45093
190: ok 45094
190: ok 45095
190: ok 45096
190: ok 45097
190: ok 45098
190: ok 45099
190: ok 45100
190: ok 45101
190: ok 45102
190: ok 45103
190: ok 45104
190: ok 45105
190: ok 45106
190: ok 45107
190: ok 45108
190: ok 45109
190: ok 45110
190: ok 45111
190: ok 45112
190: ok 45113
190: ok 45114
190: ok 45115
190: ok 45116
190: ok 45117
190: ok 45118
190: ok 45119
190: ok 45120
190: ok 45121
190: ok 45122
190: ok 45123
190: ok 45124
190: ok 45125
190: ok 45126
190: ok 45127
190: ok 45128
190: ok 45129
190: ok 45130
190: ok 45131
190: ok 45132
190: ok 45133
190: ok 45134
190: ok 45135
190: ok 45136
190: ok 45137
190: ok 45138
190: ok 45139
190: ok 45140
190: ok 45141
190: ok 45142
190: ok 45143
190: ok 45144
190: ok 45145
190: ok 45146
190: ok 45147
190: ok 45148
190: ok 45149
190: ok 45150
190: ok 45151
190: ok 45152
190: ok 45153
190: ok 45154
190: ok 45155
190: ok 45156
190: ok 45157
190: ok 45158
190: ok 45159
190: ok 45160
190: ok 45161
190: ok 45162
190: ok 45163
190: ok 45164
190: ok 45165
190: ok 45166
190: ok 45167
190: ok 45168
190: ok 45169
190: ok 45170
190: ok 45171
190: ok 45172
190: ok 45173
190: ok 45174
190: ok 45175
190: ok 45176
190: ok 45177
190: ok 45178
190: ok 45179
190: ok 45180
190: ok 45181
190: ok 45182
190: ok 45183
190: ok 45184
190: ok 45185
190: ok 45186
190: ok 45187
190: ok 45188
190: ok 45189
190: ok 45190
190: ok 45191
190: ok 45192
190: ok 45193
190: ok 45194
190: ok 45195
190: ok 45196
190: ok 45197
190: ok 45198
190: ok 45199
190: ok 45200
190: ok 45201
190: ok 45202
190: ok 45203
190: ok 45204
190: ok 45205
190: ok 45206
190: ok 45207
190: ok 45208
190: ok 45209
190: ok 45210
190: ok 45211
190: ok 45212
190: ok 45213
190: ok 45214
190: ok 45215
190: ok 45216
190: ok 45217
190: ok 45218
190: ok 45219
190: ok 45220
190: ok 45221
190: ok 45222
190: ok 45223
190: ok 45224
190: ok 45225
190: ok 45226
190: ok 45227
190: ok 45228
190: ok 45229
190: ok 45230
190: ok 45231
190: ok 45232
190: ok 45233
190: ok 45234
190: ok 45235
190: ok 45236
190: ok 45237
190: ok 45238
190: ok 45239
190: ok 45240
190: ok 45241
190: ok 45242
190: ok 45243
190: ok 45244
190: ok 45245
190: ok 45246
190: ok 45247
190: ok 45248
190: ok 45249
190: ok 45250
190: ok 45251
190: ok 45252
190: ok 45253
190: ok 45254
190: ok 45255
190: ok 45256
190: ok 45257
190: ok 45258
190: ok 45259
190: ok 45260
190: ok 45261
190: ok 45262
190: ok 45263
190: ok 45264
190: ok 45265
190: ok 45266
190: ok 45267
190: ok 45268
190: ok 45269
190: ok 45270
190: ok 45271
190: ok 45272
190: ok 45273
190: ok 45274
190: ok 45275
190: ok 45276
190: ok 45277
190: ok 45278
190: ok 45279
190: ok 45280
190: ok 45281
190: ok 45282
190: ok 45283
190: ok 45284
190: ok 45285
190: ok 45286
190: ok 45287
190: ok 45288
190: ok 45289
190: ok 45290
190: ok 45291
190: ok 45292
190: ok 45293
190: ok 45294
190: ok 45295
190: ok 45296
190: ok 45297
190: ok 45298
190: ok 45299
190: ok 45300
190: ok 45301
190: ok 45302
190: ok 45303
190: ok 45304
190: ok 45305
190: ok 45306
190: ok 45307
190: ok 45308
190: ok 45309
190: ok 45310
190: ok 45311
190: ok 45312
190: ok 45313
190: ok 45314
190: ok 45315
190: ok 45316
190: ok 45317
190: ok 45318
190: ok 45319
190: ok 45320
190: ok 45321
190: ok 45322
190: ok 45323
190: ok 45324
190: ok 45325
190: ok 45326
190: ok 45327
190: ok 45328
190: ok 45329
190: ok 45330
190: ok 45331
190: ok 45332
190: ok 45333
190: ok 45334
190: ok 45335
190: ok 45336
190: ok 45337
190: ok 45338
190: ok 45339
190: ok 45340
190: ok 45341
190: ok 45342
190: ok 45343
190: ok 45344
190: ok 45345
190: ok 45346
190: ok 45347
190: ok 45348
190: ok 45349
190: ok 45350
190: ok 45351
190: ok 45352
190: ok 45353
190: ok 45354
190: ok 45355
190: ok 45356
190: ok 45357
190: ok 45358
190: ok 45359
190: ok 45360
190: ok 45361
190: ok 45362
190: ok 45363
190: ok 45364
190: ok 45365
190: ok 45366
190: ok 45367
190: ok 45368
190: ok 45369
190: ok 45370
190: ok 45371
190: ok 45372
190: ok 45373
190: ok 45374
190: ok 45375
190: ok 45376
190: ok 45377
190: ok 45378
190: ok 45379
190: ok 45380
190: ok 45381
190: ok 45382
190: ok 45383
190: ok 45384
190: ok 45385
190: ok 45386
190: ok 45387
190: ok 45388
190: ok 45389
190: ok 45390
190: ok 45391
190: ok 45392
190: ok 45393
190: ok 45394
190: ok 45395
190: ok 45396
190: ok 45397
190: ok 45398
190: ok 45399
190: ok 45400
190: ok 45401
190: ok 45402
190: ok 45403
190: ok 45404
190: ok 45405
190: ok 45406
190: ok 45407
190: ok 45408
190: ok 45409
190: ok 45410
190: ok 45411
190: ok 45412
190: ok 45413
190: ok 45414
190: ok 45415
190: ok 45416
190: ok 45417
190: ok 45418
190: ok 45419
190: ok 45420
190: ok 45421
190: ok 45422
190: ok 45423
190: ok 45424
190: ok 45425
190: ok 45426
190: ok 45427
190: ok 45428
190: ok 45429
190: ok 45430
190: ok 45431
190: ok 45432
190: ok 45433
190: ok 45434
190: ok 45435
190: ok 45436
190: ok 45437
190: ok 45438
190: ok 45439
190: ok 45440
190: ok 45441
190: ok 45442
190: ok 45443
190: ok 45444
190: ok 45445
190: ok 45446
190: ok 45447
190: ok 45448
190: ok 45449
190: ok 45450
190: ok 45451
190: ok 45452
190: ok 45453
190: ok 45454
190: ok 45455
190: ok 45456
190: ok 45457
190: ok 45458
190: ok 45459
190: ok 45460
190: ok 45461
190: ok 45462
190: ok 45463
190: ok 45464
190: ok 45465
190: ok 45466
190: ok 45467
190: ok 45468
190: ok 45469
190: ok 45470
190: ok 45471
190: ok 45472
190: ok 45473
190: ok 45474
190: ok 45475
190: ok 45476
190: ok 45477
190: ok 45478
190: ok 45479
190: ok 45480
190: ok 45481
190: ok 45482
190: ok 45483
190: ok 45484
190: ok 45485
190: ok 45486
190: ok 45487
190: ok 45488
190: ok 45489
190: ok 45490
190: ok 45491
190: ok 45492
190: ok 45493
190: ok 45494
190: ok 45495
190: ok 45496
190: ok 45497
190: ok 45498
190: ok 45499
190: ok 45500
190: ok 45501
190: ok 45502
190: ok 45503
190: ok 45504
190: ok 45505
190: ok 45506
190: ok 45507
190: ok 45508
190: ok 45509
190: ok 45510
190: ok 45511
190: ok 45512
190: ok 45513
190: ok 45514
190: ok 45515
190: ok 45516
190: ok 45517
190: ok 45518
190: ok 45519
190: ok 45520
190: ok 45521
190: ok 45522
190: ok 45523
190: ok 45524
190: ok 45525
190: ok 45526
190: ok 45527
190: ok 45528
190: ok 45529
190: ok 45530
190: ok 45531
190: ok 45532
190: ok 45533
190: ok 45534
190: ok 45535
190: ok 45536
190: ok 45537
190: ok 45538
190: ok 45539
190: ok 45540
190: ok 45541
190: ok 45542
190: ok 45543
190: ok 45544
190: ok 45545
190: ok 45546
190: ok 45547
190: ok 45548
190: ok 45549
190: ok 45550
190: ok 45551
190: ok 45552
190: ok 45553
190: ok 45554
190: ok 45555
190: ok 45556
190: ok 45557
190: ok 45558
190: ok 45559
190: ok 45560
190: ok 45561
190: ok 45562
190: ok 45563
190: ok 45564
190: ok 45565
190: ok 45566
190: ok 45567
190: ok 45568
190: ok 45569
190: ok 45570
190: ok 45571
190: ok 45572
190: ok 45573
190: ok 45574
190: ok 45575
190: ok 45576
190: ok 45577
190: ok 45578
190: ok 45579
190: ok 45580
190: ok 45581
190: ok 45582
190: ok 45583
190: ok 45584
190: ok 45585
190: ok 45586
190: ok 45587
190: ok 45588
190: ok 45589
190: ok 45590
190: ok 45591
190: ok 45592
190: ok 45593
190: ok 45594
190: ok 45595
190: ok 45596
190: ok 45597
190: ok 45598
190: ok 45599
190: ok 45600
190: ok 45601
190: ok 45602
190: ok 45603
190: ok 45604
190: ok 45605
190: ok 45606
190: ok 45607
190: ok 45608
190: ok 45609
190: ok 45610
190: ok 45611
190: ok 45612
190: ok 45613
190: ok 45614
190: ok 45615
190: ok 45616
190: ok 45617
190: ok 45618
190: ok 45619
190: ok 45620
190: ok 45621
190: ok 45622
190: ok 45623
190: ok 45624
190: ok 45625
190: ok 45626
190: ok 45627
190: ok 45628
190: ok 45629
190: ok 45630
190: ok 45631
190: ok 45632
190: ok 45633
190: ok 45634
190: ok 45635
190: ok 45636
190: ok 45637
190: ok 45638
190: ok 45639
190: ok 45640
190: ok 45641
190: ok 45642
190: ok 45643
190: ok 45644
190: ok 45645
190: ok 45646
190: ok 45647
190: ok 45648
190: ok 45649
190: ok 45650
190: ok 45651
190: ok 45652
190: ok 45653
190: ok 45654
190: ok 45655
190: ok 45656
190: ok 45657
190: ok 45658
190: ok 45659
190: ok 45660
190: ok 45661
190: ok 45662
190: ok 45663
190: ok 45664
190: ok 45665
190: ok 45666
190: ok 45667
190: ok 45668
190: ok 45669
190: ok 45670
190: ok 45671
190: ok 45672
190: ok 45673
190: ok 45674
190: ok 45675
190: ok 45676
190: ok 45677
190: ok 45678
190: ok 45679
190: ok 45680
190: ok 45681
190: ok 45682
190: ok 45683
190: ok 45684
190: ok 45685
190: ok 45686
190: ok 45687
190: ok 45688
190: ok 45689
190: ok 45690
190: ok 45691
190: ok 45692
190: ok 45693
190: ok 45694
190: ok 45695
190: ok 45696
190: ok 45697
190: ok 45698
190: ok 45699
190: ok 45700
190: ok 45701
190: ok 45702
190: ok 45703
190: ok 45704
190: ok 45705
190: ok 45706
190: ok 45707
190: ok 45708
190: ok 45709
190: ok 45710
190: ok 45711
190: ok 45712
190: ok 45713
190: ok 45714
190: ok 45715
190: ok 45716
190: ok 45717
190: ok 45718
190: ok 45719
190: ok 45720
190: ok 45721
190: ok 45722
190: ok 45723
190: ok 45724
190: ok 45725
190: ok 45726
190: ok 45727
190: ok 45728
190: ok 45729
190: ok 45730
190: ok 45731
190: ok 45732
190: ok 45733
190: ok 45734
190: ok 45735
190: ok 45736
190: ok 45737
190: ok 45738
190: ok 45739
190: ok 45740
190: ok 45741
190: ok 45742
190: ok 45743
190: ok 45744
190: ok 45745
190: ok 45746
190: ok 45747
190: ok 45748
190: ok 45749
190: ok 45750
190: ok 45751
190: ok 45752
190: ok 45753
190: ok 45754
190: ok 45755
190: ok 45756
190: ok 45757
190: ok 45758
190: ok 45759
190: ok 45760
190: ok 45761
190: ok 45762
190: ok 45763
190: ok 45764
190: ok 45765
190: ok 45766
190: ok 45767
190: ok 45768
190: ok 45769
190: ok 45770
190: ok 45771
190: ok 45772
190: ok 45773
190: ok 45774
190: ok 45775
190: ok 45776
190: ok 45777
190: ok 45778
190: ok 45779
190: ok 45780
190: ok 45781
190: ok 45782
190: ok 45783
190: ok 45784
190: ok 45785
190: ok 45786
190: ok 45787
190: ok 45788
190: ok 45789
190: ok 45790
190: ok 45791
190: ok 45792
190: ok 45793
190: ok 45794
190: ok 45795
190: ok 45796
190: ok 45797
190: ok 45798
190: ok 45799
190: ok 45800
190: ok 45801
190: ok 45802
190: ok 45803
190: ok 45804
190: ok 45805
190: ok 45806
190: ok 45807
190: ok 45808
190: ok 45809
190: ok 45810
190: ok 45811
190: ok 45812
190: ok 45813
190: ok 45814
190: ok 45815
190: ok 45816
190: ok 45817
190: ok 45818
190: ok 45819
190: ok 45820
190: ok 45821
190: ok 45822
190: ok 45823
190: ok 45824
190: ok 45825
190: ok 45826
190: ok 45827
190: ok 45828
190: ok 45829
190: ok 45830
190: ok 45831
190: ok 45832
190: ok 45833
190: ok 45834
190: ok 45835
190: ok 45836
190: ok 45837
190: ok 45838
190: ok 45839
190: ok 45840
190: ok 45841
190: ok 45842
190: ok 45843
190: ok 45844
190: ok 45845
190: ok 45846
190: ok 45847
190: ok 45848
190: ok 45849
190: ok 45850
190: ok 45851
190: ok 45852
190: ok 45853
190: ok 45854
190: ok 45855
190: ok 45856
190: ok 45857
190: ok 45858
190: ok 45859
190: ok 45860
190: ok 45861
190: ok 45862
190: ok 45863
190: ok 45864
190: ok 45865
190: ok 45866
190: ok 45867
190: ok 45868
190: ok 45869
190: ok 45870
190: ok 45871
190: ok 45872
190: ok 45873
190: ok 45874
190: ok 45875
190: ok 45876
190: ok 45877
190: ok 45878
190: ok 45879
190: ok 45880
190: ok 45881
190: ok 45882
190: ok 45883
190: ok 45884
190: ok 45885
190: ok 45886
190: ok 45887
190: ok 45888
190: ok 45889
190: ok 45890
190: ok 45891
190: ok 45892
190: ok 45893
190: ok 45894
190: ok 45895
190: ok 45896
190: ok 45897
190: ok 45898
190: ok 45899
190: ok 45900
190: ok 45901
190: ok 45902
190: ok 45903
190: ok 45904
190: ok 45905
190: ok 45906
190: ok 45907
190: ok 45908
190: ok 45909
190: ok 45910
190: ok 45911
190: ok 45912
190: ok 45913
190: ok 45914
190: ok 45915
190: ok 45916
190: ok 45917
190: ok 45918
190: ok 45919
190: ok 45920
190: ok 45921
190: ok 45922
190: ok 45923
190: ok 45924
190: ok 45925
190: ok 45926
190: ok 45927
190: ok 45928
190: ok 45929
190: ok 45930
190: ok 45931
190: ok 45932
190: ok 45933
190: ok 45934
190: ok 45935
190: ok 45936
190: ok 45937
190: ok 45938
190: ok 45939
190: ok 45940
190: ok 45941
190: ok 45942
190: ok 45943
190: ok 45944
190: ok 45945
190: ok 45946
190: ok 45947
190: ok 45948
190: ok 45949
190: ok 45950
190: ok 45951
190: ok 45952
190: ok 45953
190: ok 45954
190: ok 45955
190: ok 45956
190: ok 45957
190: ok 45958
190: ok 45959
190: ok 45960
190: ok 45961
190: ok 45962
190: ok 45963
190: ok 45964
190: ok 45965
190: ok 45966
190: ok 45967
190: ok 45968
190: ok 45969
190: ok 45970
190: ok 45971
190: ok 45972
190: ok 45973
190: ok 45974
190: ok 45975
190: ok 45976
190: ok 45977
190: ok 45978
190: ok 45979
190: ok 45980
190: ok 45981
190: ok 45982
190: ok 45983
190: ok 45984
190: ok 45985
190: ok 45986
190: ok 45987
190: ok 45988
190: ok 45989
190: ok 45990
190: ok 45991
190: ok 45992
190: ok 45993
190: ok 45994
190: ok 45995
190: ok 45996
190: ok 45997
190: ok 45998
190: ok 45999
190: ok 46000
190: # math: passed testBasics_matrix3x3
190: 1..46000
190: # math: all tests are successful
191: # math: repeating each test 1000 times
191: # Testing MMFF94 Force Field...
191: # math: entering testArithmeticOperators
191: ok 1
191: ok 2
191: ok 3
191: ok 4
191: ok 5
191: ok 6
191: ok 7
191: ok 8
191: ok 9
191: ok 10
191: ok 11
191: ok 12
191: ok 13
191: ok 14
191: ok 15
191: ok 16
191: ok 17
191: ok 18
191: ok 19
191: ok 20
191: ok 21
191: ok 22
191: ok 23
191: ok 24
191: ok 25
191: ok 26
191: ok 27
191: ok 28
191: ok 29
191: ok 30
191: ok 31
191: ok 32
191: ok 33
191: ok 34
191: ok 35
191: ok 36
191: ok 37
191: ok 38
191: ok 39
191: ok 40
191: ok 41
191: ok 42
191: ok 43
191: ok 44
191: ok 45
191: ok 46
191: ok 47
191: ok 48
191: ok 49
191: ok 50
191: ok 51
191: ok 52
191: ok 53
191: ok 54
191: ok 55
191: ok 56
191: ok 57
191: ok 58
191: ok 59
191: ok 60
191: ok 61
191: ok 62
191: ok 63
191: ok 64
191: ok 65
191: ok 66
191: ok 67
191: ok 68
191: ok 69
191: ok 70
191: ok 71
191: ok 72
191: ok 73
191: ok 74
191: ok 75
191: ok 76
191: ok 77
191: ok 78
191: ok 79
191: ok 80
191: ok 81
191: ok 82
191: ok 83
191: ok 84
191: ok 85
191: ok 86
191: ok 87
191: ok 88
191: ok 89
191: ok 90
191: ok 91
191: ok 92
191: ok 93
191: ok 94
191: ok 95
191: ok 96
191: ok 97
191: ok 98
191: ok 99
191: ok 100
191: ok 101
191: ok 102
191: ok 103
191: ok 104
191: ok 105
191: ok 106
191: ok 107
191: ok 108
191: ok 109
191: ok 110
191: ok 111
191: ok 112
191: ok 113
191: ok 114
191: ok 115
191: ok 116
191: ok 117
191: ok 118
191: ok 119
191: ok 120
191: ok 121
191: ok 122
191: ok 123
191: ok 124
191: ok 125
191: ok 126
191: ok 127
191: ok 128
191: ok 129
191: ok 130
191: ok 131
191: ok 132
191: ok 133
191: ok 134
191: ok 135
191: ok 136
191: ok 137
191: ok 138
191: ok 139
191: ok 140
191: ok 141
191: ok 142
191: ok 143
191: ok 144
191: ok 145
191: ok 146
191: ok 147
191: ok 148
191: ok 149
191: ok 150
191: ok 151
191: ok 152
191: ok 153
191: ok 154
191: ok 155
191: ok 156
191: ok 157
191: ok 158
191: ok 159
191: ok 160
191: ok 161
191: ok 162
191: ok 163
191: ok 164
191: ok 165
191: ok 166
191: ok 167
191: ok 168
191: ok 169
191: ok 170
191: ok 171
191: ok 172
191: ok 173
191: ok 174
191: ok 175
191: ok 176
191: ok 177
191: ok 178
191: ok 179
191: ok 180
191: ok 181
191: ok 182
191: ok 183
191: ok 184
191: ok 185
191: ok 186
191: ok 187
191: ok 188
191: ok 189
191: ok 190
191: ok 191
191: ok 192
191: ok 193
191: ok 194
191: ok 195
191: ok 196
191: ok 197
191: ok 198
191: ok 199
191: ok 200
191: ok 201
191: ok 202
191: ok 203
191: ok 204
191: ok 205
191: ok 206
191: ok 207
191: ok 208
191: ok 209
191: ok 210
191: ok 211
191: ok 212
191: ok 213
191: ok 214
191: ok 215
191: ok 216
191: ok 217
191: ok 218
191: ok 219
191: ok 220
191: ok 221
191: ok 222
191: ok 223
191: ok 224
191: ok 225
191: ok 226
191: ok 227
191: ok 228
191: ok 229
191: ok 230
191: ok 231
191: ok 232
191: ok 233
191: ok 234
191: ok 235
191: ok 236
191: ok 237
191: ok 238
191: ok 239
191: ok 240
191: ok 241
191: ok 242
191: ok 243
191: ok 244
191: ok 245
191: ok 246
191: ok 247
191: ok 248
191: ok 249
191: ok 250
191: ok 251
191: ok 252
191: ok 253
191: ok 254
191: ok 255
191: ok 256
191: ok 257
191: ok 258
191: ok 259
191: ok 260
191: ok 261
191: ok 262
191: ok 263
191: ok 264
191: ok 265
191: ok 266
191: ok 267
191: ok 268
191: ok 269
191: ok 270
191: ok 271
191: ok 272
191: ok 273
191: ok 274
191: ok 275
191: ok 276
191: ok 277
191: ok 278
191: ok 279
191: ok 280
191: ok 281
191: ok 282
191: ok 283
191: ok 284
191: ok 285
191: ok 286
191: ok 287
191: ok 288
191: ok 289
191: ok 290
191: ok 291
191: ok 292
191: ok 293
191: ok 294
191: ok 295
191: ok 296
191: ok 297
191: ok 298
191: ok 299
191: ok 300
191: ok 301
191: ok 302
191: ok 303
191: ok 304
191: ok 305
191: ok 306
191: ok 307
191: ok 308
191: ok 309
191: ok 310
191: ok 311
191: ok 312
191: ok 313
191: ok 314
191: ok 315
191: ok 316
191: ok 317
191: ok 318
191: ok 319
191: ok 320
191: ok 321
191: ok 322
191: ok 323
191: ok 324
191: ok 325
191: ok 326
191: ok 327
191: ok 328
191: ok 329
191: ok 330
191: ok 331
191: ok 332
191: ok 333
191: ok 334
191: ok 335
191: ok 336
191: ok 337
191: ok 338
191: ok 339
191: ok 340
191: ok 341
191: ok 342
191: ok 343
191: ok 344
191: ok 345
191: ok 346
191: ok 347
191: ok 348
191: ok 349
191: ok 350
191: ok 351
191: ok 352
191: ok 353
191: ok 354
191: ok 355
191: ok 356
191: ok 357
191: ok 358
191: ok 359
191: ok 360
191: ok 361
191: ok 362
191: ok 363
191: ok 364
191: ok 365
191: ok 366
191: ok 367
191: ok 368
191: ok 369
191: ok 370
191: ok 371
191: ok 372
191: ok 373
191: ok 374
191: ok 375
191: ok 376
191: ok 377
191: ok 378
191: ok 379
191: ok 380
191: ok 381
191: ok 382
191: ok 383
191: ok 384
191: ok 385
191: ok 386
191: ok 387
191: ok 388
191: ok 389
191: ok 390
191: ok 391
191: ok 392
191: ok 393
191: ok 394
191: ok 395
191: ok 396
191: ok 397
191: ok 398
191: ok 399
191: ok 400
191: ok 401
191: ok 402
191: ok 403
191: ok 404
191: ok 405
191: ok 406
191: ok 407
191: ok 408
191: ok 409
191: ok 410
191: ok 411
191: ok 412
191: ok 413
191: ok 414
191: ok 415
191: ok 416
191: ok 417
191: ok 418
191: ok 419
191: ok 420
191: ok 421
191: ok 422
191: ok 423
191: ok 424
191: ok 425
191: ok 426
191: ok 427
191: ok 428
191: ok 429
191: ok 430
191: ok 431
191: ok 432
191: ok 433
191: ok 434
191: ok 435
191: ok 436
191: ok 437
191: ok 438
191: ok 439
191: ok 440
191: ok 441
191: ok 442
191: ok 443
191: ok 444
191: ok 445
191: ok 446
191: ok 447
191: ok 448
191: ok 449
191: ok 450
191: ok 451
191: ok 452
191: ok 453
191: ok 454
191: ok 455
191: ok 456
191: ok 457
191: ok 458
191: ok 459
191: ok 460
191: ok 461
191: ok 462
191: ok 463
191: ok 464
191: ok 465
191: ok 466
191: ok 467
191: ok 468
191: ok 469
191: ok 470
191: ok 471
191: ok 472
191: ok 473
191: ok 474
191: ok 475
191: ok 476
191: ok 477
191: ok 478
191: ok 479
191: ok 480
191: ok 481
191: ok 482
191: ok 483
191: ok 484
191: ok 485
191: ok 486
191: ok 487
191: ok 488
191: ok 489
191: ok 490
191: ok 491
191: ok 492
191: ok 493
191: ok 494
191: ok 495
191: ok 496
191: ok 497
191: ok 498
191: ok 499
191: ok 500
191: ok 501
191: ok 502
191: ok 503
191: ok 504
191: ok 505
191: ok 506
191: ok 507
191: ok 508
191: ok 509
191: ok 510
191: ok 511
191: ok 512
191: ok 513
191: ok 514
191: ok 515
191: ok 516
191: ok 517
191: ok 518
191: ok 519
191: ok 520
191: ok 521
191: ok 522
191: ok 523
191: ok 524
191: ok 525
191: ok 526
191: ok 527
191: ok 528
191: ok 529
191: ok 530
191: ok 531
191: ok 532
191: ok 533
191: ok 534
191: ok 535
191: ok 536
191: ok 537
191: ok 538
191: ok 539
191: ok 540
191: ok 541
191: ok 542
191: ok 543
191: ok 544
191: ok 545
191: ok 546
191: ok 547
191: ok 548
191: ok 549
191: ok 550
191: ok 551
191: ok 552
191: ok 553
191: ok 554
191: ok 555
191: ok 556
191: ok 557
191: ok 558
191: ok 559
191: ok 560
191: ok 561
191: ok 562
191: ok 563
191: ok 564
191: ok 565
191: ok 566
191: ok 567
191: ok 568
191: ok 569
191: ok 570
191: ok 571
191: ok 572
191: ok 573
191: ok 574
191: ok 575
191: ok 576
191: ok 577
191: ok 578
191: ok 579
191: ok 580
191: ok 581
191: ok 582
191: ok 583
191: ok 584
191: ok 585
191: ok 586
191: ok 587
191: ok 588
191: ok 589
191: ok 590
191: ok 591
191: ok 592
191: ok 593
191: ok 594
191: ok 595
191: ok 596
191: ok 597
191: ok 598
191: ok 599
191: ok 600
191: ok 601
191: ok 602
191: ok 603
191: ok 604
191: ok 605
191: ok 606
191: ok 607
191: ok 608
191: ok 609
191: ok 610
191: ok 611
191: ok 612
191: ok 613
191: ok 614
191: ok 615
191: ok 616
191: ok 617
191: ok 618
191: ok 619
191: ok 620
191: ok 621
191: ok 622
191: ok 623
191: ok 624
191: ok 625
191: ok 626
191: ok 627
191: ok 628
191: ok 629
191: ok 630
191: ok 631
191: ok 632
191: ok 633
191: ok 634
191: ok 635
191: ok 636
191: ok 637
191: ok 638
191: ok 639
191: ok 640
191: ok 641
191: ok 642
191: ok 643
191: ok 644
191: ok 645
191: ok 646
191: ok 647
191: ok 648
191: ok 649
191: ok 650
191: ok 651
191: ok 652
191: ok 653
191: ok 654
191: ok 655
191: ok 656
191: ok 657
191: ok 658
191: ok 659
191: ok 660
191: ok 661
191: ok 662
191: ok 663
191: ok 664
191: ok 665
191: ok 666
191: ok 667
191: ok 668
191: ok 669
191: ok 670
191: ok 671
191: ok 672
191: ok 673
191: ok 674
191: ok 675
191: ok 676
191: ok 677
191: ok 678
191: ok 679
191: ok 680
191: ok 681
191: ok 682
191: ok 683
191: ok 684
191: ok 685
191: ok 686
191: ok 687
191: ok 688
191: ok 689
191: ok 690
191: ok 691
191: ok 692
191: ok 693
191: ok 694
191: ok 695
191: ok 696
191: ok 697
191: ok 698
191: ok 699
191: ok 700
191: ok 701
191: ok 702
191: ok 703
191: ok 704
191: ok 705
191: ok 706
191: ok 707
191: ok 708
191: ok 709
191: ok 710
191: ok 711
191: ok 712
191: ok 713
191: ok 714
191: ok 715
191: ok 716
191: ok 717
191: ok 718
191: ok 719
191: ok 720
191: ok 721
191: ok 722
191: ok 723
191: ok 724
191: ok 725
191: ok 726
191: ok 727
191: ok 728
191: ok 729
191: ok 730
191: ok 731
191: ok 732
191: ok 733
191: ok 734
191: ok 735
191: ok 736
191: ok 737
191: ok 738
191: ok 739
191: ok 740
191: ok 741
191: ok 742
191: ok 743
191: ok 744
191: ok 745
191: ok 746
191: ok 747
191: ok 748
191: ok 749
191: ok 750
191: ok 751
191: ok 752
191: ok 753
191: ok 754
191: ok 755
191: ok 756
191: ok 757
191: ok 758
191: ok 759
191: ok 760
191: ok 761
191: ok 762
191: ok 763
191: ok 764
191: ok 765
191: ok 766
191: ok 767
191: ok 768
191: ok 769
191: ok 770
191: ok 771
191: ok 772
191: ok 773
191: ok 774
191: ok 775
191: ok 776
191: ok 777
191: ok 778
191: ok 779
191: ok 780
191: ok 781
191: ok 782
191: ok 783
191: ok 784
191: ok 785
191: ok 786
191: ok 787
191: ok 788
191: ok 789
191: ok 790
191: ok 791
191: ok 792
191: ok 793
191: ok 794
191: ok 795
191: ok 796
191: ok 797
191: ok 798
191: ok 799
191: ok 800
191: ok 801
191: ok 802
191: ok 803
191: ok 804
191: ok 805
191: ok 806
191: ok 807
191: ok 808
191: ok 809
191: ok 810
191: ok 811
191: ok 812
191: ok 813
191: ok 814
191: ok 815
191: ok 816
191: ok 817
191: ok 818
191: ok 819
191: ok 820
191: ok 821
191: ok 822
191: ok 823
191: ok 824
191: ok 825
191: ok 826
191: ok 827
191: ok 828
191: ok 829
191: ok 830
191: ok 831
191: ok 832
191: ok 833
191: ok 834
191: ok 835
191: ok 836
191: ok 837
191: ok 838
191: ok 839
191: ok 840
191: ok 841
191: ok 842
191: ok 843
191: ok 844
191: ok 845
191: ok 846
191: ok 847
191: ok 848
191: ok 849
191: ok 850
191: ok 851
191: ok 852
191: ok 853
191: ok 854
191: ok 855
191: ok 856
191: ok 857
191: ok 858
191: ok 859
191: ok 860
191: ok 861
191: ok 862
191: ok 863
191: ok 864
191: ok 865
191: ok 866
191: ok 867
191: ok 868
191: ok 869
191: ok 870
191: ok 871
191: ok 872
191: ok 873
191: ok 874
191: ok 875
191: ok 876
191: ok 877
191: ok 878
191: ok 879
191: ok 880
191: ok 881
191: ok 882
191: ok 883
191: ok 884
191: ok 885
191: ok 886
191: ok 887
191: ok 888
191: ok 889
191: ok 890
191: ok 891
191: ok 892
191: ok 893
191: ok 894
191: ok 895
191: ok 896
191: ok 897
191: ok 898
191: ok 899
191: ok 900
191: ok 901
191: ok 902
191: ok 903
191: ok 904
191: ok 905
191: ok 906
191: ok 907
191: ok 908
191: ok 909
191: ok 910
191: ok 911
191: ok 912
191: ok 913
191: ok 914
191: ok 915
191: ok 916
191: ok 917
191: ok 918
191: ok 919
191: ok 920
191: ok 921
191: ok 922
191: ok 923
191: ok 924
191: ok 925
191: ok 926
191: ok 927
191: ok 928
191: ok 929
191: ok 930
191: ok 931
191: ok 932
191: ok 933
191: ok 934
191: ok 935
191: ok 936
191: ok 937
191: ok 938
191: ok 939
191: ok 940
191: ok 941
191: ok 942
191: ok 943
191: ok 944
191: ok 945
191: ok 946
191: ok 947
191: ok 948
191: ok 949
191: ok 950
191: ok 951
191: ok 952
191: ok 953
191: ok 954
191: ok 955
191: ok 956
191: ok 957
191: ok 958
191: ok 959
191: ok 960
191: ok 961
191: ok 962
191: ok 963
191: ok 964
191: ok 965
191: ok 966
191: ok 967
191: ok 968
191: ok 969
191: ok 970
191: ok 971
191: ok 972
191: ok 973
191: ok 974
191: ok 975
191: ok 976
191: ok 977
191: ok 978
191: ok 979
191: ok 980
191: ok 981
191: ok 982
191: ok 983
191: ok 984
191: ok 985
191: ok 986
191: ok 987
191: ok 988
191: ok 989
191: ok 990
191: ok 991
191: ok 992
191: ok 993
191: ok 994
191: ok 995
191: ok 996
191: ok 997
191: ok 998
191: ok 999
191: ok 1000
191: ok 1001
191: ok 1002
191: ok 1003
191: ok 1004
191: ok 1005
191: ok 1006
191: ok 1007
191: ok 1008
191: ok 1009
191: ok 1010
191: ok 1011
191: ok 1012
191: ok 1013
191: ok 1014
191: ok 1015
191: ok 1016
191: ok 1017
191: ok 1018
191: ok 1019
191: ok 1020
191: ok 1021
191: ok 1022
191: ok 1023
191: ok 1024
191: ok 1025
191: ok 1026
191: ok 1027
191: ok 1028
191: ok 1029
191: ok 1030
191: ok 1031
191: ok 1032
191: ok 1033
191: ok 1034
191: ok 1035
191: ok 1036
191: ok 1037
191: ok 1038
191: ok 1039
191: ok 1040
191: ok 1041
191: ok 1042
191: ok 1043
191: ok 1044
191: ok 1045
191: ok 1046
191: ok 1047
191: ok 1048
191: ok 1049
191: ok 1050
191: ok 1051
191: ok 1052
191: ok 1053
191: ok 1054
191: ok 1055
191: ok 1056
191: ok 1057
191: ok 1058
191: ok 1059
191: ok 1060
191: ok 1061
191: ok 1062
191: ok 1063
191: ok 1064
191: ok 1065
191: ok 1066
191: ok 1067
191: ok 1068
191: ok 1069
191: ok 1070
191: ok 1071
191: ok 1072
191: ok 1073
191: ok 1074
191: ok 1075
191: ok 1076
191: ok 1077
191: ok 1078
191: ok 1079
191: ok 1080
191: ok 1081
191: ok 1082
191: ok 1083
191: ok 1084
191: ok 1085
191: ok 1086
191: ok 1087
191: ok 1088
191: ok 1089
191: ok 1090
191: ok 1091
191: ok 1092
191: ok 1093
191: ok 1094
191: ok 1095
191: ok 1096
191: ok 1097
191: ok 1098
191: ok 1099
191: ok 1100
191: ok 1101
191: ok 1102
191: ok 1103
191: ok 1104
191: ok 1105
191: ok 1106
191: ok 1107
191: ok 1108
191: ok 1109
191: ok 1110
191: ok 1111
191: ok 1112
191: ok 1113
191: ok 1114
191: ok 1115
191: ok 1116
191: ok 1117
191: ok 1118
191: ok 1119
191: ok 1120
191: ok 1121
191: ok 1122
191: ok 1123
191: ok 1124
191: ok 1125
191: ok 1126
191: ok 1127
191: ok 1128
191: ok 1129
191: ok 1130
191: ok 1131
191: ok 1132
191: ok 1133
191: ok 1134
191: ok 1135
191: ok 1136
191: ok 1137
191: ok 1138
191: ok 1139
191: ok 1140
191: ok 1141
191: ok 1142
191: ok 1143
191: ok 1144
191: ok 1145
191: ok 1146
191: ok 1147
191: ok 1148
191: ok 1149
191: ok 1150
191: ok 1151
191: ok 1152
191: ok 1153
191: ok 1154
191: ok 1155
191: ok 1156
191: ok 1157
191: ok 1158
191: ok 1159
191: ok 1160
191: ok 1161
191: ok 1162
191: ok 1163
191: ok 1164
191: ok 1165
191: ok 1166
191: ok 1167
191: ok 1168
191: ok 1169
191: ok 1170
191: ok 1171
191: ok 1172
191: ok 1173
191: ok 1174
191: ok 1175
191: ok 1176
191: ok 1177
191: ok 1178
191: ok 1179
191: ok 1180
191: ok 1181
191: ok 1182
191: ok 1183
191: ok 1184
191: ok 1185
191: ok 1186
191: ok 1187
191: ok 1188
191: ok 1189
191: ok 1190
191: ok 1191
191: ok 1192
191: ok 1193
191: ok 1194
191: ok 1195
191: ok 1196
191: ok 1197
191: ok 1198
191: ok 1199
191: ok 1200
191: ok 1201
191: ok 1202
191: ok 1203
191: ok 1204
191: ok 1205
191: ok 1206
191: ok 1207
191: ok 1208
191: ok 1209
191: ok 1210
191: ok 1211
191: ok 1212
191: ok 1213
191: ok 1214
191: ok 1215
191: ok 1216
191: ok 1217
191: ok 1218
191: ok 1219
191: ok 1220
191: ok 1221
191: ok 1222
191: ok 1223
191: ok 1224
191: ok 1225
191: ok 1226
191: ok 1227
191: ok 1228
191: ok 1229
191: ok 1230
191: ok 1231
191: ok 1232
191: ok 1233
191: ok 1234
191: ok 1235
191: ok 1236
191: ok 1237
191: ok 1238
191: ok 1239
191: ok 1240
191: ok 1241
191: ok 1242
191: ok 1243
191: ok 1244
191: ok 1245
191: ok 1246
191: ok 1247
191: ok 1248
191: ok 1249
191: ok 1250
191: ok 1251
191: ok 1252
191: ok 1253
191: ok 1254
191: ok 1255
191: ok 1256
191: ok 1257
191: ok 1258
191: ok 1259
191: ok 1260
191: ok 1261
191: ok 1262
191: ok 1263
191: ok 1264
191: ok 1265
191: ok 1266
191: ok 1267
191: ok 1268
191: ok 1269
191: ok 1270
191: ok 1271
191: ok 1272
191: ok 1273
191: ok 1274
191: ok 1275
191: ok 1276
191: ok 1277
191: ok 1278
191: ok 1279
191: ok 1280
191: ok 1281
191: ok 1282
191: ok 1283
191: ok 1284
191: ok 1285
191: ok 1286
191: ok 1287
191: ok 1288
191: ok 1289
191: ok 1290
191: ok 1291
191: ok 1292
191: ok 1293
191: ok 1294
191: ok 1295
191: ok 1296
191: ok 1297
191: ok 1298
191: ok 1299
191: ok 1300
191: ok 1301
191: ok 1302
191: ok 1303
191: ok 1304
191: ok 1305
191: ok 1306
191: ok 1307
191: ok 1308
191: ok 1309
191: ok 1310
191: ok 1311
191: ok 1312
191: ok 1313
191: ok 1314
191: ok 1315
191: ok 1316
191: ok 1317
191: ok 1318
191: ok 1319
191: ok 1320
191: ok 1321
191: ok 1322
191: ok 1323
191: ok 1324
191: ok 1325
191: ok 1326
191: ok 1327
191: ok 1328
191: ok 1329
191: ok 1330
191: ok 1331
191: ok 1332
191: ok 1333
191: ok 1334
191: ok 1335
191: ok 1336
191: ok 1337
191: ok 1338
191: ok 1339
191: ok 1340
191: ok 1341
191: ok 1342
191: ok 1343
191: ok 1344
191: ok 1345
191: ok 1346
191: ok 1347
191: ok 1348
191: ok 1349
191: ok 1350
191: ok 1351
191: ok 1352
191: ok 1353
191: ok 1354
191: ok 1355
191: ok 1356
191: ok 1357
191: ok 1358
191: ok 1359
191: ok 1360
191: ok 1361
191: ok 1362
191: ok 1363
191: ok 1364
191: ok 1365
191: ok 1366
191: ok 1367
191: ok 1368
191: ok 1369
191: ok 1370
191: ok 1371
191: ok 1372
191: ok 1373
191: ok 1374
191: ok 1375
191: ok 1376
191: ok 1377
191: ok 1378
191: ok 1379
191: ok 1380
191: ok 1381
191: ok 1382
191: ok 1383
191: ok 1384
191: ok 1385
191: ok 1386
191: ok 1387
191: ok 1388
191: ok 1389
191: ok 1390
191: ok 1391
191: ok 1392
191: ok 1393
191: ok 1394
191: ok 1395
191: ok 1396
191: ok 1397
191: ok 1398
191: ok 1399
191: ok 1400
191: ok 1401
191: ok 1402
191: ok 1403
191: ok 1404
191: ok 1405
191: ok 1406
191: ok 1407
191: ok 1408
191: ok 1409
191: ok 1410
191: ok 1411
191: ok 1412
191: ok 1413
191: ok 1414
191: ok 1415
191: ok 1416
191: ok 1417
191: ok 1418
191: ok 1419
191: ok 1420
191: ok 1421
191: ok 1422
191: ok 1423
191: ok 1424
191: ok 1425
191: ok 1426
191: ok 1427
191: ok 1428
191: ok 1429
191: ok 1430
191: ok 1431
191: ok 1432
191: ok 1433
191: ok 1434
191: ok 1435
191: ok 1436
191: ok 1437
191: ok 1438
191: ok 1439
191: ok 1440
191: ok 1441
191: ok 1442
191: ok 1443
191: ok 1444
191: ok 1445
191: ok 1446
191: ok 1447
191: ok 1448
191: ok 1449
191: ok 1450
191: ok 1451
191: ok 1452
191: ok 1453
191: ok 1454
191: ok 1455
191: ok 1456
191: ok 1457
191: ok 1458
191: ok 1459
191: ok 1460
191: ok 1461
191: ok 1462
191: ok 1463
191: ok 1464
191: ok 1465
191: ok 1466
191: ok 1467
191: ok 1468
191: ok 1469
191: ok 1470
191: ok 1471
191: ok 1472
191: ok 1473
191: ok 1474
191: ok 1475
191: ok 1476
191: ok 1477
191: ok 1478
191: ok 1479
191: ok 1480
191: ok 1481
191: ok 1482
191: ok 1483
191: ok 1484
191: ok 1485
191: ok 1486
191: ok 1487
191: ok 1488
191: ok 1489
191: ok 1490
191: ok 1491
191: ok 1492
191: ok 1493
191: ok 1494
191: ok 1495
191: ok 1496
191: ok 1497
191: ok 1498
191: ok 1499
191: ok 1500
191: ok 1501
191: ok 1502
191: ok 1503
191: ok 1504
191: ok 1505
191: ok 1506
191: ok 1507
191: ok 1508
191: ok 1509
191: ok 1510
191: ok 1511
191: ok 1512
191: ok 1513
191: ok 1514
191: ok 1515
191: ok 1516
191: ok 1517
191: ok 1518
191: ok 1519
191: ok 1520
191: ok 1521
191: ok 1522
191: ok 1523
191: ok 1524
191: ok 1525
191: ok 1526
191: ok 1527
191: ok 1528
191: ok 1529
191: ok 1530
191: ok 1531
191: ok 1532
191: ok 1533
191: ok 1534
191: ok 1535
191: ok 1536
191: ok 1537
191: ok 1538
191: ok 1539
191: ok 1540
191: ok 1541
191: ok 1542
191: ok 1543
191: ok 1544
191: ok 1545
191: ok 1546
191: ok 1547
191: ok 1548
191: ok 1549
191: ok 1550
191: ok 1551
191: ok 1552
191: ok 1553
191: ok 1554
191: ok 1555
191: ok 1556
191: ok 1557
191: ok 1558
191: ok 1559
191: ok 1560
191: ok 1561
191: ok 1562
191: ok 1563
191: ok 1564
191: ok 1565
191: ok 1566
191: ok 1567
191: ok 1568
191: ok 1569
191: ok 1570
191: ok 1571
191: ok 1572
191: ok 1573
191: ok 1574
191: ok 1575
191: ok 1576
191: ok 1577
191: ok 1578
191: ok 1579
191: ok 1580
191: ok 1581
191: ok 1582
191: ok 1583
191: ok 1584
191: ok 1585
191: ok 1586
191: ok 1587
191: ok 1588
191: ok 1589
191: ok 1590
191: ok 1591
191: ok 1592
191: ok 1593
191: ok 1594
191: ok 1595
191: ok 1596
191: ok 1597
191: ok 1598
191: ok 1599
191: ok 1600
191: ok 1601
191: ok 1602
191: ok 1603
191: ok 1604
191: ok 1605
191: ok 1606
191: ok 1607
191: ok 1608
191: ok 1609
191: ok 1610
191: ok 1611
191: ok 1612
191: ok 1613
191: ok 1614
191: ok 1615
191: ok 1616
191: ok 1617
191: ok 1618
191: ok 1619
191: ok 1620
191: ok 1621
191: ok 1622
191: ok 1623
191: ok 1624
191: ok 1625
191: ok 1626
191: ok 1627
191: ok 1628
191: ok 1629
191: ok 1630
191: ok 1631
191: ok 1632
191: ok 1633
191: ok 1634
191: ok 1635
191: ok 1636
191: ok 1637
191: ok 1638
191: ok 1639
191: ok 1640
191: ok 1641
191: ok 1642
191: ok 1643
191: ok 1644
191: ok 1645
191: ok 1646
191: ok 1647
191: ok 1648
191: ok 1649
191: ok 1650
191: ok 1651
191: ok 1652
191: ok 1653
191: ok 1654
191: ok 1655
191: ok 1656
191: ok 1657
191: ok 1658
191: ok 1659
191: ok 1660
191: ok 1661
191: ok 1662
191: ok 1663
191: ok 1664
191: ok 1665
191: ok 1666
191: ok 1667
191: ok 1668
191: ok 1669
191: ok 1670
191: ok 1671
191: ok 1672
191: ok 1673
191: ok 1674
191: ok 1675
191: ok 1676
191: ok 1677
191: ok 1678
191: ok 1679
191: ok 1680
191: ok 1681
191: ok 1682
191: ok 1683
191: ok 1684
191: ok 1685
191: ok 1686
191: ok 1687
191: ok 1688
191: ok 1689
191: ok 1690
191: ok 1691
191: ok 1692
191: ok 1693
191: ok 1694
191: ok 1695
191: ok 1696
191: ok 1697
191: ok 1698
191: ok 1699
191: ok 1700
191: ok 1701
191: ok 1702
191: ok 1703
191: ok 1704
191: ok 1705
191: ok 1706
191: ok 1707
191: ok 1708
191: ok 1709
191: ok 1710
191: ok 1711
191: ok 1712
191: ok 1713
191: ok 1714
191: ok 1715
191: ok 1716
191: ok 1717
191: ok 1718
191: ok 1719
191: ok 1720
191: ok 1721
191: ok 1722
191: ok 1723
191: ok 1724
191: ok 1725
191: ok 1726
191: ok 1727
191: ok 1728
191: ok 1729
191: ok 1730
191: ok 1731
191: ok 1732
191: ok 1733
191: ok 1734
191: ok 1735
191: ok 1736
191: ok 1737
191: ok 1738
191: ok 1739
191: ok 1740
191: ok 1741
191: ok 1742
191: ok 1743
191: ok 1744
191: ok 1745
191: ok 1746
191: ok 1747
191: ok 1748
191: ok 1749
191: ok 1750
191: ok 1751
191: ok 1752
191: ok 1753
191: ok 1754
191: ok 1755
191: ok 1756
191: ok 1757
191: ok 1758
191: ok 1759
191: ok 1760
191: ok 1761
191: ok 1762
191: ok 1763
191: ok 1764
191: ok 1765
191: ok 1766
191: ok 1767
191: ok 1768
191: ok 1769
191: ok 1770
191: ok 1771
191: ok 1772
191: ok 1773
191: ok 1774
191: ok 1775
191: ok 1776
191: ok 1777
191: ok 1778
191: ok 1779
191: ok 1780
191: ok 1781
191: ok 1782
191: ok 1783
191: ok 1784
191: ok 1785
191: ok 1786
191: ok 1787
191: ok 1788
191: ok 1789
191: ok 1790
191: ok 1791
191: ok 1792
191: ok 1793
191: ok 1794
191: ok 1795
191: ok 1796
191: ok 1797
191: ok 1798
191: ok 1799
191: ok 1800
191: ok 1801
191: ok 1802
191: ok 1803
191: ok 1804
191: ok 1805
191: ok 1806
191: ok 1807
191: ok 1808
191: ok 1809
191: ok 1810
191: ok 1811
191: ok 1812
191: ok 1813
191: ok 1814
191: ok 1815
191: ok 1816
191: ok 1817
191: ok 1818
191: ok 1819
191: ok 1820
191: ok 1821
191: ok 1822
191: ok 1823
191: ok 1824
191: ok 1825
191: ok 1826
191: ok 1827
191: ok 1828
191: ok 1829
191: ok 1830
191: ok 1831
191: ok 1832
191: ok 1833
191: ok 1834
191: ok 1835
191: ok 1836
191: ok 1837
191: ok 1838
191: ok 1839
191: ok 1840
191: ok 1841
191: ok 1842
191: ok 1843
191: ok 1844
191: ok 1845
191: ok 1846
191: ok 1847
191: ok 1848
191: ok 1849
191: ok 1850
191: ok 1851
191: ok 1852
191: ok 1853
191: ok 1854
191: ok 1855
191: ok 1856
191: ok 1857
191: ok 1858
191: ok 1859
191: ok 1860
191: ok 1861
191: ok 1862
191: ok 1863
191: ok 1864
191: ok 1865
191: ok 1866
191: ok 1867
191: ok 1868
191: ok 1869
191: ok 1870
191: ok 1871
191: ok 1872
191: ok 1873
191: ok 1874
191: ok 1875
191: ok 1876
191: ok 1877
191: ok 1878
191: ok 1879
191: ok 1880
191: ok 1881
191: ok 1882
191: ok 1883
191: ok 1884
191: ok 1885
191: ok 1886
191: ok 1887
191: ok 1888
191: ok 1889
191: ok 1890
191: ok 1891
191: ok 1892
191: ok 1893
191: ok 1894
191: ok 1895
191: ok 1896
191: ok 1897
191: ok 1898
191: ok 1899
191: ok 1900
191: ok 1901
191: ok 1902
191: ok 1903
191: ok 1904
191: ok 1905
191: ok 1906
191: ok 1907
191: ok 1908
191: ok 1909
191: ok 1910
191: ok 1911
191: ok 1912
191: ok 1913
191: ok 1914
191: ok 1915
191: ok 1916
191: ok 1917
191: ok 1918
191: ok 1919
191: ok 1920
191: ok 1921
191: ok 1922
191: ok 1923
191: ok 1924
191: ok 1925
191: ok 1926
191: ok 1927
191: ok 1928
191: ok 1929
191: ok 1930
191: ok 1931
191: ok 1932
191: ok 1933
191: ok 1934
191: ok 1935
191: ok 1936
191: ok 1937
191: ok 1938
191: ok 1939
191: ok 1940
191: ok 1941
191: ok 1942
191: ok 1943
191: ok 1944
191: ok 1945
191: ok 1946
191: ok 1947
191: ok 1948
191: ok 1949
191: ok 1950
191: ok 1951
191: ok 1952
191: ok 1953
191: ok 1954
191: ok 1955
191: ok 1956
191: ok 1957
191: ok 1958
191: ok 1959
191: ok 1960
191: ok 1961
191: ok 1962
191: ok 1963
191: ok 1964
191: ok 1965
191: ok 1966
191: ok 1967
191: ok 1968
191: ok 1969
191: ok 1970
191: ok 1971
191: ok 1972
191: ok 1973
191: ok 1974
191: ok 1975
191: ok 1976
191: ok 1977
191: ok 1978
191: ok 1979
191: ok 1980
191: ok 1981
191: ok 1982
191: ok 1983
191: ok 1984
191: ok 1985
191: ok 1986
191: ok 1987
191: ok 1988
191: ok 1989
191: ok 1990
191: ok 1991
191: ok 1992
191: ok 1993
191: ok 1994
191: ok 1995
191: ok 1996
191: ok 1997
191: ok 1998
191: ok 1999
191: ok 2000
191: ok 2001
191: ok 2002
191: ok 2003
191: ok 2004
191: ok 2005
191: ok 2006
191: ok 2007
191: ok 2008
191: ok 2009
191: ok 2010
191: ok 2011
191: ok 2012
191: ok 2013
191: ok 2014
191: ok 2015
191: ok 2016
191: ok 2017
191: ok 2018
191: ok 2019
191: ok 2020
191: ok 2021
191: ok 2022
191: ok 2023
191: ok 2024
191: ok 2025
191: ok 2026
191: ok 2027
191: ok 2028
191: ok 2029
191: ok 2030
191: ok 2031
191: ok 2032
191: ok 2033
191: ok 2034
191: ok 2035
191: ok 2036
191: ok 2037
191: ok 2038
191: ok 2039
191: ok 2040
191: ok 2041
191: ok 2042
191: ok 2043
191: ok 2044
191: ok 2045
191: ok 2046
191: ok 2047
191: ok 2048
191: ok 2049
191: ok 2050
191: ok 2051
191: ok 2052
191: ok 2053
191: ok 2054
191: ok 2055
191: ok 2056
191: ok 2057
191: ok 2058
191: ok 2059
191: ok 2060
191: ok 2061
191: ok 2062
191: ok 2063
191: ok 2064
191: ok 2065
191: ok 2066
191: ok 2067
191: ok 2068
191: ok 2069
191: ok 2070
191: ok 2071
191: ok 2072
191: ok 2073
191: ok 2074
191: ok 2075
191: ok 2076
191: ok 2077
191: ok 2078
191: ok 2079
191: ok 2080
191: ok 2081
191: ok 2082
191: ok 2083
191: ok 2084
191: ok 2085
191: ok 2086
191: ok 2087
191: ok 2088
191: ok 2089
191: ok 2090
191: ok 2091
191: ok 2092
191: ok 2093
191: ok 2094
191: ok 2095
191: ok 2096
191: ok 2097
191: ok 2098
191: ok 2099
191: ok 2100
191: ok 2101
191: ok 2102
191: ok 2103
191: ok 2104
191: ok 2105
191: ok 2106
191: ok 2107
191: ok 2108
191: ok 2109
191: ok 2110
191: ok 2111
191: ok 2112
191: ok 2113
191: ok 2114
191: ok 2115
191: ok 2116
191: ok 2117
191: ok 2118
191: ok 2119
191: ok 2120
191: ok 2121
191: ok 2122
191: ok 2123
191: ok 2124
191: ok 2125
191: ok 2126
191: ok 2127
191: ok 2128
191: ok 2129
191: ok 2130
191: ok 2131
191: ok 2132
191: ok 2133
191: ok 2134
191: ok 2135
191: ok 2136
191: ok 2137
191: ok 2138
191: ok 2139
191: ok 2140
191: ok 2141
191: ok 2142
191: ok 2143
191: ok 2144
191: ok 2145
191: ok 2146
191: ok 2147
191: ok 2148
191: ok 2149
191: ok 2150
191: ok 2151
191: ok 2152
191: ok 2153
191: ok 2154
191: ok 2155
191: ok 2156
191: ok 2157
191: ok 2158
191: ok 2159
191: ok 2160
191: ok 2161
191: ok 2162
191: ok 2163
191: ok 2164
191: ok 2165
191: ok 2166
191: ok 2167
191: ok 2168
191: ok 2169
191: ok 2170
191: ok 2171
191: ok 2172
191: ok 2173
191: ok 2174
191: ok 2175
191: ok 2176
191: ok 2177
191: ok 2178
191: ok 2179
191: ok 2180
191: ok 2181
191: ok 2182
191: ok 2183
191: ok 2184
191: ok 2185
191: ok 2186
191: ok 2187
191: ok 2188
191: ok 2189
191: ok 2190
191: ok 2191
191: ok 2192
191: ok 2193
191: ok 2194
191: ok 2195
191: ok 2196
191: ok 2197
191: ok 2198
191: ok 2199
191: ok 2200
191: ok 2201
191: ok 2202
191: ok 2203
191: ok 2204
191: ok 2205
191: ok 2206
191: ok 2207
191: ok 2208
191: ok 2209
191: ok 2210
191: ok 2211
191: ok 2212
191: ok 2213
191: ok 2214
191: ok 2215
191: ok 2216
191: ok 2217
191: ok 2218
191: ok 2219
191: ok 2220
191: ok 2221
191: ok 2222
191: ok 2223
191: ok 2224
191: ok 2225
191: ok 2226
191: ok 2227
191: ok 2228
191: ok 2229
191: ok 2230
191: ok 2231
191: ok 2232
191: ok 2233
191: ok 2234
191: ok 2235
191: ok 2236
191: ok 2237
191: ok 2238
191: ok 2239
191: ok 2240
191: ok 2241
191: ok 2242
191: ok 2243
191: ok 2244
191: ok 2245
191: ok 2246
191: ok 2247
191: ok 2248
191: ok 2249
191: ok 2250
191: ok 2251
191: ok 2252
191: ok 2253
191: ok 2254
191: ok 2255
191: ok 2256
191: ok 2257
191: ok 2258
191: ok 2259
191: ok 2260
191: ok 2261
191: ok 2262
191: ok 2263
191: ok 2264
191: ok 2265
191: ok 2266
191: ok 2267
191: ok 2268
191: ok 2269
191: ok 2270
191: ok 2271
191: ok 2272
191: ok 2273
191: ok 2274
191: ok 2275
191: ok 2276
191: ok 2277
191: ok 2278
191: ok 2279
191: ok 2280
191: ok 2281
191: ok 2282
191: ok 2283
191: ok 2284
191: ok 2285
191: ok 2286
191: ok 2287
191: ok 2288
191: ok 2289
191: ok 2290
191: ok 2291
191: ok 2292
191: ok 2293
191: ok 2294
191: ok 2295
191: ok 2296
191: ok 2297
191: ok 2298
191: ok 2299
191: ok 2300
191: ok 2301
191: ok 2302
191: ok 2303
191: ok 2304
191: ok 2305
191: ok 2306
191: ok 2307
191: ok 2308
191: ok 2309
191: ok 2310
191: ok 2311
191: ok 2312
191: ok 2313
191: ok 2314
191: ok 2315
191: ok 2316
191: ok 2317
191: ok 2318
191: ok 2319
191: ok 2320
191: ok 2321
191: ok 2322
191: ok 2323
191: ok 2324
191: ok 2325
191: ok 2326
191: ok 2327
191: ok 2328
191: ok 2329
191: ok 2330
191: ok 2331
191: ok 2332
191: ok 2333
191: ok 2334
191: ok 2335
191: ok 2336
191: ok 2337
191: ok 2338
191: ok 2339
191: ok 2340
191: ok 2341
191: ok 2342
191: ok 2343
191: ok 2344
191: ok 2345
191: ok 2346
191: ok 2347
191: ok 2348
191: ok 2349
191: ok 2350
191: ok 2351
191: ok 2352
191: ok 2353
191: ok 2354
191: ok 2355
191: ok 2356
191: ok 2357
191: ok 2358
191: ok 2359
191: ok 2360
191: ok 2361
191: ok 2362
191: ok 2363
191: ok 2364
191: ok 2365
191: ok 2366
191: ok 2367
191: ok 2368
191: ok 2369
191: ok 2370
191: ok 2371
191: ok 2372
191: ok 2373
191: ok 2374
191: ok 2375
191: ok 2376
191: ok 2377
191: ok 2378
191: ok 2379
191: ok 2380
191: ok 2381
191: ok 2382
191: ok 2383
191: ok 2384
191: ok 2385
191: ok 2386
191: ok 2387
191: ok 2388
191: ok 2389
191: ok 2390
191: ok 2391
191: ok 2392
191: ok 2393
191: ok 2394
191: ok 2395
191: ok 2396
191: ok 2397
191: ok 2398
191: ok 2399
191: ok 2400
191: ok 2401
191: ok 2402
191: ok 2403
191: ok 2404
191: ok 2405
191: ok 2406
191: ok 2407
191: ok 2408
191: ok 2409
191: ok 2410
191: ok 2411
191: ok 2412
191: ok 2413
191: ok 2414
191: ok 2415
191: ok 2416
191: ok 2417
191: ok 2418
191: ok 2419
191: ok 2420
191: ok 2421
191: ok 2422
191: ok 2423
191: ok 2424
191: ok 2425
191: ok 2426
191: ok 2427
191: ok 2428
191: ok 2429
191: ok 2430
191: ok 2431
191: ok 2432
191: ok 2433
191: ok 2434
191: ok 2435
191: ok 2436
191: ok 2437
191: ok 2438
191: ok 2439
191: ok 2440
191: ok 2441
191: ok 2442
191: ok 2443
191: ok 2444
191: ok 2445
191: ok 2446
191: ok 2447
191: ok 2448
191: ok 2449
191: ok 2450
191: ok 2451
191: ok 2452
191: ok 2453
191: ok 2454
191: ok 2455
191: ok 2456
191: ok 2457
191: ok 2458
191: ok 2459
191: ok 2460
191: ok 2461
191: ok 2462
191: ok 2463
191: ok 2464
191: ok 2465
191: ok 2466
191: ok 2467
191: ok 2468
191: ok 2469
191: ok 2470
191: ok 2471
191: ok 2472
191: ok 2473
191: ok 2474
191: ok 2475
191: ok 2476
191: ok 2477
191: ok 2478
191: ok 2479
191: ok 2480
191: ok 2481
191: ok 2482
191: ok 2483
191: ok 2484
191: ok 2485
191: ok 2486
191: ok 2487
191: ok 2488
191: ok 2489
191: ok 2490
191: ok 2491
191: ok 2492
191: ok 2493
191: ok 2494
191: ok 2495
191: ok 2496
191: ok 2497
191: ok 2498
191: ok 2499
191: ok 2500
191: ok 2501
191: ok 2502
191: ok 2503
191: ok 2504
191: ok 2505
191: ok 2506
191: ok 2507
191: ok 2508
191: ok 2509
191: ok 2510
191: ok 2511
191: ok 2512
191: ok 2513
191: ok 2514
191: ok 2515
191: ok 2516
191: ok 2517
191: ok 2518
191: ok 2519
191: ok 2520
191: ok 2521
191: ok 2522
191: ok 2523
191: ok 2524
191: ok 2525
191: ok 2526
191: ok 2527
191: ok 2528
191: ok 2529
191: ok 2530
191: ok 2531
191: ok 2532
191: ok 2533
191: ok 2534
191: ok 2535
191: ok 2536
191: ok 2537
191: ok 2538
191: ok 2539
191: ok 2540
191: ok 2541
191: ok 2542
191: ok 2543
191: ok 2544
191: ok 2545
191: ok 2546
191: ok 2547
191: ok 2548
191: ok 2549
191: ok 2550
191: ok 2551
191: ok 2552
191: ok 2553
191: ok 2554
191: ok 2555
191: ok 2556
191: ok 2557
191: ok 2558
191: ok 2559
191: ok 2560
191: ok 2561
191: ok 2562
191: ok 2563
191: ok 2564
191: ok 2565
191: ok 2566
191: ok 2567
191: ok 2568
191: ok 2569
191: ok 2570
191: ok 2571
191: ok 2572
191: ok 2573
191: ok 2574
191: ok 2575
191: ok 2576
191: ok 2577
191: ok 2578
191: ok 2579
191: ok 2580
191: ok 2581
191: ok 2582
191: ok 2583
191: ok 2584
191: ok 2585
191: ok 2586
191: ok 2587
191: ok 2588
191: ok 2589
191: ok 2590
191: ok 2591
191: ok 2592
191: ok 2593
191: ok 2594
191: ok 2595
191: ok 2596
191: ok 2597
191: ok 2598
191: ok 2599
191: ok 2600
191: ok 2601
191: ok 2602
191: ok 2603
191: ok 2604
191: ok 2605
191: ok 2606
191: ok 2607
191: ok 2608
191: ok 2609
191: ok 2610
191: ok 2611
191: ok 2612
191: ok 2613
191: ok 2614
191: ok 2615
191: ok 2616
191: ok 2617
191: ok 2618
191: ok 2619
191: ok 2620
191: ok 2621
191: ok 2622
191: ok 2623
191: ok 2624
191: ok 2625
191: ok 2626
191: ok 2627
191: ok 2628
191: ok 2629
191: ok 2630
191: ok 2631
191: ok 2632
191: ok 2633
191: ok 2634
191: ok 2635
191: ok 2636
191: ok 2637
191: ok 2638
191: ok 2639
191: ok 2640
191: ok 2641
191: ok 2642
191: ok 2643
191: ok 2644
191: ok 2645
191: ok 2646
191: ok 2647
191: ok 2648
191: ok 2649
191: ok 2650
191: ok 2651
191: ok 2652
191: ok 2653
191: ok 2654
191: ok 2655
191: ok 2656
191: ok 2657
191: ok 2658
191: ok 2659
191: ok 2660
191: ok 2661
191: ok 2662
191: ok 2663
191: ok 2664
191: ok 2665
191: ok 2666
191: ok 2667
191: ok 2668
191: ok 2669
191: ok 2670
191: ok 2671
191: ok 2672
191: ok 2673
191: ok 2674
191: ok 2675
191: ok 2676
191: ok 2677
191: ok 2678
191: ok 2679
191: ok 2680
191: ok 2681
191: ok 2682
191: ok 2683
191: ok 2684
191: ok 2685
191: ok 2686
191: ok 2687
191: ok 2688
191: ok 2689
191: ok 2690
191: ok 2691
191: ok 2692
191: ok 2693
191: ok 2694
191: ok 2695
191: ok 2696
191: ok 2697
191: ok 2698
191: ok 2699
191: ok 2700
191: ok 2701
191: ok 2702
191: ok 2703
191: ok 2704
191: ok 2705
191: ok 2706
191: ok 2707
191: ok 2708
191: ok 2709
191: ok 2710
191: ok 2711
191: ok 2712
191: ok 2713
191: ok 2714
191: ok 2715
191: ok 2716
191: ok 2717
191: ok 2718
191: ok 2719
191: ok 2720
191: ok 2721
191: ok 2722
191: ok 2723
191: ok 2724
191: ok 2725
191: ok 2726
191: ok 2727
191: ok 2728
191: ok 2729
191: ok 2730
191: ok 2731
191: ok 2732
191: ok 2733
191: ok 2734
191: ok 2735
191: ok 2736
191: ok 2737
191: ok 2738
191: ok 2739
191: ok 2740
191: ok 2741
191: ok 2742
191: ok 2743
191: ok 2744
191: ok 2745
191: ok 2746
191: ok 2747
191: ok 2748
191: ok 2749
191: ok 2750
191: ok 2751
191: ok 2752
191: ok 2753
191: ok 2754
191: ok 2755
191: ok 2756
191: ok 2757
191: ok 2758
191: ok 2759
191: ok 2760
191: ok 2761
191: ok 2762
191: ok 2763
191: ok 2764
191: ok 2765
191: ok 2766
191: ok 2767
191: ok 2768
191: ok 2769
191: ok 2770
191: ok 2771
191: ok 2772
191: ok 2773
191: ok 2774
191: ok 2775
191: ok 2776
191: ok 2777
191: ok 2778
191: ok 2779
191: ok 2780
191: ok 2781
191: ok 2782
191: ok 2783
191: ok 2784
191: ok 2785
191: ok 2786
191: ok 2787
191: ok 2788
191: ok 2789
191: ok 2790
191: ok 2791
191: ok 2792
191: ok 2793
191: ok 2794
191: ok 2795
191: ok 2796
191: ok 2797
191: ok 2798
191: ok 2799
191: ok 2800
191: ok 2801
191: ok 2802
191: ok 2803
191: ok 2804
191: ok 2805
191: ok 2806
191: ok 2807
191: ok 2808
191: ok 2809
191: ok 2810
191: ok 2811
191: ok 2812
191: ok 2813
191: ok 2814
191: ok 2815
191: ok 2816
191: ok 2817
191: ok 2818
191: ok 2819
191: ok 2820
191: ok 2821
191: ok 2822
191: ok 2823
191: ok 2824
191: ok 2825
191: ok 2826
191: ok 2827
191: ok 2828
191: ok 2829
191: ok 2830
191: ok 2831
191: ok 2832
191: ok 2833
191: ok 2834
191: ok 2835
191: ok 2836
191: ok 2837
191: ok 2838
191: ok 2839
191: ok 2840
191: ok 2841
191: ok 2842
191: ok 2843
191: ok 2844
191: ok 2845
191: ok 2846
191: ok 2847
191: ok 2848
191: ok 2849
191: ok 2850
191: ok 2851
191: ok 2852
191: ok 2853
191: ok 2854
191: ok 2855
191: ok 2856
191: ok 2857
191: ok 2858
191: ok 2859
191: ok 2860
191: ok 2861
191: ok 2862
191: ok 2863
191: ok 2864
191: ok 2865
191: ok 2866
191: ok 2867
191: ok 2868
191: ok 2869
191: ok 2870
191: ok 2871
191: ok 2872
191: ok 2873
191: ok 2874
191: ok 2875
191: ok 2876
191: ok 2877
191: ok 2878
191: ok 2879
191: ok 2880
191: ok 2881
191: ok 2882
191: ok 2883
191: ok 2884
191: ok 2885
191: ok 2886
191: ok 2887
191: ok 2888
191: ok 2889
191: ok 2890
191: ok 2891
191: ok 2892
191: ok 2893
191: ok 2894
191: ok 2895
191: ok 2896
191: ok 2897
191: ok 2898
191: ok 2899
191: ok 2900
191: ok 2901
191: ok 2902
191: ok 2903
191: ok 2904
191: ok 2905
191: ok 2906
191: ok 2907
191: ok 2908
191: ok 2909
191: ok 2910
191: ok 2911
191: ok 2912
191: ok 2913
191: ok 2914
191: ok 2915
191: ok 2916
191: ok 2917
191: ok 2918
191: ok 2919
191: ok 2920
191: ok 2921
191: ok 2922
191: ok 2923
191: ok 2924
191: ok 2925
191: ok 2926
191: ok 2927
191: ok 2928
191: ok 2929
191: ok 2930
191: ok 2931
191: ok 2932
191: ok 2933
191: ok 2934
191: ok 2935
191: ok 2936
191: ok 2937
191: ok 2938
191: ok 2939
191: ok 2940
191: ok 2941
191: ok 2942
191: ok 2943
191: ok 2944
191: ok 2945
191: ok 2946
191: ok 2947
191: ok 2948
191: ok 2949
191: ok 2950
191: ok 2951
191: ok 2952
191: ok 2953
191: ok 2954
191: ok 2955
191: ok 2956
191: ok 2957
191: ok 2958
191: ok 2959
191: ok 2960
191: ok 2961
191: ok 2962
191: ok 2963
191: ok 2964
191: ok 2965
191: ok 2966
191: ok 2967
191: ok 2968
191: ok 2969
191: ok 2970
191: ok 2971
191: ok 2972
191: ok 2973
191: ok 2974
191: ok 2975
191: ok 2976
191: ok 2977
191: ok 2978
191: ok 2979
191: ok 2980
191: ok 2981
191: ok 2982
191: ok 2983
191: ok 2984
191: ok 2985
191: ok 2986
191: ok 2987
191: ok 2988
191: ok 2989
191: ok 2990
191: ok 2991
191: ok 2992
191: ok 2993
191: ok 2994
191: ok 2995
191: ok 2996
191: ok 2997
191: ok 2998
191: ok 2999
191: ok 3000
191: ok 3001
191: ok 3002
191: ok 3003
191: ok 3004
191: ok 3005
191: ok 3006
191: ok 3007
191: ok 3008
191: ok 3009
191: ok 3010
191: ok 3011
191: ok 3012
191: ok 3013
191: ok 3014
191: ok 3015
191: ok 3016
191: ok 3017
191: ok 3018
191: ok 3019
191: ok 3020
191: ok 3021
191: ok 3022
191: ok 3023
191: ok 3024
191: ok 3025
191: ok 3026
191: ok 3027
191: ok 3028
191: ok 3029
191: ok 3030
191: ok 3031
191: ok 3032
191: ok 3033
191: ok 3034
191: ok 3035
191: ok 3036
191: ok 3037
191: ok 3038
191: ok 3039
191: ok 3040
191: ok 3041
191: ok 3042
191: ok 3043
191: ok 3044
191: ok 3045
191: ok 3046
191: ok 3047
191: ok 3048
191: ok 3049
191: ok 3050
191: ok 3051
191: ok 3052
191: ok 3053
191: ok 3054
191: ok 3055
191: ok 3056
191: ok 3057
191: ok 3058
191: ok 3059
191: ok 3060
191: ok 3061
191: ok 3062
191: ok 3063
191: ok 3064
191: ok 3065
191: ok 3066
191: ok 3067
191: ok 3068
191: ok 3069
191: ok 3070
191: ok 3071
191: ok 3072
191: ok 3073
191: ok 3074
191: ok 3075
191: ok 3076
191: ok 3077
191: ok 3078
191: ok 3079
191: ok 3080
191: ok 3081
191: ok 3082
191: ok 3083
191: ok 3084
191: ok 3085
191: ok 3086
191: ok 3087
191: ok 3088
191: ok 3089
191: ok 3090
191: ok 3091
191: ok 3092
191: ok 3093
191: ok 3094
191: ok 3095
191: ok 3096
191: ok 3097
191: ok 3098
191: ok 3099
191: ok 3100
191: ok 3101
191: ok 3102
191: ok 3103
191: ok 3104
191: ok 3105
191: ok 3106
191: ok 3107
191: ok 3108
191: ok 3109
191: ok 3110
191: ok 3111
191: ok 3112
191: ok 3113
191: ok 3114
191: ok 3115
191: ok 3116
191: ok 3117
191: ok 3118
191: ok 3119
191: ok 3120
191: ok 3121
191: ok 3122
191: ok 3123
191: ok 3124
191: ok 3125
191: ok 3126
191: ok 3127
191: ok 3128
191: ok 3129
191: ok 3130
191: ok 3131
191: ok 3132
191: ok 3133
191: ok 3134
191: ok 3135
191: ok 3136
191: ok 3137
191: ok 3138
191: ok 3139
191: ok 3140
191: ok 3141
191: ok 3142
191: ok 3143
191: ok 3144
191: ok 3145
191: ok 3146
191: ok 3147
191: ok 3148
191: ok 3149
191: ok 3150
191: ok 3151
191: ok 3152
191: ok 3153
191: ok 3154
191: ok 3155
191: ok 3156
191: ok 3157
191: ok 3158
191: ok 3159
191: ok 3160
191: ok 3161
191: ok 3162
191: ok 3163
191: ok 3164
191: ok 3165
191: ok 3166
191: ok 3167
191: ok 3168
191: ok 3169
191: ok 3170
191: ok 3171
191: ok 3172
191: ok 3173
191: ok 3174
191: ok 3175
191: ok 3176
191: ok 3177
191: ok 3178
191: ok 3179
191: ok 3180
191: ok 3181
191: ok 3182
191: ok 3183
191: ok 3184
191: ok 3185
191: ok 3186
191: ok 3187
191: ok 3188
191: ok 3189
191: ok 3190
191: ok 3191
191: ok 3192
191: ok 3193
191: ok 3194
191: ok 3195
191: ok 3196
191: ok 3197
191: ok 3198
191: ok 3199
191: ok 3200
191: ok 3201
191: ok 3202
191: ok 3203
191: ok 3204
191: ok 3205
191: ok 3206
191: ok 3207
191: ok 3208
191: ok 3209
191: ok 3210
191: ok 3211
191: ok 3212
191: ok 3213
191: ok 3214
191: ok 3215
191: ok 3216
191: ok 3217
191: ok 3218
191: ok 3219
191: ok 3220
191: ok 3221
191: ok 3222
191: ok 3223
191: ok 3224
191: ok 3225
191: ok 3226
191: ok 3227
191: ok 3228
191: ok 3229
191: ok 3230
191: ok 3231
191: ok 3232
191: ok 3233
191: ok 3234
191: ok 3235
191: ok 3236
191: ok 3237
191: ok 3238
191: ok 3239
191: ok 3240
191: ok 3241
191: ok 3242
191: ok 3243
191: ok 3244
191: ok 3245
191: ok 3246
191: ok 3247
191: ok 3248
191: ok 3249
191: ok 3250
191: ok 3251
191: ok 3252
191: ok 3253
191: ok 3254
191: ok 3255
191: ok 3256
191: ok 3257
191: ok 3258
191: ok 3259
191: ok 3260
191: ok 3261
191: ok 3262
191: ok 3263
191: ok 3264
191: ok 3265
191: ok 3266
191: ok 3267
191: ok 3268
191: ok 3269
191: ok 3270
191: ok 3271
191: ok 3272
191: ok 3273
191: ok 3274
191: ok 3275
191: ok 3276
191: ok 3277
191: ok 3278
191: ok 3279
191: ok 3280
191: ok 3281
191: ok 3282
191: ok 3283
191: ok 3284
191: ok 3285
191: ok 3286
191: ok 3287
191: ok 3288
191: ok 3289
191: ok 3290
191: ok 3291
191: ok 3292
191: ok 3293
191: ok 3294
191: ok 3295
191: ok 3296
191: ok 3297
191: ok 3298
191: ok 3299
191: ok 3300
191: ok 3301
191: ok 3302
191: ok 3303
191: ok 3304
191: ok 3305
191: ok 3306
191: ok 3307
191: ok 3308
191: ok 3309
191: ok 3310
191: ok 3311
191: ok 3312
191: ok 3313
191: ok 3314
191: ok 3315
191: ok 3316
191: ok 3317
191: ok 3318
191: ok 3319
191: ok 3320
191: ok 3321
191: ok 3322
191: ok 3323
191: ok 3324
191: ok 3325
191: ok 3326
191: ok 3327
191: ok 3328
191: ok 3329
191: ok 3330
191: ok 3331
191: ok 3332
191: ok 3333
191: ok 3334
191: ok 3335
191: ok 3336
191: ok 3337
191: ok 3338
191: ok 3339
191: ok 3340
191: ok 3341
191: ok 3342
191: ok 3343
191: ok 3344
191: ok 3345
191: ok 3346
191: ok 3347
191: ok 3348
191: ok 3349
191: ok 3350
191: ok 3351
191: ok 3352
191: ok 3353
191: ok 3354
191: ok 3355
191: ok 3356
191: ok 3357
191: ok 3358
191: ok 3359
191: ok 3360
191: ok 3361
191: ok 3362
191: ok 3363
191: ok 3364
191: ok 3365
191: ok 3366
191: ok 3367
191: ok 3368
191: ok 3369
191: ok 3370
191: ok 3371
191: ok 3372
191: ok 3373
191: ok 3374
191: ok 3375
191: ok 3376
191: ok 3377
191: ok 3378
191: ok 3379
191: ok 3380
191: ok 3381
191: ok 3382
191: ok 3383
191: ok 3384
191: ok 3385
191: ok 3386
191: ok 3387
191: ok 3388
191: ok 3389
191: ok 3390
191: ok 3391
191: ok 3392
191: ok 3393
191: ok 3394
191: ok 3395
191: ok 3396
191: ok 3397
191: ok 3398
191: ok 3399
191: ok 3400
191: ok 3401
191: ok 3402
191: ok 3403
191: ok 3404
191: ok 3405
191: ok 3406
191: ok 3407
191: ok 3408
191: ok 3409
191: ok 3410
191: ok 3411
191: ok 3412
191: ok 3413
191: ok 3414
191: ok 3415
191: ok 3416
191: ok 3417
191: ok 3418
191: ok 3419
191: ok 3420
191: ok 3421
191: ok 3422
191: ok 3423
191: ok 3424
191: ok 3425
191: ok 3426
191: ok 3427
191: ok 3428
191: ok 3429
191: ok 3430
191: ok 3431
191: ok 3432
191: ok 3433
191: ok 3434
191: ok 3435
191: ok 3436
191: ok 3437
191: ok 3438
191: ok 3439
191: ok 3440
191: ok 3441
191: ok 3442
191: ok 3443
191: ok 3444
191: ok 3445
191: ok 3446
191: ok 3447
191: ok 3448
191: ok 3449
191: ok 3450
191: ok 3451
191: ok 3452
191: ok 3453
191: ok 3454
191: ok 3455
191: ok 3456
191: ok 3457
191: ok 3458
191: ok 3459
191: ok 3460
191: ok 3461
191: ok 3462
191: ok 3463
191: ok 3464
191: ok 3465
191: ok 3466
191: ok 3467
191: ok 3468
191: ok 3469
191: ok 3470
191: ok 3471
191: ok 3472
191: ok 3473
191: ok 3474
191: ok 3475
191: ok 3476
191: ok 3477
191: ok 3478
191: ok 3479
191: ok 3480
191: ok 3481
191: ok 3482
191: ok 3483
191: ok 3484
191: ok 3485
191: ok 3486
191: ok 3487
191: ok 3488
191: ok 3489
191: ok 3490
191: ok 3491
191: ok 3492
191: ok 3493
191: ok 3494
191: ok 3495
191: ok 3496
191: ok 3497
191: ok 3498
191: ok 3499
191: ok 3500
191: ok 3501
191: ok 3502
191: ok 3503
191: ok 3504
191: ok 3505
191: ok 3506
191: ok 3507
191: ok 3508
191: ok 3509
191: ok 3510
191: ok 3511
191: ok 3512
191: ok 3513
191: ok 3514
191: ok 3515
191: ok 3516
191: ok 3517
191: ok 3518
191: ok 3519
191: ok 3520
191: ok 3521
191: ok 3522
191: ok 3523
191: ok 3524
191: ok 3525
191: ok 3526
191: ok 3527
191: ok 3528
191: ok 3529
191: ok 3530
191: ok 3531
191: ok 3532
191: ok 3533
191: ok 3534
191: ok 3535
191: ok 3536
191: ok 3537
191: ok 3538
191: ok 3539
191: ok 3540
191: ok 3541
191: ok 3542
191: ok 3543
191: ok 3544
191: ok 3545
191: ok 3546
191: ok 3547
191: ok 3548
191: ok 3549
191: ok 3550
191: ok 3551
191: ok 3552
191: ok 3553
191: ok 3554
191: ok 3555
191: ok 3556
191: ok 3557
191: ok 3558
191: ok 3559
191: ok 3560
191: ok 3561
191: ok 3562
191: ok 3563
191: ok 3564
191: ok 3565
191: ok 3566
191: ok 3567
191: ok 3568
191: ok 3569
191: ok 3570
191: ok 3571
191: ok 3572
191: ok 3573
191: ok 3574
191: ok 3575
191: ok 3576
191: ok 3577
191: ok 3578
191: ok 3579
191: ok 3580
191: ok 3581
191: ok 3582
191: ok 3583
191: ok 3584
191: ok 3585
191: ok 3586
191: ok 3587
191: ok 3588
191: ok 3589
191: ok 3590
191: ok 3591
191: ok 3592
191: ok 3593
191: ok 3594
191: ok 3595
191: ok 3596
191: ok 3597
191: ok 3598
191: ok 3599
191: ok 3600
191: ok 3601
191: ok 3602
191: ok 3603
191: ok 3604
191: ok 3605
191: ok 3606
191: ok 3607
191: ok 3608
191: ok 3609
191: ok 3610
191: ok 3611
191: ok 3612
191: ok 3613
191: ok 3614
191: ok 3615
191: ok 3616
191: ok 3617
191: ok 3618
191: ok 3619
191: ok 3620
191: ok 3621
191: ok 3622
191: ok 3623
191: ok 3624
191: ok 3625
191: ok 3626
191: ok 3627
191: ok 3628
191: ok 3629
191: ok 3630
191: ok 3631
191: ok 3632
191: ok 3633
191: ok 3634
191: ok 3635
191: ok 3636
191: ok 3637
191: ok 3638
191: ok 3639
191: ok 3640
191: ok 3641
191: ok 3642
191: ok 3643
191: ok 3644
191: ok 3645
191: ok 3646
191: ok 3647
191: ok 3648
191: ok 3649
191: ok 3650
191: ok 3651
191: ok 3652
191: ok 3653
191: ok 3654
191: ok 3655
191: ok 3656
191: ok 3657
191: ok 3658
191: ok 3659
191: ok 3660
191: ok 3661
191: ok 3662
191: ok 3663
191: ok 3664
191: ok 3665
191: ok 3666
191: ok 3667
191: ok 3668
191: ok 3669
191: ok 3670
191: ok 3671
191: ok 3672
191: ok 3673
191: ok 3674
191: ok 3675
191: ok 3676
191: ok 3677
191: ok 3678
191: ok 3679
191: ok 3680
191: ok 3681
191: ok 3682
191: ok 3683
191: ok 3684
191: ok 3685
191: ok 3686
191: ok 3687
191: ok 3688
191: ok 3689
191: ok 3690
191: ok 3691
191: ok 3692
191: ok 3693
191: ok 3694
191: ok 3695
191: ok 3696
191: ok 3697
191: ok 3698
191: ok 3699
191: ok 3700
191: ok 3701
191: ok 3702
191: ok 3703
191: ok 3704
191: ok 3705
191: ok 3706
191: ok 3707
191: ok 3708
191: ok 3709
191: ok 3710
191: ok 3711
191: ok 3712
191: ok 3713
191: ok 3714
191: ok 3715
191: ok 3716
191: ok 3717
191: ok 3718
191: ok 3719
191: ok 3720
191: ok 3721
191: ok 3722
191: ok 3723
191: ok 3724
191: ok 3725
191: ok 3726
191: ok 3727
191: ok 3728
191: ok 3729
191: ok 3730
191: ok 3731
191: ok 3732
191: ok 3733
191: ok 3734
191: ok 3735
191: ok 3736
191: ok 3737
191: ok 3738
191: ok 3739
191: ok 3740
191: ok 3741
191: ok 3742
191: ok 3743
191: ok 3744
191: ok 3745
191: ok 3746
191: ok 3747
191: ok 3748
191: ok 3749
191: ok 3750
191: ok 3751
191: ok 3752
191: ok 3753
191: ok 3754
191: ok 3755
191: ok 3756
191: ok 3757
191: ok 3758
191: ok 3759
191: ok 3760
191: ok 3761
191: ok 3762
191: ok 3763
191: ok 3764
191: ok 3765
191: ok 3766
191: ok 3767
191: ok 3768
191: ok 3769
191: ok 3770
191: ok 3771
191: ok 3772
191: ok 3773
191: ok 3774
191: ok 3775
191: ok 3776
191: ok 3777
191: ok 3778
191: ok 3779
191: ok 3780
191: ok 3781
191: ok 3782
191: ok 3783
191: ok 3784
191: ok 3785
191: ok 3786
191: ok 3787
191: ok 3788
191: ok 3789
191: ok 3790
191: ok 3791
191: ok 3792
191: ok 3793
191: ok 3794
191: ok 3795
191: ok 3796
191: ok 3797
191: ok 3798
191: ok 3799
191: ok 3800
191: ok 3801
191: ok 3802
191: ok 3803
191: ok 3804
191: ok 3805
191: ok 3806
191: ok 3807
191: ok 3808
191: ok 3809
191: ok 3810
191: ok 3811
191: ok 3812
191: ok 3813
191: ok 3814
191: ok 3815
191: ok 3816
191: ok 3817
191: ok 3818
191: ok 3819
191: ok 3820
191: ok 3821
191: ok 3822
191: ok 3823
191: ok 3824
191: ok 3825
191: ok 3826
191: ok 3827
191: ok 3828
191: ok 3829
191: ok 3830
191: ok 3831
191: ok 3832
191: ok 3833
191: ok 3834
191: ok 3835
191: ok 3836
191: ok 3837
191: ok 3838
191: ok 3839
191: ok 3840
191: ok 3841
191: ok 3842
191: ok 3843
191: ok 3844
191: ok 3845
191: ok 3846
191: ok 3847
191: ok 3848
191: ok 3849
191: ok 3850
191: ok 3851
191: ok 3852
191: ok 3853
191: ok 3854
191: ok 3855
191: ok 3856
191: ok 3857
191: ok 3858
191: ok 3859
191: ok 3860
191: ok 3861
191: ok 3862
191: ok 3863
191: ok 3864
191: ok 3865
191: ok 3866
191: ok 3867
191: ok 3868
191: ok 3869
191: ok 3870
191: ok 3871
191: ok 3872
191: ok 3873
191: ok 3874
191: ok 3875
191: ok 3876
191: ok 3877
191: ok 3878
191: ok 3879
191: ok 3880
191: ok 3881
191: ok 3882
191: ok 3883
191: ok 3884
191: ok 3885
191: ok 3886
191: ok 3887
191: ok 3888
191: ok 3889
191: ok 3890
191: ok 3891
191: ok 3892
191: ok 3893
191: ok 3894
191: ok 3895
191: ok 3896
191: ok 3897
191: ok 3898
191: ok 3899
191: ok 3900
191: ok 3901
191: ok 3902
191: ok 3903
191: ok 3904
191: ok 3905
191: ok 3906
191: ok 3907
191: ok 3908
191: ok 3909
191: ok 3910
191: ok 3911
191: ok 3912
191: ok 3913
191: ok 3914
191: ok 3915
191: ok 3916
191: ok 3917
191: ok 3918
191: ok 3919
191: ok 3920
191: ok 3921
191: ok 3922
191: ok 3923
191: ok 3924
191: ok 3925
191: ok 3926
191: ok 3927
191: ok 3928
191: ok 3929
191: ok 3930
191: ok 3931
191: ok 3932
191: ok 3933
191: ok 3934
191: ok 3935
191: ok 3936
191: ok 3937
191: ok 3938
191: ok 3939
191: ok 3940
191: ok 3941
191: ok 3942
191: ok 3943
191: ok 3944
191: ok 3945
191: ok 3946
191: ok 3947
191: ok 3948
191: ok 3949
191: ok 3950
191: ok 3951
191: ok 3952
191: ok 3953
191: ok 3954
191: ok 3955
191: ok 3956
191: ok 3957
191: ok 3958
191: ok 3959
191: ok 3960
191: ok 3961
191: ok 3962
191: ok 3963
191: ok 3964
191: ok 3965
191: ok 3966
191: ok 3967
191: ok 3968
191: ok 3969
191: ok 3970
191: ok 3971
191: ok 3972
191: ok 3973
191: ok 3974
191: ok 3975
191: ok 3976
191: ok 3977
191: ok 3978
191: ok 3979
191: ok 3980
191: ok 3981
191: ok 3982
191: ok 3983
191: ok 3984
191: ok 3985
191: ok 3986
191: ok 3987
191: ok 3988
191: ok 3989
191: ok 3990
191: ok 3991
191: ok 3992
191: ok 3993
191: ok 3994
191: ok 3995
191: ok 3996
191: ok 3997
191: ok 3998
191: ok 3999
191: ok 4000
191: ok 4001
191: ok 4002
191: ok 4003
191: ok 4004
191: ok 4005
191: ok 4006
191: ok 4007
191: ok 4008
191: ok 4009
191: ok 4010
191: ok 4011
191: ok 4012
191: ok 4013
191: ok 4014
191: ok 4015
191: ok 4016
191: ok 4017
191: ok 4018
191: ok 4019
191: ok 4020
191: ok 4021
191: ok 4022
191: ok 4023
191: ok 4024
191: ok 4025
191: ok 4026
191: ok 4027
191: ok 4028
191: ok 4029
191: ok 4030
191: ok 4031
191: ok 4032
191: ok 4033
191: ok 4034
191: ok 4035
191: ok 4036
191: ok 4037
191: ok 4038
191: ok 4039
191: ok 4040
191: ok 4041
191: ok 4042
191: ok 4043
191: ok 4044
191: ok 4045
191: ok 4046
191: ok 4047
191: ok 4048
191: ok 4049
191: ok 4050
191: ok 4051
191: ok 4052
191: ok 4053
191: ok 4054
191: ok 4055
191: ok 4056
191: ok 4057
191: ok 4058
191: ok 4059
191: ok 4060
191: ok 4061
191: ok 4062
191: ok 4063
191: ok 4064
191: ok 4065
191: ok 4066
191: ok 4067
191: ok 4068
191: ok 4069
191: ok 4070
191: ok 4071
191: ok 4072
191: ok 4073
191: ok 4074
191: ok 4075
191: ok 4076
191: ok 4077
191: ok 4078
191: ok 4079
191: ok 4080
191: ok 4081
191: ok 4082
191: ok 4083
191: ok 4084
191: ok 4085
191: ok 4086
191: ok 4087
191: ok 4088
191: ok 4089
191: ok 4090
191: ok 4091
191: ok 4092
191: ok 4093
191: ok 4094
191: ok 4095
191: ok 4096
191: ok 4097
191: ok 4098
191: ok 4099
191: ok 4100
191: ok 4101
191: ok 4102
191: ok 4103
191: ok 4104
191: ok 4105
191: ok 4106
191: ok 4107
191: ok 4108
191: ok 4109
191: ok 4110
191: ok 4111
191: ok 4112
191: ok 4113
191: ok 4114
191: ok 4115
191: ok 4116
191: ok 4117
191: ok 4118
191: ok 4119
191: ok 4120
191: ok 4121
191: ok 4122
191: ok 4123
191: ok 4124
191: ok 4125
191: ok 4126
191: ok 4127
191: ok 4128
191: ok 4129
191: ok 4130
191: ok 4131
191: ok 4132
191: ok 4133
191: ok 4134
191: ok 4135
191: ok 4136
191: ok 4137
191: ok 4138
191: ok 4139
191: ok 4140
191: ok 4141
191: ok 4142
191: ok 4143
191: ok 4144
191: ok 4145
191: ok 4146
191: ok 4147
191: ok 4148
191: ok 4149
191: ok 4150
191: ok 4151
191: ok 4152
191: ok 4153
191: ok 4154
191: ok 4155
191: ok 4156
191: ok 4157
191: ok 4158
191: ok 4159
191: ok 4160
191: ok 4161
191: ok 4162
191: ok 4163
191: ok 4164
191: ok 4165
191: ok 4166
191: ok 4167
191: ok 4168
191: ok 4169
191: ok 4170
191: ok 4171
191: ok 4172
191: ok 4173
191: ok 4174
191: ok 4175
191: ok 4176
191: ok 4177
191: ok 4178
191: ok 4179
191: ok 4180
191: ok 4181
191: ok 4182
191: ok 4183
191: ok 4184
191: ok 4185
191: ok 4186
191: ok 4187
191: ok 4188
191: ok 4189
191: ok 4190
191: ok 4191
191: ok 4192
191: ok 4193
191: ok 4194
191: ok 4195
191: ok 4196
191: ok 4197
191: ok 4198
191: ok 4199
191: ok 4200
191: ok 4201
191: ok 4202
191: ok 4203
191: ok 4204
191: ok 4205
191: ok 4206
191: ok 4207
191: ok 4208
191: ok 4209
191: ok 4210
191: ok 4211
191: ok 4212
191: ok 4213
191: ok 4214
191: ok 4215
191: ok 4216
191: ok 4217
191: ok 4218
191: ok 4219
191: ok 4220
191: ok 4221
191: ok 4222
191: ok 4223
191: ok 4224
191: ok 4225
191: ok 4226
191: ok 4227
191: ok 4228
191: ok 4229
191: ok 4230
191: ok 4231
191: ok 4232
191: ok 4233
191: ok 4234
191: ok 4235
191: ok 4236
191: ok 4237
191: ok 4238
191: ok 4239
191: ok 4240
191: ok 4241
191: ok 4242
191: ok 4243
191: ok 4244
191: ok 4245
191: ok 4246
191: ok 4247
191: ok 4248
191: ok 4249
191: ok 4250
191: ok 4251
191: ok 4252
191: ok 4253
191: ok 4254
191: ok 4255
191: ok 4256
191: ok 4257
191: ok 4258
191: ok 4259
191: ok 4260
191: ok 4261
191: ok 4262
191: ok 4263
191: ok 4264
191: ok 4265
191: ok 4266
191: ok 4267
191: ok 4268
191: ok 4269
191: ok 4270
191: ok 4271
191: ok 4272
191: ok 4273
191: ok 4274
191: ok 4275
191: ok 4276
191: ok 4277
191: ok 4278
191: ok 4279
191: ok 4280
191: ok 4281
191: ok 4282
191: ok 4283
191: ok 4284
191: ok 4285
191: ok 4286
191: ok 4287
191: ok 4288
191: ok 4289
191: ok 4290
191: ok 4291
191: ok 4292
191: ok 4293
191: ok 4294
191: ok 4295
191: ok 4296
191: ok 4297
191: ok 4298
191: ok 4299
191: ok 4300
191: ok 4301
191: ok 4302
191: ok 4303
191: ok 4304
191: ok 4305
191: ok 4306
191: ok 4307
191: ok 4308
191: ok 4309
191: ok 4310
191: ok 4311
191: ok 4312
191: ok 4313
191: ok 4314
191: ok 4315
191: ok 4316
191: ok 4317
191: ok 4318
191: ok 4319
191: ok 4320
191: ok 4321
191: ok 4322
191: ok 4323
191: ok 4324
191: ok 4325
191: ok 4326
191: ok 4327
191: ok 4328
191: ok 4329
191: ok 4330
191: ok 4331
191: ok 4332
191: ok 4333
191: ok 4334
191: ok 4335
191: ok 4336
191: ok 4337
191: ok 4338
191: ok 4339
191: ok 4340
191: ok 4341
191: ok 4342
191: ok 4343
191: ok 4344
191: ok 4345
191: ok 4346
191: ok 4347
191: ok 4348
191: ok 4349
191: ok 4350
191: ok 4351
191: ok 4352
191: ok 4353
191: ok 4354
191: ok 4355
191: ok 4356
191: ok 4357
191: ok 4358
191: ok 4359
191: ok 4360
191: ok 4361
191: ok 4362
191: ok 4363
191: ok 4364
191: ok 4365
191: ok 4366
191: ok 4367
191: ok 4368
191: ok 4369
191: ok 4370
191: ok 4371
191: ok 4372
191: ok 4373
191: ok 4374
191: ok 4375
191: ok 4376
191: ok 4377
191: ok 4378
191: ok 4379
191: ok 4380
191: ok 4381
191: ok 4382
191: ok 4383
191: ok 4384
191: ok 4385
191: ok 4386
191: ok 4387
191: ok 4388
191: ok 4389
191: ok 4390
191: ok 4391
191: ok 4392
191: ok 4393
191: ok 4394
191: ok 4395
191: ok 4396
191: ok 4397
191: ok 4398
191: ok 4399
191: ok 4400
191: ok 4401
191: ok 4402
191: ok 4403
191: ok 4404
191: ok 4405
191: ok 4406
191: ok 4407
191: ok 4408
191: ok 4409
191: ok 4410
191: ok 4411
191: ok 4412
191: ok 4413
191: ok 4414
191: ok 4415
191: ok 4416
191: ok 4417
191: ok 4418
191: ok 4419
191: ok 4420
191: ok 4421
191: ok 4422
191: ok 4423
191: ok 4424
191: ok 4425
191: ok 4426
191: ok 4427
191: ok 4428
191: ok 4429
191: ok 4430
191: ok 4431
191: ok 4432
191: ok 4433
191: ok 4434
191: ok 4435
191: ok 4436
191: ok 4437
191: ok 4438
191: ok 4439
191: ok 4440
191: ok 4441
191: ok 4442
191: ok 4443
191: ok 4444
191: ok 4445
191: ok 4446
191: ok 4447
191: ok 4448
191: ok 4449
191: ok 4450
191: ok 4451
191: ok 4452
191: ok 4453
191: ok 4454
191: ok 4455
191: ok 4456
191: ok 4457
191: ok 4458
191: ok 4459
191: ok 4460
191: ok 4461
191: ok 4462
191: ok 4463
191: ok 4464
191: ok 4465
191: ok 4466
191: ok 4467
191: ok 4468
191: ok 4469
191: ok 4470
191: ok 4471
191: ok 4472
191: ok 4473
191: ok 4474
191: ok 4475
191: ok 4476
191: ok 4477
191: ok 4478
191: ok 4479
191: ok 4480
191: ok 4481
191: ok 4482
191: ok 4483
191: ok 4484
191: ok 4485
191: ok 4486
191: ok 4487
191: ok 4488
191: ok 4489
191: ok 4490
191: ok 4491
191: ok 4492
191: ok 4493
191: ok 4494
191: ok 4495
191: ok 4496
191: ok 4497
191: ok 4498
191: ok 4499
191: ok 4500
191: ok 4501
191: ok 4502
191: ok 4503
191: ok 4504
191: ok 4505
191: ok 4506
191: ok 4507
191: ok 4508
191: ok 4509
191: ok 4510
191: ok 4511
191: ok 4512
191: ok 4513
191: ok 4514
191: ok 4515
191: ok 4516
191: ok 4517
191: ok 4518
191: ok 4519
191: ok 4520
191: ok 4521
191: ok 4522
191: ok 4523
191: ok 4524
191: ok 4525
191: ok 4526
191: ok 4527
191: ok 4528
191: ok 4529
191: ok 4530
191: ok 4531
191: ok 4532
191: ok 4533
191: ok 4534
191: ok 4535
191: ok 4536
191: ok 4537
191: ok 4538
191: ok 4539
191: ok 4540
191: ok 4541
191: ok 4542
191: ok 4543
191: ok 4544
191: ok 4545
191: ok 4546
191: ok 4547
191: ok 4548
191: ok 4549
191: ok 4550
191: ok 4551
191: ok 4552
191: ok 4553
191: ok 4554
191: ok 4555
191: ok 4556
191: ok 4557
191: ok 4558
191: ok 4559
191: ok 4560
191: ok 4561
191: ok 4562
191: ok 4563
191: ok 4564
191: ok 4565
191: ok 4566
191: ok 4567
191: ok 4568
191: ok 4569
191: ok 4570
191: ok 4571
191: ok 4572
191: ok 4573
191: ok 4574
191: ok 4575
191: ok 4576
191: ok 4577
191: ok 4578
191: ok 4579
191: ok 4580
191: ok 4581
191: ok 4582
191: ok 4583
191: ok 4584
191: ok 4585
191: ok 4586
191: ok 4587
191: ok 4588
191: ok 4589
191: ok 4590
191: ok 4591
191: ok 4592
191: ok 4593
191: ok 4594
191: ok 4595
191: ok 4596
191: ok 4597
191: ok 4598
191: ok 4599
191: ok 4600
191: ok 4601
191: ok 4602
191: ok 4603
191: ok 4604
191: ok 4605
191: ok 4606
191: ok 4607
191: ok 4608
191: ok 4609
191: ok 4610
191: ok 4611
191: ok 4612
191: ok 4613
191: ok 4614
191: ok 4615
191: ok 4616
191: ok 4617
191: ok 4618
191: ok 4619
191: ok 4620
191: ok 4621
191: ok 4622
191: ok 4623
191: ok 4624
191: ok 4625
191: ok 4626
191: ok 4627
191: ok 4628
191: ok 4629
191: ok 4630
191: ok 4631
191: ok 4632
191: ok 4633
191: ok 4634
191: ok 4635
191: ok 4636
191: ok 4637
191: ok 4638
191: ok 4639
191: ok 4640
191: ok 4641
191: ok 4642
191: ok 4643
191: ok 4644
191: ok 4645
191: ok 4646
191: ok 4647
191: ok 4648
191: ok 4649
191: ok 4650
191: ok 4651
191: ok 4652
191: ok 4653
191: ok 4654
191: ok 4655
191: ok 4656
191: ok 4657
191: ok 4658
191: ok 4659
191: ok 4660
191: ok 4661
191: ok 4662
191: ok 4663
191: ok 4664
191: ok 4665
191: ok 4666
191: ok 4667
191: ok 4668
191: ok 4669
191: ok 4670
191: ok 4671
191: ok 4672
191: ok 4673
191: ok 4674
191: ok 4675
191: ok 4676
191: ok 4677
191: ok 4678
191: ok 4679
191: ok 4680
191: ok 4681
191: ok 4682
191: ok 4683
191: ok 4684
191: ok 4685
191: ok 4686
191: ok 4687
191: ok 4688
191: ok 4689
191: ok 4690
191: ok 4691
191: ok 4692
191: ok 4693
191: ok 4694
191: ok 4695
191: ok 4696
191: ok 4697
191: ok 4698
191: ok 4699
191: ok 4700
191: ok 4701
191: ok 4702
191: ok 4703
191: ok 4704
191: ok 4705
191: ok 4706
191: ok 4707
191: ok 4708
191: ok 4709
191: ok 4710
191: ok 4711
191: ok 4712
191: ok 4713
191: ok 4714
191: ok 4715
191: ok 4716
191: ok 4717
191: ok 4718
191: ok 4719
191: ok 4720
191: ok 4721
191: ok 4722
191: ok 4723
191: ok 4724
191: ok 4725
191: ok 4726
191: ok 4727
191: ok 4728
191: ok 4729
191: ok 4730
191: ok 4731
191: ok 4732
191: ok 4733
191: ok 4734
191: ok 4735
191: ok 4736
191: ok 4737
191: ok 4738
191: ok 4739
191: ok 4740
191: ok 4741
191: ok 4742
191: ok 4743
191: ok 4744
191: ok 4745
191: ok 4746
191: ok 4747
191: ok 4748
191: ok 4749
191: ok 4750
191: ok 4751
191: ok 4752
191: ok 4753
191: ok 4754
191: ok 4755
191: ok 4756
191: ok 4757
191: ok 4758
191: ok 4759
191: ok 4760
191: ok 4761
191: ok 4762
191: ok 4763
191: ok 4764
191: ok 4765
191: ok 4766
191: ok 4767
191: ok 4768
191: ok 4769
191: ok 4770
191: ok 4771
191: ok 4772
191: ok 4773
191: ok 4774
191: ok 4775
191: ok 4776
191: ok 4777
191: ok 4778
191: ok 4779
191: ok 4780
191: ok 4781
191: ok 4782
191: ok 4783
191: ok 4784
191: ok 4785
191: ok 4786
191: ok 4787
191: ok 4788
191: ok 4789
191: ok 4790
191: ok 4791
191: ok 4792
191: ok 4793
191: ok 4794
191: ok 4795
191: ok 4796
191: ok 4797
191: ok 4798
191: ok 4799
191: ok 4800
191: ok 4801
191: ok 4802
191: ok 4803
191: ok 4804
191: ok 4805
191: ok 4806
191: ok 4807
191: ok 4808
191: ok 4809
191: ok 4810
191: ok 4811
191: ok 4812
191: ok 4813
191: ok 4814
191: ok 4815
191: ok 4816
191: ok 4817
191: ok 4818
191: ok 4819
191: ok 4820
191: ok 4821
191: ok 4822
191: ok 4823
191: ok 4824
191: ok 4825
191: ok 4826
191: ok 4827
191: ok 4828
191: ok 4829
191: ok 4830
191: ok 4831
191: ok 4832
191: ok 4833
191: ok 4834
191: ok 4835
191: ok 4836
191: ok 4837
191: ok 4838
191: ok 4839
191: ok 4840
191: ok 4841
191: ok 4842
191: ok 4843
191: ok 4844
191: ok 4845
191: ok 4846
191: ok 4847
191: ok 4848
191: ok 4849
191: ok 4850
191: ok 4851
191: ok 4852
191: ok 4853
191: ok 4854
191: ok 4855
191: ok 4856
191: ok 4857
191: ok 4858
191: ok 4859
191: ok 4860
191: ok 4861
191: ok 4862
191: ok 4863
191: ok 4864
191: ok 4865
191: ok 4866
191: ok 4867
191: ok 4868
191: ok 4869
191: ok 4870
191: ok 4871
191: ok 4872
191: ok 4873
191: ok 4874
191: ok 4875
191: ok 4876
191: ok 4877
191: ok 4878
191: ok 4879
191: ok 4880
191: ok 4881
191: ok 4882
191: ok 4883
191: ok 4884
191: ok 4885
191: ok 4886
191: ok 4887
191: ok 4888
191: ok 4889
191: ok 4890
191: ok 4891
191: ok 4892
191: ok 4893
191: ok 4894
191: ok 4895
191: ok 4896
191: ok 4897
191: ok 4898
191: ok 4899
191: ok 4900
191: ok 4901
191: ok 4902
191: ok 4903
191: ok 4904
191: ok 4905
191: ok 4906
191: ok 4907
191: ok 4908
191: ok 4909
191: ok 4910
191: ok 4911
191: ok 4912
191: ok 4913
191: ok 4914
191: ok 4915
191: ok 4916
191: ok 4917
191: ok 4918
191: ok 4919
191: ok 4920
191: ok 4921
191: ok 4922
191: ok 4923
191: ok 4924
191: ok 4925
191: ok 4926
191: ok 4927
191: ok 4928
191: ok 4929
191: ok 4930
191: ok 4931
191: ok 4932
191: ok 4933
191: ok 4934
191: ok 4935
191: ok 4936
191: ok 4937
191: ok 4938
191: ok 4939
191: ok 4940
191: ok 4941
191: ok 4942
191: ok 4943
191: ok 4944
191: ok 4945
191: ok 4946
191: ok 4947
191: ok 4948
191: ok 4949
191: ok 4950
191: ok 4951
191: ok 4952
191: ok 4953
191: ok 4954
191: ok 4955
191: ok 4956
191: ok 4957
191: ok 4958
191: ok 4959
191: ok 4960
191: ok 4961
191: ok 4962
191: ok 4963
191: ok 4964
191: ok 4965
191: ok 4966
191: ok 4967
191: ok 4968
191: ok 4969
191: ok 4970
191: ok 4971
191: ok 4972
191: ok 4973
191: ok 4974
191: ok 4975
191: ok 4976
191: ok 4977
191: ok 4978
191: ok 4979
191: ok 4980
191: ok 4981
191: ok 4982
191: ok 4983
191: ok 4984
191: ok 4985
191: ok 4986
191: ok 4987
191: ok 4988
191: ok 4989
191: ok 4990
191: ok 4991
191: ok 4992
191: ok 4993
191: ok 4994
191: ok 4995
191: ok 4996
191: ok 4997
191: ok 4998
191: ok 4999
191: ok 5000
191: ok 5001
191: ok 5002
191: ok 5003
191: ok 5004
191: ok 5005
191: ok 5006
191: ok 5007
191: ok 5008
191: ok 5009
191: ok 5010
191: ok 5011
191: ok 5012
191: ok 5013
191: ok 5014
191: ok 5015
191: ok 5016
191: ok 5017
191: ok 5018
191: ok 5019
191: ok 5020
191: ok 5021
191: ok 5022
191: ok 5023
191: ok 5024
191: ok 5025
191: ok 5026
191: ok 5027
191: ok 5028
191: ok 5029
191: ok 5030
191: ok 5031
191: ok 5032
191: ok 5033
191: ok 5034
191: ok 5035
191: ok 5036
191: ok 5037
191: ok 5038
191: ok 5039
191: ok 5040
191: ok 5041
191: ok 5042
191: ok 5043
191: ok 5044
191: ok 5045
191: ok 5046
191: ok 5047
191: ok 5048
191: ok 5049
191: ok 5050
191: ok 5051
191: ok 5052
191: ok 5053
191: ok 5054
191: ok 5055
191: ok 5056
191: ok 5057
191: ok 5058
191: ok 5059
191: ok 5060
191: ok 5061
191: ok 5062
191: ok 5063
191: ok 5064
191: ok 5065
191: ok 5066
191: ok 5067
191: ok 5068
191: ok 5069
191: ok 5070
191: ok 5071
191: ok 5072
191: ok 5073
191: ok 5074
191: ok 5075
191: ok 5076
191: ok 5077
191: ok 5078
191: ok 5079
191: ok 5080
191: ok 5081
191: ok 5082
191: ok 5083
191: ok 5084
191: ok 5085
191: ok 5086
191: ok 5087
191: ok 5088
191: ok 5089
191: ok 5090
191: ok 5091
191: ok 5092
191: ok 5093
191: ok 5094
191: ok 5095
191: ok 5096
191: ok 5097
191: ok 5098
191: ok 5099
191: ok 5100
191: ok 5101
191: ok 5102
191: ok 5103
191: ok 5104
191: ok 5105
191: ok 5106
191: ok 5107
191: ok 5108
191: ok 5109
191: ok 5110
191: ok 5111
191: ok 5112
191: ok 5113
191: ok 5114
191: ok 5115
191: ok 5116
191: ok 5117
191: ok 5118
191: ok 5119
191: ok 5120
191: ok 5121
191: ok 5122
191: ok 5123
191: ok 5124
191: ok 5125
191: ok 5126
191: ok 5127
191: ok 5128
191: ok 5129
191: ok 5130
191: ok 5131
191: ok 5132
191: ok 5133
191: ok 5134
191: ok 5135
191: ok 5136
191: ok 5137
191: ok 5138
191: ok 5139
191: ok 5140
191: ok 5141
191: ok 5142
191: ok 5143
191: ok 5144
191: ok 5145
191: ok 5146
191: ok 5147
191: ok 5148
191: ok 5149
191: ok 5150
191: ok 5151
191: ok 5152
191: ok 5153
191: ok 5154
191: ok 5155
191: ok 5156
191: ok 5157
191: ok 5158
191: ok 5159
191: ok 5160
191: ok 5161
191: ok 5162
191: ok 5163
191: ok 5164
191: ok 5165
191: ok 5166
191: ok 5167
191: ok 5168
191: ok 5169
191: ok 5170
191: ok 5171
191: ok 5172
191: ok 5173
191: ok 5174
191: ok 5175
191: ok 5176
191: ok 5177
191: ok 5178
191: ok 5179
191: ok 5180
191: ok 5181
191: ok 5182
191: ok 5183
191: ok 5184
191: ok 5185
191: ok 5186
191: ok 5187
191: ok 5188
191: ok 5189
191: ok 5190
191: ok 5191
191: ok 5192
191: ok 5193
191: ok 5194
191: ok 5195
191: ok 5196
191: ok 5197
191: ok 5198
191: ok 5199
191: ok 5200
191: ok 5201
191: ok 5202
191: ok 5203
191: ok 5204
191: ok 5205
191: ok 5206
191: ok 5207
191: ok 5208
191: ok 5209
191: ok 5210
191: ok 5211
191: ok 5212
191: ok 5213
191: ok 5214
191: ok 5215
191: ok 5216
191: ok 5217
191: ok 5218
191: ok 5219
191: ok 5220
191: ok 5221
191: ok 5222
191: ok 5223
191: ok 5224
191: ok 5225
191: ok 5226
191: ok 5227
191: ok 5228
191: ok 5229
191: ok 5230
191: ok 5231
191: ok 5232
191: ok 5233
191: ok 5234
191: ok 5235
191: ok 5236
191: ok 5237
191: ok 5238
191: ok 5239
191: ok 5240
191: ok 5241
191: ok 5242
191: ok 5243
191: ok 5244
191: ok 5245
191: ok 5246
191: ok 5247
191: ok 5248
191: ok 5249
191: ok 5250
191: ok 5251
191: ok 5252
191: ok 5253
191: ok 5254
191: ok 5255
191: ok 5256
191: ok 5257
191: ok 5258
191: ok 5259
191: ok 5260
191: ok 5261
191: ok 5262
191: ok 5263
191: ok 5264
191: ok 5265
191: ok 5266
191: ok 5267
191: ok 5268
191: ok 5269
191: ok 5270
191: ok 5271
191: ok 5272
191: ok 5273
191: ok 5274
191: ok 5275
191: ok 5276
191: ok 5277
191: ok 5278
191: ok 5279
191: ok 5280
191: ok 5281
191: ok 5282
191: ok 5283
191: ok 5284
191: ok 5285
191: ok 5286
191: ok 5287
191: ok 5288
191: ok 5289
191: ok 5290
191: ok 5291
191: ok 5292
191: ok 5293
191: ok 5294
191: ok 5295
191: ok 5296
191: ok 5297
191: ok 5298
191: ok 5299
191: ok 5300
191: ok 5301
191: ok 5302
191: ok 5303
191: ok 5304
191: ok 5305
191: ok 5306
191: ok 5307
191: ok 5308
191: ok 5309
191: ok 5310
191: ok 5311
191: ok 5312
191: ok 5313
191: ok 5314
191: ok 5315
191: ok 5316
191: ok 5317
191: ok 5318
191: ok 5319
191: ok 5320
191: ok 5321
191: ok 5322
191: ok 5323
191: ok 5324
191: ok 5325
191: ok 5326
191: ok 5327
191: ok 5328
191: ok 5329
191: ok 5330
191: ok 5331
191: ok 5332
191: ok 5333
191: ok 5334
191: ok 5335
191: ok 5336
191: ok 5337
191: ok 5338
191: ok 5339
191: ok 5340
191: ok 5341
191: ok 5342
191: ok 5343
191: ok 5344
191: ok 5345
191: ok 5346
191: ok 5347
191: ok 5348
191: ok 5349
191: ok 5350
191: ok 5351
191: ok 5352
191: ok 5353
191: ok 5354
191: ok 5355
191: ok 5356
191: ok 5357
191: ok 5358
191: ok 5359
191: ok 5360
191: ok 5361
191: ok 5362
191: ok 5363
191: ok 5364
191: ok 5365
191: ok 5366
191: ok 5367
191: ok 5368
191: ok 5369
191: ok 5370
191: ok 5371
191: ok 5372
191: ok 5373
191: ok 5374
191: ok 5375
191: ok 5376
191: ok 5377
191: ok 5378
191: ok 5379
191: ok 5380
191: ok 5381
191: ok 5382
191: ok 5383
191: ok 5384
191: ok 5385
191: ok 5386
191: ok 5387
191: ok 5388
191: ok 5389
191: ok 5390
191: ok 5391
191: ok 5392
191: ok 5393
191: ok 5394
191: ok 5395
191: ok 5396
191: ok 5397
191: ok 5398
191: ok 5399
191: ok 5400
191: ok 5401
191: ok 5402
191: ok 5403
191: ok 5404
191: ok 5405
191: ok 5406
191: ok 5407
191: ok 5408
191: ok 5409
191: ok 5410
191: ok 5411
191: ok 5412
191: ok 5413
191: ok 5414
191: ok 5415
191: ok 5416
191: ok 5417
191: ok 5418
191: ok 5419
191: ok 5420
191: ok 5421
191: ok 5422
191: ok 5423
191: ok 5424
191: ok 5425
191: ok 5426
191: ok 5427
191: ok 5428
191: ok 5429
191: ok 5430
191: ok 5431
191: ok 5432
191: ok 5433
191: ok 5434
191: ok 5435
191: ok 5436
191: ok 5437
191: ok 5438
191: ok 5439
191: ok 5440
191: ok 5441
191: ok 5442
191: ok 5443
191: ok 5444
191: ok 5445
191: ok 5446
191: ok 5447
191: ok 5448
191: ok 5449
191: ok 5450
191: ok 5451
191: ok 5452
191: ok 5453
191: ok 5454
191: ok 5455
191: ok 5456
191: ok 5457
191: ok 5458
191: ok 5459
191: ok 5460
191: ok 5461
191: ok 5462
191: ok 5463
191: ok 5464
191: ok 5465
191: ok 5466
191: ok 5467
191: ok 5468
191: ok 5469
191: ok 5470
191: ok 5471
191: ok 5472
191: ok 5473
191: ok 5474
191: ok 5475
191: ok 5476
191: ok 5477
191: ok 5478
191: ok 5479
191: ok 5480
191: ok 5481
191: ok 5482
191: ok 5483
191: ok 5484
191: ok 5485
191: ok 5486
191: ok 5487
191: ok 5488
191: ok 5489
191: ok 5490
191: ok 5491
191: ok 5492
191: ok 5493
191: ok 5494
191: ok 5495
191: ok 5496
191: ok 5497
191: ok 5498
191: ok 5499
191: ok 5500
191: ok 5501
191: ok 5502
191: ok 5503
191: ok 5504
191: ok 5505
191: ok 5506
191: ok 5507
191: ok 5508
191: ok 5509
191: ok 5510
191: ok 5511
191: ok 5512
191: ok 5513
191: ok 5514
191: ok 5515
191: ok 5516
191: ok 5517
191: ok 5518
191: ok 5519
191: ok 5520
191: ok 5521
191: ok 5522
191: ok 5523
191: ok 5524
191: ok 5525
191: ok 5526
191: ok 5527
191: ok 5528
191: ok 5529
191: ok 5530
191: ok 5531
191: ok 5532
191: ok 5533
191: ok 5534
191: ok 5535
191: ok 5536
191: ok 5537
191: ok 5538
191: ok 5539
191: ok 5540
191: ok 5541
191: ok 5542
191: ok 5543
191: ok 5544
191: ok 5545
191: ok 5546
191: ok 5547
191: ok 5548
191: ok 5549
191: ok 5550
191: ok 5551
191: ok 5552
191: ok 5553
191: ok 5554
191: ok 5555
191: ok 5556
191: ok 5557
191: ok 5558
191: ok 5559
191: ok 5560
191: ok 5561
191: ok 5562
191: ok 5563
191: ok 5564
191: ok 5565
191: ok 5566
191: ok 5567
191: ok 5568
191: ok 5569
191: ok 5570
191: ok 5571
191: ok 5572
191: ok 5573
191: ok 5574
191: ok 5575
191: ok 5576
191: ok 5577
191: ok 5578
191: ok 5579
191: ok 5580
191: ok 5581
191: ok 5582
191: ok 5583
191: ok 5584
191: ok 5585
191: ok 5586
191: ok 5587
191: ok 5588
191: ok 5589
191: ok 5590
191: ok 5591
191: ok 5592
191: ok 5593
191: ok 5594
191: ok 5595
191: ok 5596
191: ok 5597
191: ok 5598
191: ok 5599
191: ok 5600
191: ok 5601
191: ok 5602
191: ok 5603
191: ok 5604
191: ok 5605
191: ok 5606
191: ok 5607
191: ok 5608
191: ok 5609
191: ok 5610
191: ok 5611
191: ok 5612
191: ok 5613
191: ok 5614
191: ok 5615
191: ok 5616
191: ok 5617
191: ok 5618
191: ok 5619
191: ok 5620
191: ok 5621
191: ok 5622
191: ok 5623
191: ok 5624
191: ok 5625
191: ok 5626
191: ok 5627
191: ok 5628
191: ok 5629
191: ok 5630
191: ok 5631
191: ok 5632
191: ok 5633
191: ok 5634
191: ok 5635
191: ok 5636
191: ok 5637
191: ok 5638
191: ok 5639
191: ok 5640
191: ok 5641
191: ok 5642
191: ok 5643
191: ok 5644
191: ok 5645
191: ok 5646
191: ok 5647
191: ok 5648
191: ok 5649
191: ok 5650
191: ok 5651
191: ok 5652
191: ok 5653
191: ok 5654
191: ok 5655
191: ok 5656
191: ok 5657
191: ok 5658
191: ok 5659
191: ok 5660
191: ok 5661
191: ok 5662
191: ok 5663
191: ok 5664
191: ok 5665
191: ok 5666
191: ok 5667
191: ok 5668
191: ok 5669
191: ok 5670
191: ok 5671
191: ok 5672
191: ok 5673
191: ok 5674
191: ok 5675
191: ok 5676
191: ok 5677
191: ok 5678
191: ok 5679
191: ok 5680
191: ok 5681
191: ok 5682
191: ok 5683
191: ok 5684
191: ok 5685
191: ok 5686
191: ok 5687
191: ok 5688
191: ok 5689
191: ok 5690
191: ok 5691
191: ok 5692
191: ok 5693
191: ok 5694
191: ok 5695
191: ok 5696
191: ok 5697
191: ok 5698
191: ok 5699
191: ok 5700
191: ok 5701
191: ok 5702
191: ok 5703
191: ok 5704
191: ok 5705
191: ok 5706
191: ok 5707
191: ok 5708
191: ok 5709
191: ok 5710
191: ok 5711
191: ok 5712
191: ok 5713
191: ok 5714
191: ok 5715
191: ok 5716
191: ok 5717
191: ok 5718
191: ok 5719
191: ok 5720
191: ok 5721
191: ok 5722
191: ok 5723
191: ok 5724
191: ok 5725
191: ok 5726
191: ok 5727
191: ok 5728
191: ok 5729
191: ok 5730
191: ok 5731
191: ok 5732
191: ok 5733
191: ok 5734
191: ok 5735
191: ok 5736
191: ok 5737
191: ok 5738
191: ok 5739
191: ok 5740
191: ok 5741
191: ok 5742
191: ok 5743
191: ok 5744
191: ok 5745
191: ok 5746
191: ok 5747
191: ok 5748
191: ok 5749
191: ok 5750
191: ok 5751
191: ok 5752
191: ok 5753
191: ok 5754
191: ok 5755
191: ok 5756
191: ok 5757
191: ok 5758
191: ok 5759
191: ok 5760
191: ok 5761
191: ok 5762
191: ok 5763
191: ok 5764
191: ok 5765
191: ok 5766
191: ok 5767
191: ok 5768
191: ok 5769
191: ok 5770
191: ok 5771
191: ok 5772
191: ok 5773
191: ok 5774
191: ok 5775
191: ok 5776
191: ok 5777
191: ok 5778
191: ok 5779
191: ok 5780
191: ok 5781
191: ok 5782
191: ok 5783
191: ok 5784
191: ok 5785
191: ok 5786
191: ok 5787
191: ok 5788
191: ok 5789
191: ok 5790
191: ok 5791
191: ok 5792
191: ok 5793
191: ok 5794
191: ok 5795
191: ok 5796
191: ok 5797
191: ok 5798
191: ok 5799
191: ok 5800
191: ok 5801
191: ok 5802
191: ok 5803
191: ok 5804
191: ok 5805
191: ok 5806
191: ok 5807
191: ok 5808
191: ok 5809
191: ok 5810
191: ok 5811
191: ok 5812
191: ok 5813
191: ok 5814
191: ok 5815
191: ok 5816
191: ok 5817
191: ok 5818
191: ok 5819
191: ok 5820
191: ok 5821
191: ok 5822
191: ok 5823
191: ok 5824
191: ok 5825
191: ok 5826
191: ok 5827
191: ok 5828
191: ok 5829
191: ok 5830
191: ok 5831
191: ok 5832
191: ok 5833
191: ok 5834
191: ok 5835
191: ok 5836
191: ok 5837
191: ok 5838
191: ok 5839
191: ok 5840
191: ok 5841
191: ok 5842
191: ok 5843
191: ok 5844
191: ok 5845
191: ok 5846
191: ok 5847
191: ok 5848
191: ok 5849
191: ok 5850
191: ok 5851
191: ok 5852
191: ok 5853
191: ok 5854
191: ok 5855
191: ok 5856
191: ok 5857
191: ok 5858
191: ok 5859
191: ok 5860
191: ok 5861
191: ok 5862
191: ok 5863
191: ok 5864
191: ok 5865
191: ok 5866
191: ok 5867
191: ok 5868
191: ok 5869
191: ok 5870
191: ok 5871
191: ok 5872
191: ok 5873
191: ok 5874
191: ok 5875
191: ok 5876
191: ok 5877
191: ok 5878
191: ok 5879
191: ok 5880
191: ok 5881
191: ok 5882
191: ok 5883
191: ok 5884
191: ok 5885
191: ok 5886
191: ok 5887
191: ok 5888
191: ok 5889
191: ok 5890
191: ok 5891
191: ok 5892
191: ok 5893
191: ok 5894
191: ok 5895
191: ok 5896
191: ok 5897
191: ok 5898
191: ok 5899
191: ok 5900
191: ok 5901
191: ok 5902
191: ok 5903
191: ok 5904
191: ok 5905
191: ok 5906
191: ok 5907
191: ok 5908
191: ok 5909
191: ok 5910
191: ok 5911
191: ok 5912
191: ok 5913
191: ok 5914
191: ok 5915
191: ok 5916
191: ok 5917
191: ok 5918
191: ok 5919
191: ok 5920
191: ok 5921
191: ok 5922
191: ok 5923
191: ok 5924
191: ok 5925
191: ok 5926
191: ok 5927
191: ok 5928
191: ok 5929
191: ok 5930
191: ok 5931
191: ok 5932
191: ok 5933
191: ok 5934
191: ok 5935
191: ok 5936
191: ok 5937
191: ok 5938
191: ok 5939
191: ok 5940
191: ok 5941
191: ok 5942
191: ok 5943
191: ok 5944
191: ok 5945
191: ok 5946
191: ok 5947
191: ok 5948
191: ok 5949
191: ok 5950
191: ok 5951
191: ok 5952
191: ok 5953
191: ok 5954
191: ok 5955
191: ok 5956
191: ok 5957
191: ok 5958
191: ok 5959
191: ok 5960
191: ok 5961
191: ok 5962
191: ok 5963
191: ok 5964
191: ok 5965
191: ok 5966
191: ok 5967
191: ok 5968
191: ok 5969
191: ok 5970
191: ok 5971
191: ok 5972
191: ok 5973
191: ok 5974
191: ok 5975
191: ok 5976
191: ok 5977
191: ok 5978
191: ok 5979
191: ok 5980
191: ok 5981
191: ok 5982
191: ok 5983
191: ok 5984
191: ok 5985
191: ok 5986
191: ok 5987
191: ok 5988
191: ok 5989
191: ok 5990
191: ok 5991
191: ok 5992
191: ok 5993
191: ok 5994
191: ok 5995
191: ok 5996
191: ok 5997
191: ok 5998
191: ok 5999
191: ok 6000
191: ok 6001
191: ok 6002
191: ok 6003
191: ok 6004
191: ok 6005
191: ok 6006
191: ok 6007
191: ok 6008
191: ok 6009
191: ok 6010
191: ok 6011
191: ok 6012
191: ok 6013
191: ok 6014
191: ok 6015
191: ok 6016
191: ok 6017
191: ok 6018
191: ok 6019
191: ok 6020
191: ok 6021
191: ok 6022
191: ok 6023
191: ok 6024
191: ok 6025
191: ok 6026
191: ok 6027
191: ok 6028
191: ok 6029
191: ok 6030
191: ok 6031
191: ok 6032
191: ok 6033
191: ok 6034
191: ok 6035
191: ok 6036
191: ok 6037
191: ok 6038
191: ok 6039
191: ok 6040
191: ok 6041
191: ok 6042
191: ok 6043
191: ok 6044
191: ok 6045
191: ok 6046
191: ok 6047
191: ok 6048
191: ok 6049
191: ok 6050
191: ok 6051
191: ok 6052
191: ok 6053
191: ok 6054
191: ok 6055
191: ok 6056
191: ok 6057
191: ok 6058
191: ok 6059
191: ok 6060
191: ok 6061
191: ok 6062
191: ok 6063
191: ok 6064
191: ok 6065
191: ok 6066
191: ok 6067
191: ok 6068
191: ok 6069
191: ok 6070
191: ok 6071
191: ok 6072
191: ok 6073
191: ok 6074
191: ok 6075
191: ok 6076
191: ok 6077
191: ok 6078
191: ok 6079
191: ok 6080
191: ok 6081
191: ok 6082
191: ok 6083
191: ok 6084
191: ok 6085
191: ok 6086
191: ok 6087
191: ok 6088
191: ok 6089
191: ok 6090
191: ok 6091
191: ok 6092
191: ok 6093
191: ok 6094
191: ok 6095
191: ok 6096
191: ok 6097
191: ok 6098
191: ok 6099
191: ok 6100
191: ok 6101
191: ok 6102
191: ok 6103
191: ok 6104
191: ok 6105
191: ok 6106
191: ok 6107
191: ok 6108
191: ok 6109
191: ok 6110
191: ok 6111
191: ok 6112
191: ok 6113
191: ok 6114
191: ok 6115
191: ok 6116
191: ok 6117
191: ok 6118
191: ok 6119
191: ok 6120
191: ok 6121
191: ok 6122
191: ok 6123
191: ok 6124
191: ok 6125
191: ok 6126
191: ok 6127
191: ok 6128
191: ok 6129
191: ok 6130
191: ok 6131
191: ok 6132
191: ok 6133
191: ok 6134
191: ok 6135
191: ok 6136
191: ok 6137
191: ok 6138
191: ok 6139
191: ok 6140
191: ok 6141
191: ok 6142
191: ok 6143
191: ok 6144
191: ok 6145
191: ok 6146
191: ok 6147
191: ok 6148
191: ok 6149
191: ok 6150
191: ok 6151
191: ok 6152
191: ok 6153
191: ok 6154
191: ok 6155
191: ok 6156
191: ok 6157
191: ok 6158
191: ok 6159
191: ok 6160
191: ok 6161
191: ok 6162
191: ok 6163
191: ok 6164
191: ok 6165
191: ok 6166
191: ok 6167
191: ok 6168
191: ok 6169
191: ok 6170
191: ok 6171
191: ok 6172
191: ok 6173
191: ok 6174
191: ok 6175
191: ok 6176
191: ok 6177
191: ok 6178
191: ok 6179
191: ok 6180
191: ok 6181
191: ok 6182
191: ok 6183
191: ok 6184
191: ok 6185
191: ok 6186
191: ok 6187
191: ok 6188
191: ok 6189
191: ok 6190
191: ok 6191
191: ok 6192
191: ok 6193
191: ok 6194
191: ok 6195
191: ok 6196
191: ok 6197
191: ok 6198
191: ok 6199
191: ok 6200
191: ok 6201
191: ok 6202
191: ok 6203
191: ok 6204
191: ok 6205
191: ok 6206
191: ok 6207
191: ok 6208
191: ok 6209
191: ok 6210
191: ok 6211
191: ok 6212
191: ok 6213
191: ok 6214
191: ok 6215
191: ok 6216
191: ok 6217
191: ok 6218
191: ok 6219
191: ok 6220
191: ok 6221
191: ok 6222
191: ok 6223
191: ok 6224
191: ok 6225
191: ok 6226
191: ok 6227
191: ok 6228
191: ok 6229
191: ok 6230
191: ok 6231
191: ok 6232
191: ok 6233
191: ok 6234
191: ok 6235
191: ok 6236
191: ok 6237
191: ok 6238
191: ok 6239
191: ok 6240
191: ok 6241
191: ok 6242
191: ok 6243
191: ok 6244
191: ok 6245
191: ok 6246
191: ok 6247
191: ok 6248
191: ok 6249
191: ok 6250
191: ok 6251
191: ok 6252
191: ok 6253
191: ok 6254
191: ok 6255
191: ok 6256
191: ok 6257
191: ok 6258
191: ok 6259
191: ok 6260
191: ok 6261
191: ok 6262
191: ok 6263
191: ok 6264
191: ok 6265
191: ok 6266
191: ok 6267
191: ok 6268
191: ok 6269
191: ok 6270
191: ok 6271
191: ok 6272
191: ok 6273
191: ok 6274
191: ok 6275
191: ok 6276
191: ok 6277
191: ok 6278
191: ok 6279
191: ok 6280
191: ok 6281
191: ok 6282
191: ok 6283
191: ok 6284
191: ok 6285
191: ok 6286
191: ok 6287
191: ok 6288
191: ok 6289
191: ok 6290
191: ok 6291
191: ok 6292
191: ok 6293
191: ok 6294
191: ok 6295
191: ok 6296
191: ok 6297
191: ok 6298
191: ok 6299
191: ok 6300
191: ok 6301
191: ok 6302
191: ok 6303
191: ok 6304
191: ok 6305
191: ok 6306
191: ok 6307
191: ok 6308
191: ok 6309
191: ok 6310
191: ok 6311
191: ok 6312
191: ok 6313
191: ok 6314
191: ok 6315
191: ok 6316
191: ok 6317
191: ok 6318
191: ok 6319
191: ok 6320
191: ok 6321
191: ok 6322
191: ok 6323
191: ok 6324
191: ok 6325
191: ok 6326
191: ok 6327
191: ok 6328
191: ok 6329
191: ok 6330
191: ok 6331
191: ok 6332
191: ok 6333
191: ok 6334
191: ok 6335
191: ok 6336
191: ok 6337
191: ok 6338
191: ok 6339
191: ok 6340
191: ok 6341
191: ok 6342
191: ok 6343
191: ok 6344
191: ok 6345
191: ok 6346
191: ok 6347
191: ok 6348
191: ok 6349
191: ok 6350
191: ok 6351
191: ok 6352
191: ok 6353
191: ok 6354
191: ok 6355
191: ok 6356
191: ok 6357
191: ok 6358
191: ok 6359
191: ok 6360
191: ok 6361
191: ok 6362
191: ok 6363
191: ok 6364
191: ok 6365
191: ok 6366
191: ok 6367
191: ok 6368
191: ok 6369
191: ok 6370
191: ok 6371
191: ok 6372
191: ok 6373
191: ok 6374
191: ok 6375
191: ok 6376
191: ok 6377
191: ok 6378
191: ok 6379
191: ok 6380
191: ok 6381
191: ok 6382
191: ok 6383
191: ok 6384
191: ok 6385
191: ok 6386
191: ok 6387
191: ok 6388
191: ok 6389
191: ok 6390
191: ok 6391
191: ok 6392
191: ok 6393
191: ok 6394
191: ok 6395
191: ok 6396
191: ok 6397
191: ok 6398
191: ok 6399
191: ok 6400
191: ok 6401
191: ok 6402
191: ok 6403
191: ok 6404
191: ok 6405
191: ok 6406
191: ok 6407
191: ok 6408
191: ok 6409
191: ok 6410
191: ok 6411
191: ok 6412
191: ok 6413
191: ok 6414
191: ok 6415
191: ok 6416
191: ok 6417
191: ok 6418
191: ok 6419
191: ok 6420
191: ok 6421
191: ok 6422
191: ok 6423
191: ok 6424
191: ok 6425
191: ok 6426
191: ok 6427
191: ok 6428
191: ok 6429
191: ok 6430
191: ok 6431
191: ok 6432
191: ok 6433
191: ok 6434
191: ok 6435
191: ok 6436
191: ok 6437
191: ok 6438
191: ok 6439
191: ok 6440
191: ok 6441
191: ok 6442
191: ok 6443
191: ok 6444
191: ok 6445
191: ok 6446
191: ok 6447
191: ok 6448
191: ok 6449
191: ok 6450
191: ok 6451
191: ok 6452
191: ok 6453
191: ok 6454
191: ok 6455
191: ok 6456
191: ok 6457
191: ok 6458
191: ok 6459
191: ok 6460
191: ok 6461
191: ok 6462
191: ok 6463
191: ok 6464
191: ok 6465
191: ok 6466
191: ok 6467
191: ok 6468
191: ok 6469
191: ok 6470
191: ok 6471
191: ok 6472
191: ok 6473
191: ok 6474
191: ok 6475
191: ok 6476
191: ok 6477
191: ok 6478
191: ok 6479
191: ok 6480
191: ok 6481
191: ok 6482
191: ok 6483
191: ok 6484
191: ok 6485
191: ok 6486
191: ok 6487
191: ok 6488
191: ok 6489
191: ok 6490
191: ok 6491
191: ok 6492
191: ok 6493
191: ok 6494
191: ok 6495
191: ok 6496
191: ok 6497
191: ok 6498
191: ok 6499
191: ok 6500
191: ok 6501
191: ok 6502
191: ok 6503
191: ok 6504
191: ok 6505
191: ok 6506
191: ok 6507
191: ok 6508
191: ok 6509
191: ok 6510
191: ok 6511
191: ok 6512
191: ok 6513
191: ok 6514
191: ok 6515
191: ok 6516
191: ok 6517
191: ok 6518
191: ok 6519
191: ok 6520
191: ok 6521
191: ok 6522
191: ok 6523
191: ok 6524
191: ok 6525
191: ok 6526
191: ok 6527
191: ok 6528
191: ok 6529
191: ok 6530
191: ok 6531
191: ok 6532
191: ok 6533
191: ok 6534
191: ok 6535
191: ok 6536
191: ok 6537
191: ok 6538
191: ok 6539
191: ok 6540
191: ok 6541
191: ok 6542
191: ok 6543
191: ok 6544
191: ok 6545
191: ok 6546
191: ok 6547
191: ok 6548
191: ok 6549
191: ok 6550
191: ok 6551
191: ok 6552
191: ok 6553
191: ok 6554
191: ok 6555
191: ok 6556
191: ok 6557
191: ok 6558
191: ok 6559
191: ok 6560
191: ok 6561
191: ok 6562
191: ok 6563
191: ok 6564
191: ok 6565
191: ok 6566
191: ok 6567
191: ok 6568
191: ok 6569
191: ok 6570
191: ok 6571
191: ok 6572
191: ok 6573
191: ok 6574
191: ok 6575
191: ok 6576
191: ok 6577
191: ok 6578
191: ok 6579
191: ok 6580
191: ok 6581
191: ok 6582
191: ok 6583
191: ok 6584
191: ok 6585
191: ok 6586
191: ok 6587
191: ok 6588
191: ok 6589
191: ok 6590
191: ok 6591
191: ok 6592
191: ok 6593
191: ok 6594
191: ok 6595
191: ok 6596
191: ok 6597
191: ok 6598
191: ok 6599
191: ok 6600
191: ok 6601
191: ok 6602
191: ok 6603
191: ok 6604
191: ok 6605
191: ok 6606
191: ok 6607
191: ok 6608
191: ok 6609
191: ok 6610
191: ok 6611
191: ok 6612
191: ok 6613
191: ok 6614
191: ok 6615
191: ok 6616
191: ok 6617
191: ok 6618
191: ok 6619
191: ok 6620
191: ok 6621
191: ok 6622
191: ok 6623
191: ok 6624
191: ok 6625
191: ok 6626
191: ok 6627
191: ok 6628
191: ok 6629
191: ok 6630
191: ok 6631
191: ok 6632
191: ok 6633
191: ok 6634
191: ok 6635
191: ok 6636
191: ok 6637
191: ok 6638
191: ok 6639
191: ok 6640
191: ok 6641
191: ok 6642
191: ok 6643
191: ok 6644
191: ok 6645
191: ok 6646
191: ok 6647
191: ok 6648
191: ok 6649
191: ok 6650
191: ok 6651
191: ok 6652
191: ok 6653
191: ok 6654
191: ok 6655
191: ok 6656
191: ok 6657
191: ok 6658
191: ok 6659
191: ok 6660
191: ok 6661
191: ok 6662
191: ok 6663
191: ok 6664
191: ok 6665
191: ok 6666
191: ok 6667
191: ok 6668
191: ok 6669
191: ok 6670
191: ok 6671
191: ok 6672
191: ok 6673
191: ok 6674
191: ok 6675
191: ok 6676
191: ok 6677
191: ok 6678
191: ok 6679
191: ok 6680
191: ok 6681
191: ok 6682
191: ok 6683
191: ok 6684
191: ok 6685
191: ok 6686
191: ok 6687
191: ok 6688
191: ok 6689
191: ok 6690
191: ok 6691
191: ok 6692
191: ok 6693
191: ok 6694
191: ok 6695
191: ok 6696
191: ok 6697
191: ok 6698
191: ok 6699
191: ok 6700
191: ok 6701
191: ok 6702
191: ok 6703
191: ok 6704
191: ok 6705
191: ok 6706
191: ok 6707
191: ok 6708
191: ok 6709
191: ok 6710
191: ok 6711
191: ok 6712
191: ok 6713
191: ok 6714
191: ok 6715
191: ok 6716
191: ok 6717
191: ok 6718
191: ok 6719
191: ok 6720
191: ok 6721
191: ok 6722
191: ok 6723
191: ok 6724
191: ok 6725
191: ok 6726
191: ok 6727
191: ok 6728
191: ok 6729
191: ok 6730
191: ok 6731
191: ok 6732
191: ok 6733
191: ok 6734
191: ok 6735
191: ok 6736
191: ok 6737
191: ok 6738
191: ok 6739
191: ok 6740
191: ok 6741
191: ok 6742
191: ok 6743
191: ok 6744
191: ok 6745
191: ok 6746
191: ok 6747
191: ok 6748
191: ok 6749
191: ok 6750
191: ok 6751
191: ok 6752
191: ok 6753
191: ok 6754
191: ok 6755
191: ok 6756
191: ok 6757
191: ok 6758
191: ok 6759
191: ok 6760
191: ok 6761
191: ok 6762
191: ok 6763
191: ok 6764
191: ok 6765
191: ok 6766
191: ok 6767
191: ok 6768
191: ok 6769
191: ok 6770
191: ok 6771
191: ok 6772
191: ok 6773
191: ok 6774
191: ok 6775
191: ok 6776
191: ok 6777
191: ok 6778
191: ok 6779
191: ok 6780
191: ok 6781
191: ok 6782
191: ok 6783
191: ok 6784
191: ok 6785
191: ok 6786
191: ok 6787
191: ok 6788
191: ok 6789
191: ok 6790
191: ok 6791
191: ok 6792
191: ok 6793
191: ok 6794
191: ok 6795
191: ok 6796
191: ok 6797
191: ok 6798
191: ok 6799
191: ok 6800
191: ok 6801
191: ok 6802
191: ok 6803
191: ok 6804
191: ok 6805
191: ok 6806
191: ok 6807
191: ok 6808
191: ok 6809
191: ok 6810
191: ok 6811
191: ok 6812
191: ok 6813
191: ok 6814
191: ok 6815
191: ok 6816
191: ok 6817
191: ok 6818
191: ok 6819
191: ok 6820
191: ok 6821
191: ok 6822
191: ok 6823
191: ok 6824
191: ok 6825
191: ok 6826
191: ok 6827
191: ok 6828
191: ok 6829
191: ok 6830
191: ok 6831
191: ok 6832
191: ok 6833
191: ok 6834
191: ok 6835
191: ok 6836
191: ok 6837
191: ok 6838
191: ok 6839
191: ok 6840
191: ok 6841
191: ok 6842
191: ok 6843
191: ok 6844
191: ok 6845
191: ok 6846
191: ok 6847
191: ok 6848
191: ok 6849
191: ok 6850
191: ok 6851
191: ok 6852
191: ok 6853
191: ok 6854
191: ok 6855
191: ok 6856
191: ok 6857
191: ok 6858
191: ok 6859
191: ok 6860
191: ok 6861
191: ok 6862
191: ok 6863
191: ok 6864
191: ok 6865
191: ok 6866
191: ok 6867
191: ok 6868
191: ok 6869
191: ok 6870
191: ok 6871
191: ok 6872
191: ok 6873
191: ok 6874
191: ok 6875
191: ok 6876
191: ok 6877
191: ok 6878
191: ok 6879
191: ok 6880
191: ok 6881
191: ok 6882
191: ok 6883
191: ok 6884
191: ok 6885
191: ok 6886
191: ok 6887
191: ok 6888
191: ok 6889
191: ok 6890
191: ok 6891
191: ok 6892
191: ok 6893
191: ok 6894
191: ok 6895
191: ok 6896
191: ok 6897
191: ok 6898
191: ok 6899
191: ok 6900
191: ok 6901
191: ok 6902
191: ok 6903
191: ok 6904
191: ok 6905
191: ok 6906
191: ok 6907
191: ok 6908
191: ok 6909
191: ok 6910
191: ok 6911
191: ok 6912
191: ok 6913
191: ok 6914
191: ok 6915
191: ok 6916
191: ok 6917
191: ok 6918
191: ok 6919
191: ok 6920
191: ok 6921
191: ok 6922
191: ok 6923
191: ok 6924
191: ok 6925
191: ok 6926
191: ok 6927
191: ok 6928
191: ok 6929
191: ok 6930
191: ok 6931
191: ok 6932
191: ok 6933
191: ok 6934
191: ok 6935
191: ok 6936
191: ok 6937
191: ok 6938
191: ok 6939
191: ok 6940
191: ok 6941
191: ok 6942
191: ok 6943
191: ok 6944
191: ok 6945
191: ok 6946
191: ok 6947
191: ok 6948
191: ok 6949
191: ok 6950
191: ok 6951
191: ok 6952
191: ok 6953
191: ok 6954
191: ok 6955
191: ok 6956
191: ok 6957
191: ok 6958
191: ok 6959
191: ok 6960
191: ok 6961
191: ok 6962
191: ok 6963
191: ok 6964
191: ok 6965
191: ok 6966
191: ok 6967
191: ok 6968
191: ok 6969
191: ok 6970
191: ok 6971
191: ok 6972
191: ok 6973
191: ok 6974
191: ok 6975
191: ok 6976
191: ok 6977
191: ok 6978
191: ok 6979
191: ok 6980
191: ok 6981
191: ok 6982
191: ok 6983
191: ok 6984
191: ok 6985
191: ok 6986
191: ok 6987
191: ok 6988
191: ok 6989
191: ok 6990
191: ok 6991
191: ok 6992
191: ok 6993
191: ok 6994
191: ok 6995
191: ok 6996
191: ok 6997
191: ok 6998
191: ok 6999
191: ok 7000
191: ok 7001
191: ok 7002
191: ok 7003
191: ok 7004
191: ok 7005
191: ok 7006
191: ok 7007
191: ok 7008
191: ok 7009
191: ok 7010
191: ok 7011
191: ok 7012
191: ok 7013
191: ok 7014
191: ok 7015
191: ok 7016
191: ok 7017
191: ok 7018
191: ok 7019
191: ok 7020
191: ok 7021
191: ok 7022
191: ok 7023
191: ok 7024
191: ok 7025
191: ok 7026
191: ok 7027
191: ok 7028
191: ok 7029
191: ok 7030
191: ok 7031
191: ok 7032
191: ok 7033
191: ok 7034
191: ok 7035
191: ok 7036
191: ok 7037
191: ok 7038
191: ok 7039
191: ok 7040
191: ok 7041
191: ok 7042
191: ok 7043
191: ok 7044
191: ok 7045
191: ok 7046
191: ok 7047
191: ok 7048
191: ok 7049
191: ok 7050
191: ok 7051
191: ok 7052
191: ok 7053
191: ok 7054
191: ok 7055
191: ok 7056
191: ok 7057
191: ok 7058
191: ok 7059
191: ok 7060
191: ok 7061
191: ok 7062
191: ok 7063
191: ok 7064
191: ok 7065
191: ok 7066
191: ok 7067
191: ok 7068
191: ok 7069
191: ok 7070
191: ok 7071
191: ok 7072
191: ok 7073
191: ok 7074
191: ok 7075
191: ok 7076
191: ok 7077
191: ok 7078
191: ok 7079
191: ok 7080
191: ok 7081
191: ok 7082
191: ok 7083
191: ok 7084
191: ok 7085
191: ok 7086
191: ok 7087
191: ok 7088
191: ok 7089
191: ok 7090
191: ok 7091
191: ok 7092
191: ok 7093
191: ok 7094
191: ok 7095
191: ok 7096
191: ok 7097
191: ok 7098
191: ok 7099
191: ok 7100
191: ok 7101
191: ok 7102
191: ok 7103
191: ok 7104
191: ok 7105
191: ok 7106
191: ok 7107
191: ok 7108
191: ok 7109
191: ok 7110
191: ok 7111
191: ok 7112
191: ok 7113
191: ok 7114
191: ok 7115
191: ok 7116
191: ok 7117
191: ok 7118
191: ok 7119
191: ok 7120
191: ok 7121
191: ok 7122
191: ok 7123
191: ok 7124
191: ok 7125
191: ok 7126
191: ok 7127
191: ok 7128
191: ok 7129
191: ok 7130
191: ok 7131
191: ok 7132
191: ok 7133
191: ok 7134
191: ok 7135
191: ok 7136
191: ok 7137
191: ok 7138
191: ok 7139
191: ok 7140
191: ok 7141
191: ok 7142
191: ok 7143
191: ok 7144
191: ok 7145
191: ok 7146
191: ok 7147
191: ok 7148
191: ok 7149
191: ok 7150
191: ok 7151
191: ok 7152
191: ok 7153
191: ok 7154
191: ok 7155
191: ok 7156
191: ok 7157
191: ok 7158
191: ok 7159
191: ok 7160
191: ok 7161
191: ok 7162
191: ok 7163
191: ok 7164
191: ok 7165
191: ok 7166
191: ok 7167
191: ok 7168
191: ok 7169
191: ok 7170
191: ok 7171
191: ok 7172
191: ok 7173
191: ok 7174
191: ok 7175
191: ok 7176
191: ok 7177
191: ok 7178
191: ok 7179
191: ok 7180
191: ok 7181
191: ok 7182
191: ok 7183
191: ok 7184
191: ok 7185
191: ok 7186
191: ok 7187
191: ok 7188
191: ok 7189
191: ok 7190
191: ok 7191
191: ok 7192
191: ok 7193
191: ok 7194
191: ok 7195
191: ok 7196
191: ok 7197
191: ok 7198
191: ok 7199
191: ok 7200
191: ok 7201
191: ok 7202
191: ok 7203
191: ok 7204
191: ok 7205
191: ok 7206
191: ok 7207
191: ok 7208
191: ok 7209
191: ok 7210
191: ok 7211
191: ok 7212
191: ok 7213
191: ok 7214
191: ok 7215
191: ok 7216
191: ok 7217
191: ok 7218
191: ok 7219
191: ok 7220
191: ok 7221
191: ok 7222
191: ok 7223
191: ok 7224
191: ok 7225
191: ok 7226
191: ok 7227
191: ok 7228
191: ok 7229
191: ok 7230
191: ok 7231
191: ok 7232
191: ok 7233
191: ok 7234
191: ok 7235
191: ok 7236
191: ok 7237
191: ok 7238
191: ok 7239
191: ok 7240
191: ok 7241
191: ok 7242
191: ok 7243
191: ok 7244
191: ok 7245
191: ok 7246
191: ok 7247
191: ok 7248
191: ok 7249
191: ok 7250
191: ok 7251
191: ok 7252
191: ok 7253
191: ok 7254
191: ok 7255
191: ok 7256
191: ok 7257
191: ok 7258
191: ok 7259
191: ok 7260
191: ok 7261
191: ok 7262
191: ok 7263
191: ok 7264
191: ok 7265
191: ok 7266
191: ok 7267
191: ok 7268
191: ok 7269
191: ok 7270
191: ok 7271
191: ok 7272
191: ok 7273
191: ok 7274
191: ok 7275
191: ok 7276
191: ok 7277
191: ok 7278
191: ok 7279
191: ok 7280
191: ok 7281
191: ok 7282
191: ok 7283
191: ok 7284
191: ok 7285
191: ok 7286
191: ok 7287
191: ok 7288
191: ok 7289
191: ok 7290
191: ok 7291
191: ok 7292
191: ok 7293
191: ok 7294
191: ok 7295
191: ok 7296
191: ok 7297
191: ok 7298
191: ok 7299
191: ok 7300
191: ok 7301
191: ok 7302
191: ok 7303
191: ok 7304
191: ok 7305
191: ok 7306
191: ok 7307
191: ok 7308
191: ok 7309
191: ok 7310
191: ok 7311
191: ok 7312
191: ok 7313
191: ok 7314
191: ok 7315
191: ok 7316
191: ok 7317
191: ok 7318
191: ok 7319
191: ok 7320
191: ok 7321
191: ok 7322
191: ok 7323
191: ok 7324
191: ok 7325
191: ok 7326
191: ok 7327
191: ok 7328
191: ok 7329
191: ok 7330
191: ok 7331
191: ok 7332
191: ok 7333
191: ok 7334
191: ok 7335
191: ok 7336
191: ok 7337
191: ok 7338
191: ok 7339
191: ok 7340
191: ok 7341
191: ok 7342
191: ok 7343
191: ok 7344
191: ok 7345
191: ok 7346
191: ok 7347
191: ok 7348
191: ok 7349
191: ok 7350
191: ok 7351
191: ok 7352
191: ok 7353
191: ok 7354
191: ok 7355
191: ok 7356
191: ok 7357
191: ok 7358
191: ok 7359
191: ok 7360
191: ok 7361
191: ok 7362
191: ok 7363
191: ok 7364
191: ok 7365
191: ok 7366
191: ok 7367
191: ok 7368
191: ok 7369
191: ok 7370
191: ok 7371
191: ok 7372
191: ok 7373
191: ok 7374
191: ok 7375
191: ok 7376
191: ok 7377
191: ok 7378
191: ok 7379
191: ok 7380
191: ok 7381
191: ok 7382
191: ok 7383
191: ok 7384
191: ok 7385
191: ok 7386
191: ok 7387
191: ok 7388
191: ok 7389
191: ok 7390
191: ok 7391
191: ok 7392
191: ok 7393
191: ok 7394
191: ok 7395
191: ok 7396
191: ok 7397
191: ok 7398
191: ok 7399
191: ok 7400
191: ok 7401
191: ok 7402
191: ok 7403
191: ok 7404
191: ok 7405
191: ok 7406
191: ok 7407
191: ok 7408
191: ok 7409
191: ok 7410
191: ok 7411
191: ok 7412
191: ok 7413
191: ok 7414
191: ok 7415
191: ok 7416
191: ok 7417
191: ok 7418
191: ok 7419
191: ok 7420
191: ok 7421
191: ok 7422
191: ok 7423
191: ok 7424
191: ok 7425
191: ok 7426
191: ok 7427
191: ok 7428
191: ok 7429
191: ok 7430
191: ok 7431
191: ok 7432
191: ok 7433
191: ok 7434
191: ok 7435
191: ok 7436
191: ok 7437
191: ok 7438
191: ok 7439
191: ok 7440
191: ok 7441
191: ok 7442
191: ok 7443
191: ok 7444
191: ok 7445
191: ok 7446
191: ok 7447
191: ok 7448
191: ok 7449
191: ok 7450
191: ok 7451
191: ok 7452
191: ok 7453
191: ok 7454
191: ok 7455
191: ok 7456
191: ok 7457
191: ok 7458
191: ok 7459
191: ok 7460
191: ok 7461
191: ok 7462
191: ok 7463
191: ok 7464
191: ok 7465
191: ok 7466
191: ok 7467
191: ok 7468
191: ok 7469
191: ok 7470
191: ok 7471
191: ok 7472
191: ok 7473
191: ok 7474
191: ok 7475
191: ok 7476
191: ok 7477
191: ok 7478
191: ok 7479
191: ok 7480
191: ok 7481
191: ok 7482
191: ok 7483
191: ok 7484
191: ok 7485
191: ok 7486
191: ok 7487
191: ok 7488
191: ok 7489
191: ok 7490
191: ok 7491
191: ok 7492
191: ok 7493
191: ok 7494
191: ok 7495
191: ok 7496
191: ok 7497
191: ok 7498
191: ok 7499
191: ok 7500
191: ok 7501
191: ok 7502
191: ok 7503
191: ok 7504
191: ok 7505
191: ok 7506
191: ok 7507
191: ok 7508
191: ok 7509
191: ok 7510
191: ok 7511
191: ok 7512
191: ok 7513
191: ok 7514
191: ok 7515
191: ok 7516
191: ok 7517
191: ok 7518
191: ok 7519
191: ok 7520
191: ok 7521
191: ok 7522
191: ok 7523
191: ok 7524
191: ok 7525
191: ok 7526
191: ok 7527
191: ok 7528
191: ok 7529
191: ok 7530
191: ok 7531
191: ok 7532
191: ok 7533
191: ok 7534
191: ok 7535
191: ok 7536
191: ok 7537
191: ok 7538
191: ok 7539
191: ok 7540
191: ok 7541
191: ok 7542
191: ok 7543
191: ok 7544
191: ok 7545
191: ok 7546
191: ok 7547
191: ok 7548
191: ok 7549
191: ok 7550
191: ok 7551
191: ok 7552
191: ok 7553
191: ok 7554
191: ok 7555
191: ok 7556
191: ok 7557
191: ok 7558
191: ok 7559
191: ok 7560
191: ok 7561
191: ok 7562
191: ok 7563
191: ok 7564
191: ok 7565
191: ok 7566
191: ok 7567
191: ok 7568
191: ok 7569
191: ok 7570
191: ok 7571
191: ok 7572
191: ok 7573
191: ok 7574
191: ok 7575
191: ok 7576
191: ok 7577
191: ok 7578
191: ok 7579
191: ok 7580
191: ok 7581
191: ok 7582
191: ok 7583
191: ok 7584
191: ok 7585
191: ok 7586
191: ok 7587
191: ok 7588
191: ok 7589
191: ok 7590
191: ok 7591
191: ok 7592
191: ok 7593
191: ok 7594
191: ok 7595
191: ok 7596
191: ok 7597
191: ok 7598
191: ok 7599
191: ok 7600
191: ok 7601
191: ok 7602
191: ok 7603
191: ok 7604
191: ok 7605
191: ok 7606
191: ok 7607
191: ok 7608
191: ok 7609
191: ok 7610
191: ok 7611
191: ok 7612
191: ok 7613
191: ok 7614
191: ok 7615
191: ok 7616
191: ok 7617
191: ok 7618
191: ok 7619
191: ok 7620
191: ok 7621
191: ok 7622
191: ok 7623
191: ok 7624
191: ok 7625
191: ok 7626
191: ok 7627
191: ok 7628
191: ok 7629
191: ok 7630
191: ok 7631
191: ok 7632
191: ok 7633
191: ok 7634
191: ok 7635
191: ok 7636
191: ok 7637
191: ok 7638
191: ok 7639
191: ok 7640
191: ok 7641
191: ok 7642
191: ok 7643
191: ok 7644
191: ok 7645
191: ok 7646
191: ok 7647
191: ok 7648
191: ok 7649
191: ok 7650
191: ok 7651
191: ok 7652
191: ok 7653
191: ok 7654
191: ok 7655
191: ok 7656
191: ok 7657
191: ok 7658
191: ok 7659
191: ok 7660
191: ok 7661
191: ok 7662
191: ok 7663
191: ok 7664
191: ok 7665
191: ok 7666
191: ok 7667
191: ok 7668
191: ok 7669
191: ok 7670
191: ok 7671
191: ok 7672
191: ok 7673
191: ok 7674
191: ok 7675
191: ok 7676
191: ok 7677
191: ok 7678
191: ok 7679
191: ok 7680
191: ok 7681
191: ok 7682
191: ok 7683
191: ok 7684
191: ok 7685
191: ok 7686
191: ok 7687
191: ok 7688
191: ok 7689
191: ok 7690
191: ok 7691
191: ok 7692
191: ok 7693
191: ok 7694
191: ok 7695
191: ok 7696
191: ok 7697
191: ok 7698
191: ok 7699
191: ok 7700
191: ok 7701
191: ok 7702
191: ok 7703
191: ok 7704
191: ok 7705
191: ok 7706
191: ok 7707
191: ok 7708
191: ok 7709
191: ok 7710
191: ok 7711
191: ok 7712
191: ok 7713
191: ok 7714
191: ok 7715
191: ok 7716
191: ok 7717
191: ok 7718
191: ok 7719
191: ok 7720
191: ok 7721
191: ok 7722
191: ok 7723
191: ok 7724
191: ok 7725
191: ok 7726
191: ok 7727
191: ok 7728
191: ok 7729
191: ok 7730
191: ok 7731
191: ok 7732
191: ok 7733
191: ok 7734
191: ok 7735
191: ok 7736
191: ok 7737
191: ok 7738
191: ok 7739
191: ok 7740
191: ok 7741
191: ok 7742
191: ok 7743
191: ok 7744
191: ok 7745
191: ok 7746
191: ok 7747
191: ok 7748
191: ok 7749
191: ok 7750
191: ok 7751
191: ok 7752
191: ok 7753
191: ok 7754
191: ok 7755
191: ok 7756
191: ok 7757
191: ok 7758
191: ok 7759
191: ok 7760
191: ok 7761
191: ok 7762
191: ok 7763
191: ok 7764
191: ok 7765
191: ok 7766
191: ok 7767
191: ok 7768
191: ok 7769
191: ok 7770
191: ok 7771
191: ok 7772
191: ok 7773
191: ok 7774
191: ok 7775
191: ok 7776
191: ok 7777
191: ok 7778
191: ok 7779
191: ok 7780
191: ok 7781
191: ok 7782
191: ok 7783
191: ok 7784
191: ok 7785
191: ok 7786
191: ok 7787
191: ok 7788
191: ok 7789
191: ok 7790
191: ok 7791
191: ok 7792
191: ok 7793
191: ok 7794
191: ok 7795
191: ok 7796
191: ok 7797
191: ok 7798
191: ok 7799
191: ok 7800
191: ok 7801
191: ok 7802
191: ok 7803
191: ok 7804
191: ok 7805
191: ok 7806
191: ok 7807
191: ok 7808
191: ok 7809
191: ok 7810
191: ok 7811
191: ok 7812
191: ok 7813
191: ok 7814
191: ok 7815
191: ok 7816
191: ok 7817
191: ok 7818
190/223 Test #190: test_math_1 ......................   Passed    1.60 sec
test 192
        Start 192: test_math_3

192: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "math" "3"
192: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
192: Environment variables: 
192:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
192:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
192: Test timeout computed to be: 1500
191: ok 7819
191: ok 7820
191: ok 7821
191: ok 7822
191: ok 7823
191: ok 7824
191: ok 7825
191: ok 7826
191: ok 7827
191: ok 7828
191: ok 7829
191: ok 7830
191: ok 7831
191: ok 7832
191: ok 7833
191: ok 7834
191: ok 7835
191: ok 7836
191: ok 7837
191: ok 7838
191: ok 7839
191: ok 7840
191: ok 7841
191: ok 7842
191: ok 7843
191: ok 7844
191: ok 7845
191: ok 7846
191: ok 7847
191: ok 7848
191: ok 7849
191: ok 7850
191: ok 7851
191: ok 7852
191: ok 7853
191: ok 7854
191: ok 7855
191: ok 7856
191: ok 7857
191: ok 7858
191: ok 7859
191: ok 7860
191: ok 7861
191: ok 7862
191: ok 7863
191: ok 7864
191: ok 7865
191: ok 7866
191: ok 7867
191: ok 7868
191: ok 7869
191: ok 7870
191: ok 7871
191: ok 7872
191: ok 7873
191: ok 7874
191: ok 7875
191: ok 7876
191: ok 7877
191: ok 7878
191: ok 7879
191: ok 7880
191: ok 7881
191: ok 7882
191: ok 7883
191: ok 7884
191: ok 7885
191: ok 7886
191: ok 7887
191: ok 7888
191: ok 7889
191: ok 7890
191: ok 7891
191: ok 7892
191: ok 7893
191: ok 7894
191: ok 7895
191: ok 7896
191: ok 7897
191: ok 7898
191: ok 7899
191: ok 7900
191: ok 7901
191: ok 7902
191: ok 7903
191: ok 7904
191: ok 7905
191: ok 7906
191: ok 7907
191: ok 7908
191: ok 7909
191: ok 7910
191: ok 7911
191: ok 7912
191: ok 7913
191: ok 7914
191: ok 7915
191: ok 7916
191: ok 7917
191: ok 7918
191: ok 7919
191: ok 7920
191: ok 7921
191: ok 7922
191: ok 7923
191: ok 7924
191: ok 7925
191: ok 7926
191: ok 7927
191: ok 7928
191: ok 7929
191: ok 7930
191: ok 7931
191: ok 7932
191: ok 7933
191: ok 7934
191: ok 7935
191: ok 7936
191: ok 7937
191: ok 7938
191: ok 7939
191: ok 7940
191: ok 7941
191: ok 7942
191: ok 7943
191: ok 7944
191: ok 7945
191: ok 7946
191: ok 7947
191: ok 7948
191: ok 7949
191: ok 7950
191: ok 7951
191: ok 7952
191: ok 7953
191: ok 7954
191: ok 7955
191: ok 7956
191: ok 7957
191: ok 7958
191: ok 7959
191: ok 7960
191: ok 7961
191: ok 7962
191: ok 7963
191: ok 7964
191: ok 7965
191: ok 7966
191: ok 7967
191: ok 7968
191: ok 7969
191: ok 7970
191: ok 7971
191: ok 7972
191: ok 7973
191: ok 7974
191: ok 7975
191: ok 7976
191: ok 7977
191: ok 7978
191: ok 7979
191: ok 7980
191: ok 7981
191: ok 7982
191: ok 7983
191: ok 7984
191: ok 7985
191: ok 7986
191: ok 7987
191: ok 7988
191: ok 7989
191: ok 7990
191: ok 7991
191: ok 7992
191: ok 7993
191: ok 7994
191: ok 7995
191: ok 7996
191: ok 7997
191: ok 7998
191: ok 7999
191: ok 8000
191: ok 8001
191: ok 8002
191: ok 8003
191: ok 8004
191: ok 8005
191: ok 8006
191: ok 8007
191: ok 8008
191: ok 8009
191: ok 8010
191: ok 8011
191: ok 8012
191: ok 8013
191: ok 8014
191: ok 8015
191: ok 8016
191: ok 8017
191: ok 8018
191: ok 8019
191: ok 8020
191: ok 8021
191: ok 8022
191: ok 8023
191: ok 8024
191: ok 8025
191: ok 8026
191: ok 8027
191: ok 8028
191: ok 8029
191: ok 8030
191: ok 8031
191: ok 8032
191: ok 8033
191: ok 8034
191: ok 8035
191: ok 8036
191: ok 8037
191: ok 8038
191: ok 8039
191: ok 8040
191: ok 8041
191: ok 8042
191: ok 8043
191: ok 8044
191: ok 8045
191: ok 8046
191: ok 8047
191: ok 8048
191: ok 8049
191: ok 8050
191: ok 8051
191: ok 8052
191: ok 8053
191: ok 8054
191: ok 8055
191: ok 8056
191: ok 8057
191: ok 8058
191: ok 8059
191: ok 8060
191: ok 8061
191: ok 8062
191: ok 8063
191: ok 8064
191: ok 8065
191: ok 8066
191: ok 8067
191: ok 8068
191: ok 8069
191: ok 8070
191: ok 8071
191: ok 8072
191: ok 8073
191: ok 8074
191: ok 8075
191: ok 8076
191: ok 8077
191: ok 8078
191: ok 8079
191: ok 8080
191: ok 8081
191: ok 8082
191: ok 8083
191: ok 8084
191: ok 8085
191: ok 8086
191: ok 8087
191: ok 8088
191: ok 8089
191: ok 8090
191: ok 8091
191: ok 8092
191: ok 8093
191: ok 8094
191: ok 8095
191: ok 8096
191: ok 8097
191: ok 8098
191: ok 8099
191: ok 8100
191: ok 8101
191: ok 8102
191: ok 8103
191: ok 8104
191: ok 8105
191: ok 8106
191: ok 8107
191: ok 8108
191: ok 8109
191: ok 8110
191: ok 8111
191: ok 8112
191: ok 8113
191: ok 8114
191: ok 8115
191: ok 8116
191: ok 8117
191: ok 8118
191: ok 8119
191: ok 8120
191: ok 8121
191: ok 8122
191: ok 8123
191: ok 8124
191: ok 8125
191: ok 8126
191: ok 8127
191: ok 8128
191: ok 8129
191: ok 8130
191: ok 8131
191: ok 8132
191: ok 8133
191: ok 8134
191: ok 8135
191: ok 8136
191: ok 8137
191: ok 8138
191: ok 8139
191: ok 8140
191: ok 8141
191: ok 8142
191: ok 8143
191: ok 8144
191: ok 8145
191: ok 8146
191: ok 8147
191: ok 8148
191: ok 8149
191: ok 8150
191: ok 8151
191: ok 8152
191: ok 8153
191: ok 8154
191: ok 8155
191: ok 8156
191: ok 8157
191: ok 8158
191: ok 8159
191: ok 8160
191: ok 8161
191: ok 8162
191: ok 8163
191: ok 8164
191: ok 8165
191: ok 8166
191: ok 8167
191: ok 8168
191: ok 8169
191: ok 8170
191: ok 8171
191: ok 8172
191: ok 8173
191: ok 8174
191: ok 8175
191: ok 8176
191: ok 8177
191: ok 8178
191: ok 8179
191: ok 8180
191: ok 8181
191: ok 8182
191: ok 8183
191: ok 8184
191: ok 8185
191: ok 8186
191: ok 8187
191: ok 8188
191: ok 8189
191: ok 8190
191: ok 8191
191: ok 8192
191: ok 8193
191: ok 8194
191: ok 8195
191: ok 8196
191: ok 8197
191: ok 8198
191: ok 8199
191: ok 8200
191: ok 8201
191: ok 8202
191: ok 8203
191: ok 8204
191: ok 8205
191: ok 8206
191: ok 8207
191: ok 8208
191: ok 8209
191: ok 8210
191: ok 8211
191: ok 8212
191: ok 8213
191: ok 8214
191: ok 8215
191: ok 8216
191: ok 8217
191: ok 8218
191: ok 8219
191: ok 8220
191: ok 8221
191: ok 8222
191: ok 8223
191: ok 8224
191: ok 8225
191: ok 8226
191: ok 8227
191: ok 8228
191: ok 8229
191: ok 8230
191: ok 8231
191: ok 8232
191: ok 8233
191: ok 8234
191: ok 8235
191: ok 8236
191: ok 8237
191: ok 8238
191: ok 8239
191: ok 8240
191: ok 8241
191: ok 8242
191: ok 8243
191: ok 8244
191: ok 8245
191: ok 8246
191: ok 8247
191: ok 8248
191: ok 8249
191: ok 8250
191: ok 8251
191: ok 8252
191: ok 8253
191: ok 8254
191: ok 8255
191: ok 8256
191: ok 8257
191: ok 8258
191: ok 8259
191: ok 8260
191: ok 8261
191: ok 8262
191: ok 8263
191: ok 8264
191: ok 8265
191: ok 8266
191: ok 8267
191: ok 8268
191: ok 8269
191: ok 8270
191: ok 8271
191: ok 8272
191: ok 8273
191: ok 8274
191: ok 8275
191: ok 8276
191: ok 8277
191: ok 8278
191: ok 8279
191: ok 8280
191: ok 8281
191: ok 8282
191: ok 8283
191: ok 8284
191: ok 8285
191: ok 8286
191: ok 8287
191: ok 8288
191: ok 8289
191: ok 8290
191: ok 8291
191: ok 8292
191: ok 8293
191: ok 8294
191: ok 8295
191: ok 8296
191: ok 8297
191: ok 8298
191: ok 8299
191: ok 8300
191: ok 8301
191: ok 8302
191: ok 8303
191: ok 8304
191: ok 8305
191: ok 8306
191: ok 8307
191: ok 8308
191: ok 8309
191: ok 8310
191: ok 8311
191: ok 8312
191: ok 8313
191: ok 8314
191: ok 8315
191: ok 8316
191: ok 8317
191: ok 8318
191: ok 8319
191: ok 8320
191: ok 8321
191: ok 8322
191: ok 8323
191: ok 8324
191: ok 8325
191: ok 8326
191: ok 8327
191: ok 8328
191: ok 8329
191: ok 8330
191: ok 8331
191: ok 8332
191: ok 8333
191: ok 8334
191: ok 8335
191: ok 8336
191: ok 8337
191: ok 8338
191: ok 8339
191: ok 8340
191: ok 8341
191: ok 8342
191: ok 8343
191: ok 8344
191: ok 8345
191: ok 8346
191: ok 8347
191: ok 8348
191: ok 8349
191: ok 8350
191: ok 8351
191: ok 8352
191: ok 8353
191: ok 8354
191: ok 8355
191: ok 8356
191: ok 8357
191: ok 8358
191: ok 8359
191: ok 8360
191: ok 8361
191: ok 8362
191: ok 8363
191: ok 8364
191: ok 8365
191: ok 8366
191: ok 8367
191: ok 8368
191: ok 8369
191: ok 8370
191: ok 8371
191: ok 8372
191: ok 8373
191: ok 8374
191: ok 8375
191: ok 8376
191: ok 8377
191: ok 8378
191: ok 8379
191: ok 8380
191: ok 8381
191: ok 8382
191: ok 8383
191: ok 8384
191: ok 8385
191: ok 8386
191: ok 8387
191: ok 8388
191: ok 8389
191: ok 8390
191: ok 8391
191: ok 8392
191: ok 8393
191: ok 8394
191: ok 8395
191: ok 8396
191: ok 8397
191: ok 8398
191: ok 8399
191: ok 8400
191: ok 8401
191: ok 8402
191: ok 8403
191: ok 8404
191: ok 8405
191: ok 8406
191: ok 8407
191: ok 8408
191: ok 8409
191: ok 8410
191: ok 8411
191: ok 8412
191: ok 8413
191: ok 8414
191: ok 8415
191: ok 8416
191: ok 8417
191: ok 8418
191: ok 8419
191: ok 8420
191: ok 8421
191: ok 8422
191: ok 8423
191: ok 8424
191: ok 8425
191: ok 8426
191: ok 8427
191: ok 8428
191: ok 8429
191: ok 8430
191: ok 8431
191: ok 8432
191: ok 8433
191: ok 8434
191: ok 8435
191: ok 8436
191: ok 8437
191: ok 8438
191: ok 8439
191: ok 8440
191: ok 8441
191: ok 8442
191: ok 8443
191: ok 8444
191: ok 8445
191: ok 8446
191: ok 8447
191: ok 8448
191: ok 8449
191: ok 8450
191: ok 8451
191: ok 8452
191: ok 8453
191: ok 8454
191: ok 8455
191: ok 8456
191: ok 8457
191: ok 8458
191: ok 8459
191: ok 8460
191: ok 8461
191: ok 8462
191: ok 8463
191: ok 8464
191: ok 8465
191: ok 8466
191: ok 8467
191: ok 8468
191: ok 8469
191: ok 8470
191: ok 8471
191: ok 8472
191: ok 8473
191: ok 8474
191: ok 8475
191: ok 8476
191: ok 8477
191: ok 8478
191: ok 8479
191: ok 8480
191: ok 8481
191: ok 8482
191: ok 8483
191: ok 8484
191: ok 8485
191: ok 8486
191: ok 8487
191: ok 8488
191: ok 8489
191: ok 8490
191: ok 8491
191: ok 8492
191: ok 8493
191: ok 8494
191: ok 8495
191: ok 8496
191: ok 8497
191: ok 8498
191: ok 8499
191: ok 8500
191: ok 8501
191: ok 8502
191: ok 8503
191: ok 8504
191: ok 8505
191: ok 8506
191: ok 8507
191: ok 8508
191: ok 8509
191: ok 8510
191: ok 8511
191: ok 8512
191: ok 8513
191: ok 8514
191: ok 8515
191: ok 8516
191: ok 8517
191: ok 8518
191: ok 8519
191: ok 8520
191: ok 8521
191: ok 8522
191: ok 8523
191: ok 8524
191: ok 8525
191: ok 8526
191: ok 8527
191: ok 8528
191: ok 8529
191: ok 8530
191: ok 8531
191: ok 8532
191: ok 8533
191: ok 8534
191: ok 8535
191: ok 8536
191: ok 8537
191: ok 8538
191: ok 8539
191: ok 8540
191: ok 8541
191: ok 8542
191: ok 8543
191: ok 8544
191: ok 8545
191: ok 8546
191: ok 8547
191: ok 8548
191: ok 8549
191: ok 8550
191: ok 8551
191: ok 8552
191: ok 8553
191: ok 8554
191: ok 8555
191: ok 8556
191: ok 8557
191: ok 8558
191: ok 8559
191: ok 8560
191: ok 8561
191: ok 8562
191: ok 8563
191: ok 8564
191: ok 8565
191: ok 8566
191: ok 8567
191: ok 8568
191: ok 8569
191: ok 8570
191: ok 8571
191: ok 8572
191: ok 8573
191: ok 8574
191: ok 8575
191: ok 8576
191: ok 8577
191: ok 8578
191: ok 8579
191: ok 8580
191: ok 8581
191: ok 8582
191: ok 8583
191: ok 8584
191: ok 8585
191: ok 8586
191: ok 8587
191: ok 8588
191: ok 8589
191: ok 8590
191: ok 8591
191: ok 8592
191: ok 8593
191: ok 8594
191: ok 8595
191: ok 8596
191: ok 8597
191: ok 8598
191: ok 8599
191: ok 8600
191: ok 8601
191: ok 8602
191: ok 8603
191: ok 8604
191: ok 8605
191: ok 8606
191: ok 8607
191: ok 8608
191: ok 8609
191: ok 8610
191: ok 8611
191: ok 8612
191: ok 8613
191: ok 8614
191: ok 8615
191: ok 8616
191: ok 8617
191: ok 8618
191: ok 8619
191: ok 8620
191: ok 8621
191: ok 8622
191: ok 8623
191: ok 8624
191: ok 8625
191: ok 8626
191: ok 8627
191: ok 8628
191: ok 8629
191: ok 8630
191: ok 8631
191: ok 8632
191: ok 8633
191: ok 8634
191: ok 8635
191: ok 8636
191: ok 8637
191: ok 8638
191: ok 8639
191: ok 8640
191: ok 8641
191: ok 8642
191: ok 8643
191: ok 8644
191: ok 8645
191: ok 8646
191: ok 8647
191: ok 8648
191: ok 8649
191: ok 8650
191: ok 8651
191: ok 8652
191: ok 8653
191: ok 8654
191: ok 8655
191: ok 8656
191: ok 8657
191: ok 8658
191: ok 8659
191: ok 8660
191: ok 8661
191: ok 8662
191: ok 8663
191: ok 8664
191: ok 8665
191: ok 8666
191: ok 8667
191: ok 8668
191: ok 8669
191: ok 8670
191: ok 8671
191: ok 8672
191: ok 8673
191: ok 8674
191: ok 8675
191: ok 8676
191: ok 8677
191: ok 8678
191: ok 8679
191: ok 8680
191: ok 8681
191: ok 8682
191: ok 8683
191: ok 8684
191: ok 8685
191: ok 8686
191: ok 8687
191: ok 8688
191: ok 8689
191: ok 8690
191: ok 8691
191: ok 8692
191: ok 8693
191: ok 8694
191: ok 8695
191: ok 8696
191: ok 8697
191: ok 8698
191: ok 8699
191: ok 8700
191: ok 8701
191: ok 8702
191: ok 8703
191: ok 8704
191: ok 8705
191: ok 8706
191: ok 8707
191: ok 8708
191: ok 8709
191: ok 8710
191: ok 8711
191: ok 8712
191: ok 8713
191: ok 8714
191: ok 8715
191: ok 8716
191: ok 8717
191: ok 8718
191: ok 8719
191: ok 8720
191: ok 8721
191: ok 8722
191: ok 8723
191: ok 8724
191: ok 8725
191: ok 8726
191: ok 8727
191: ok 8728
191: ok 8729
191: ok 8730
191: ok 8731
191: ok 8732
191: ok 8733
191: ok 8734
191: ok 8735
191: ok 8736
191: ok 8737
191: ok 8738
191: ok 8739
191: ok 8740
191: ok 8741
191: ok 8742
191: ok 8743
191: ok 8744
191: ok 8745
191: ok 8746
191: ok 8747
191: ok 8748
191: ok 8749
191: ok 8750
191: ok 8751
191: ok 8752
191: ok 8753
191: ok 8754
191: ok 8755
191: ok 8756
191: ok 8757
191: ok 8758
191: ok 8759
191: ok 8760
191: ok 8761
191: ok 8762
191: ok 8763
191: ok 8764
191: ok 8765
191: ok 8766
191: ok 8767
191: ok 8768
191: ok 8769
191: ok 8770
191: ok 8771
191: ok 8772
191: ok 8773
191: ok 8774
191: ok 8775
191: ok 8776
191: ok 8777
191: ok 8778
191: ok 8779
191: ok 8780
191: ok 8781
191: ok 8782
191: ok 8783
191: ok 8784
191: ok 8785
191: ok 8786
191: ok 8787
191: ok 8788
191: ok 8789
191: ok 8790
191: ok 8791
191: ok 8792
191: ok 8793
191: ok 8794
191: ok 8795
191: ok 8796
191: ok 8797
191: ok 8798
191: ok 8799
191: ok 8800
191: ok 8801
191: ok 8802
191: ok 8803
191: ok 8804
191: ok 8805
191: ok 8806
191: ok 8807
191: ok 8808
191: ok 8809
191: ok 8810
191: ok 8811
191: ok 8812
191: ok 8813
191: ok 8814
191: ok 8815
191: ok 8816
191: ok 8817
191: ok 8818
191: ok 8819
191: ok 8820
191: ok 8821
191: ok 8822
191: ok 8823
191: ok 8824
191: ok 8825
191: ok 8826
191: ok 8827
191: ok 8828
191: ok 8829
191: ok 8830
191: ok 8831
191: ok 8832
191: ok 8833
191: ok 8834
191: ok 8835
191: ok 8836
191: ok 8837
191: ok 8838
191: ok 8839
191: ok 8840
191: ok 8841
191: ok 8842
191: ok 8843
191: ok 8844
191: ok 8845
191: ok 8846
191: ok 8847
191: ok 8848
191: ok 8849
191: ok 8850
191: ok 8851
191: ok 8852
191: ok 8853
191: ok 8854
191: ok 8855
191: ok 8856
191: ok 8857
191: ok 8858
191: ok 8859
191: ok 8860
191: ok 8861
191: ok 8862
191: ok 8863
191: ok 8864
191: ok 8865
191: ok 8866
191: ok 8867
191: ok 8868
191: ok 8869
191: ok 8870
191: ok 8871
191: ok 8872
191: ok 8873
191: ok 8874
191: ok 8875
191: ok 8876
191: ok 8877
191: ok 8878
191: ok 8879
191: ok 8880
191: ok 8881
191: ok 8882
191: ok 8883
191: ok 8884
191: ok 8885
191: ok 8886
191: ok 8887
191: ok 8888
191: ok 8889
191: ok 8890
191: ok 8891
191: ok 8892
191: ok 8893
191: ok 8894
191: ok 8895
191: ok 8896
191: ok 8897
191: ok 8898
191: ok 8899
191: ok 8900
191: ok 8901
191: ok 8902
191: ok 8903
191: ok 8904
191: ok 8905
191: ok 8906
191: ok 8907
191: ok 8908
191: ok 8909
191: ok 8910
191: ok 8911
191: ok 8912
191: ok 8913
191: ok 8914
191: ok 8915
191: ok 8916
191: ok 8917
191: ok 8918
191: ok 8919
191: ok 8920
191: ok 8921
191: ok 8922
191: ok 8923
191: ok 8924
191: ok 8925
191: ok 8926
191: ok 8927
191: ok 8928
191: ok 8929
191: ok 8930
191: ok 8931
191: ok 8932
191: ok 8933
191: ok 8934
191: ok 8935
191: ok 8936
191: ok 8937
191: ok 8938
191: ok 8939
191: ok 8940
191: ok 8941
191: ok 8942
191: ok 8943
191: ok 8944
191: ok 8945
191: ok 8946
191: ok 8947
191: ok 8948
191: ok 8949
191: ok 8950
191: ok 8951
191: ok 8952
191: ok 8953
191: ok 8954
191: ok 8955
191: ok 8956
191: ok 8957
191: ok 8958
191: ok 8959
191: ok 8960
191: ok 8961
191: ok 8962
191: ok 8963
191: ok 8964
191: ok 8965
191: ok 8966
191: ok 8967
191: ok 8968
191: ok 8969
191: ok 8970
191: ok 8971
191: ok 8972
191: ok 8973
191: ok 8974
191: ok 8975
191: ok 8976
191: ok 8977
191: ok 8978
191: ok 8979
191: ok 8980
191: ok 8981
191: ok 8982
191: ok 8983
191: ok 8984
191: ok 8985
191: ok 8986
191: ok 8987
191: ok 8988
191: ok 8989
191: ok 8990
191: ok 8991
191: ok 8992
191: ok 8993
191: ok 8994
191: ok 8995
191: ok 8996
191: ok 8997
191: ok 8998
191: ok 8999
191: ok 9000
191: ok 9001
191: ok 9002
191: ok 9003
191: ok 9004
191: ok 9005
191: ok 9006
191: ok 9007
191: ok 9008
191: ok 9009
191: ok 9010
191: ok 9011
191: ok 9012
191: ok 9013
191: ok 9014
191: ok 9015
191: ok 9016
191: ok 9017
191: ok 9018
191: ok 9019
191: ok 9020
191: ok 9021
191: ok 9022
191: ok 9023
191: ok 9024
191: ok 9025
191: ok 9026
191: ok 9027
191: ok 9028
191: ok 9029
191: ok 9030
191: ok 9031
191: ok 9032
191: ok 9033
191: ok 9034
191: ok 9035
191: ok 9036
191: ok 9037
191: ok 9038
191: ok 9039
191: ok 9040
191: ok 9041
191: ok 9042
191: ok 9043
191: ok 9044
191: ok 9045
191: ok 9046
191: ok 9047
191: ok 9048
191: ok 9049
191: ok 9050
191: ok 9051
191: ok 9052
191: ok 9053
191: ok 9054
191: ok 9055
191: ok 9056
191: ok 9057
191: ok 9058
191: ok 9059
191: ok 9060
191: ok 9061
191: ok 9062
191: ok 9063
191: ok 9064
191: ok 9065
191: ok 9066
191: ok 9067
191: ok 9068
191: ok 9069
191: ok 9070
191: ok 9071
191: ok 9072
191: ok 9073
191: ok 9074
191: ok 9075
191: ok 9076
191: ok 9077
191: ok 9078
191: ok 9079
191: ok 9080
191: ok 9081
191: ok 9082
191: ok 9083
191: ok 9084
191: ok 9085
191: ok 9086
191: ok 9087
191: ok 9088
191: ok 9089
191: ok 9090
191: ok 9091
191: ok 9092
191: ok 9093
191: ok 9094
191: ok 9095
191: ok 9096
191: ok 9097
191: ok 9098
191: ok 9099
191: ok 9100
191: ok 9101
191: ok 9102
191: ok 9103
191: ok 9104
191: ok 9105
191: ok 9106
191: ok 9107
191: ok 9108
191: ok 9109
191: ok 9110
191: ok 9111
191: ok 9112
191: ok 9113
191: ok 9114
191: ok 9115
191: ok 9116
191: ok 9117
191: ok 9118
191: ok 9119
191: ok 9120
191: ok 9121
191: ok 9122
191: ok 9123
191: ok 9124
191: ok 9125
191: ok 9126
191: ok 9127
191: ok 9128
191: ok 9129
191: ok 9130
191: ok 9131
191: ok 9132
191: ok 9133
191: ok 9134
191: ok 9135
191: ok 9136
191: ok 9137
191: ok 9138
191: ok 9139
191: ok 9140
191: ok 9141
191: ok 9142
191: ok 9143
191: ok 9144
191: ok 9145
191: ok 9146
191: ok 9147
191: ok 9148
191: ok 9149
191: ok 9150
191: ok 9151
191: ok 9152
191: ok 9153
191: ok 9154
191: ok 9155
191: ok 9156
191: ok 9157
191: ok 9158
191: ok 9159
191: ok 9160
191: ok 9161
191: ok 9162
191: ok 9163
191: ok 9164
191: ok 9165
191: ok 9166
191: ok 9167
191: ok 9168
191: ok 9169
191: ok 9170
191: ok 9171
191: ok 9172
191: ok 9173
191: ok 9174
191: ok 9175
191: ok 9176
191: ok 9177
191: ok 9178
191: ok 9179
191: ok 9180
191: ok 9181
191: ok 9182
191: ok 9183
191: ok 9184
191: ok 9185
191: ok 9186
191: ok 9187
191: ok 9188
191: ok 9189
191: ok 9190
191: ok 9191
191: ok 9192
191: ok 9193
191: ok 9194
191: ok 9195
191: ok 9196
191: ok 9197
191: ok 9198
191: ok 9199
191: ok 9200
191: ok 9201
191: ok 9202
191: ok 9203
191: ok 9204
191: ok 9205
191: ok 9206
191: ok 9207
191: ok 9208
191: ok 9209
191: ok 9210
191: ok 9211
191: ok 9212
191: ok 9213
191: ok 9214
191: ok 9215
191: ok 9216
191: ok 9217
191: ok 9218
191: ok 9219
191: ok 9220
191: ok 9221
191: ok 9222
191: ok 9223
191: ok 9224
191: ok 9225
191: ok 9226
191: ok 9227
191: ok 9228
191: ok 9229
191: ok 9230
191: ok 9231
191: ok 9232
191: ok 9233
191: ok 9234
191: ok 9235
191: ok 9236
191: ok 9237
191: ok 9238
191: ok 9239
191: ok 9240
191: ok 9241
191: ok 9242
191: ok 9243
191: ok 9244
191: ok 9245
191: ok 9246
191: ok 9247
191: ok 9248
191: ok 9249
191: ok 9250
191: ok 9251
191: ok 9252
191: ok 9253
191: ok 9254
191: ok 9255
191: ok 9256
191: ok 9257
191: ok 9258
191: ok 9259
191: ok 9260
191: ok 9261
191: ok 9262
191: ok 9263
191: ok 9264
191: ok 9265
191: ok 9266
191: ok 9267
191: ok 9268
191: ok 9269
191: ok 9270
191: ok 9271
191: ok 9272
191: ok 9273
191: ok 9274
191: ok 9275
191: ok 9276
191: ok 9277
191: ok 9278
191: ok 9279
191: ok 9280
191: ok 9281
191: ok 9282
191: ok 9283
191: ok 9284
191: ok 9285
191: ok 9286
191: ok 9287
191: ok 9288
191: ok 9289
191: ok 9290
191: ok 9291
191: ok 9292
191: ok 9293
191: ok 9294
191: ok 9295
191: ok 9296
191: ok 9297
191: ok 9298
191: ok 9299
191: ok 9300
191: ok 9301
191: ok 9302
191: ok 9303
191: ok 9304
191: ok 9305
191: ok 9306
191: ok 9307
191: ok 9308
191: ok 9309
191: ok 9310
191: ok 9311
191: ok 9312
191: ok 9313
191: ok 9314
191: ok 9315
191: ok 9316
191: ok 9317
191: ok 9318
191: ok 9319
191: ok 9320
191: ok 9321
191: ok 9322
191: ok 9323
191: ok 9324
191: ok 9325
191: ok 9326
191: ok 9327
191: ok 9328
191: ok 9329
191: ok 9330
191: ok 9331
191: ok 9332
191: ok 9333
191: ok 9334
191: ok 9335
191: ok 9336
191: ok 9337
191: ok 9338
191: ok 9339
191: ok 9340
191: ok 9341
191: ok 9342
191: ok 9343
191: ok 9344
191: ok 9345
191: ok 9346
191: ok 9347
191: ok 9348
191: ok 9349
191: ok 9350
191: ok 9351
191: ok 9352
191: ok 9353
191: ok 9354
191: ok 9355
191: ok 9356
191: ok 9357
191: ok 9358
191: ok 9359
191: ok 9360
191: ok 9361
191: ok 9362
191: ok 9363
191: ok 9364
191: ok 9365
191: ok 9366
191: ok 9367
191: ok 9368
191: ok 9369
191: ok 9370
191: ok 9371
191: ok 9372
191: ok 9373
191: ok 9374
191: ok 9375
191: ok 9376
191: ok 9377
191: ok 9378
191: ok 9379
191: ok 9380
191: ok 9381
191: ok 9382
191: ok 9383
191: ok 9384
191: ok 9385
191: ok 9386
191: ok 9387
191: ok 9388
191: ok 9389
191: ok 9390
191: ok 9391
191: ok 9392
191: ok 9393
191: ok 9394
191: ok 9395
191: ok 9396
191: ok 9397
191: ok 9398
191: ok 9399
191: ok 9400
191: ok 9401
191: ok 9402
191: ok 9403
191: ok 9404
191: ok 9405
191: ok 9406
191: ok 9407
191: ok 9408
191: ok 9409
191: ok 9410
191: ok 9411
191: ok 9412
191: ok 9413
191: ok 9414
191: ok 9415
191: ok 9416
191: ok 9417
191: ok 9418
191: ok 9419
191: ok 9420
191: ok 9421
191: ok 9422
191: ok 9423
191: ok 9424
191: ok 9425
191: ok 9426
191: ok 9427
191: ok 9428
191: ok 9429
191: ok 9430
191: ok 9431
191: ok 9432
191: ok 9433
191: ok 9434
191: ok 9435
191: ok 9436
191: ok 9437
191: ok 9438
191: ok 9439
191: ok 9440
191: ok 9441
191: ok 9442
191: ok 9443
191: ok 9444
191: ok 9445
191: ok 9446
191: ok 9447
191: ok 9448
191: ok 9449
191: ok 9450
191: ok 9451
191: ok 9452
191: ok 9453
191: ok 9454
191: ok 9455
191: ok 9456
191: ok 9457
191: ok 9458
191: ok 9459
191: ok 9460
191: ok 9461
191: ok 9462
191: ok 9463
191: ok 9464
191: ok 9465
191: ok 9466
191: ok 9467
191: ok 9468
191: ok 9469
191: ok 9470
191: ok 9471
191: ok 9472
191: ok 9473
191: ok 9474
191: ok 9475
191: ok 9476
191: ok 9477
191: ok 9478
191: ok 9479
191: ok 9480
191: ok 9481
191: ok 9482
191: ok 9483
191: ok 9484
191: ok 9485
191: ok 9486
191: ok 9487
191: ok 9488
191: ok 9489
191: ok 9490
191: ok 9491
191: ok 9492
191: ok 9493
191: ok 9494
191: ok 9495
191: ok 9496
191: ok 9497
191: ok 9498
191: ok 9499
191: ok 9500
191: ok 9501
191: ok 9502
191: ok 9503
191: ok 9504
191: ok 9505
191: ok 9506
191: ok 9507
191: ok 9508
191: ok 9509
191: ok 9510
191: ok 9511
191: ok 9512
191: ok 9513
191: ok 9514
191: ok 9515
191: ok 9516
191: ok 9517
191: ok 9518
191: ok 9519
191: ok 9520
191: ok 9521
191: ok 9522
191: ok 9523
191: ok 9524
191: ok 9525
191: ok 9526
191: ok 9527
191: ok 9528
191: ok 9529
191: ok 9530
191: ok 9531
191: ok 9532
191: ok 9533
191: ok 9534
191: ok 9535
191: ok 9536
191: ok 9537
191: ok 9538
191: ok 9539
191: ok 9540
191: ok 9541
191: ok 9542
191: ok 9543
191: ok 9544
191: ok 9545
191: ok 9546
191: ok 9547
191: ok 9548
191: ok 9549
191: ok 9550
191: ok 9551
191: ok 9552
191: ok 9553
191: ok 9554
191: ok 9555
191: ok 9556
191: ok 9557
191: ok 9558
191: ok 9559
191: ok 9560
191: ok 9561
191: ok 9562
191: ok 9563
191: ok 9564
191: ok 9565
191: ok 9566
191: ok 9567
191: ok 9568
191: ok 9569
191: ok 9570
191: ok 9571
191: ok 9572
191: ok 9573
191: ok 9574
191: ok 9575
191: ok 9576
191: ok 9577
191: ok 9578
191: ok 9579
191: ok 9580
191: ok 9581
191: ok 9582
191: ok 9583
191: ok 9584
191: ok 9585
191: ok 9586
191: ok 9587
191: ok 9588
191: ok 9589
191: ok 9590
191: ok 9591
191: ok 9592
191: ok 9593
191: ok 9594
191: ok 9595
191: ok 9596
191: ok 9597
191: ok 9598
191: ok 9599
191: ok 9600
191: ok 9601
191: ok 9602
191: ok 9603
191: ok 9604
191: ok 9605
191: ok 9606
191: ok 9607
191: ok 9608
191: ok 9609
191: ok 9610
191: ok 9611
191: ok 9612
191: ok 9613
191: ok 9614
191: ok 9615
191: ok 9616
191: ok 9617
191: ok 9618
191: ok 9619
191: ok 9620
191: ok 9621
191: ok 9622
191: ok 9623
191: ok 9624
191: ok 9625
191: ok 9626
191: ok 9627
191: ok 9628
191: ok 9629
191: ok 9630
191: ok 9631
191: ok 9632
191: ok 9633
191: ok 9634
191: ok 9635
191: ok 9636
191: ok 9637
191: ok 9638
191: ok 9639
191: ok 9640
191: ok 9641
191: ok 9642
191: ok 9643
191: ok 9644
191: ok 9645
191: ok 9646
191: ok 9647
191: ok 9648
191: ok 9649
191: ok 9650
191: ok 9651
191: ok 9652
191: ok 9653
191: ok 9654
191: ok 9655
191: ok 9656
191: ok 9657
191: ok 9658
191: ok 9659
191: ok 9660
191: ok 9661
191: ok 9662
191: ok 9663
191: ok 9664
191: ok 9665
191: ok 9666
191: ok 9667
191: ok 9668
191: ok 9669
191: ok 9670
191: ok 9671
191: ok 9672
191: ok 9673
191: ok 9674
191: ok 9675
191: ok 9676
191: ok 9677
191: ok 9678
191: ok 9679
191: ok 9680
191: ok 9681
191: ok 9682
191: ok 9683
191: ok 9684
191: ok 9685
191: ok 9686
191: ok 9687
191: ok 9688
191: ok 9689
191: ok 9690
191: ok 9691
191: ok 9692
191: ok 9693
191: ok 9694
191: ok 9695
191: ok 9696
191: ok 9697
191: ok 9698
191: ok 9699
191: ok 9700
191: ok 9701
191: ok 9702
191: ok 9703
191: ok 9704
191: ok 9705
191: ok 9706
191: ok 9707
191: ok 9708
191: ok 9709
191: ok 9710
191: ok 9711
191: ok 9712
191: ok 9713
191: ok 9714
191: ok 9715
191: ok 9716
191: ok 9717
191: ok 9718
191: ok 9719
191: ok 9720
191: ok 9721
191: ok 9722
191: ok 9723
191: ok 9724
191: ok 9725
191: ok 9726
191: ok 9727
191: ok 9728
191: ok 9729
191: ok 9730
191: ok 9731
191: ok 9732
191: ok 9733
191: ok 9734
191: ok 9735
191: ok 9736
191: ok 9737
191: ok 9738
191: ok 9739
191: ok 9740
191: ok 9741
191: ok 9742
191: ok 9743
191: ok 9744
191: ok 9745
191: ok 9746
191: ok 9747
191: ok 9748
191: ok 9749
191: ok 9750
191: ok 9751
191: ok 9752
191: ok 9753
191: ok 9754
191: ok 9755
191: ok 9756
191: ok 9757
191: ok 9758
191: ok 9759
191: ok 9760
191: ok 9761
191: ok 9762
191: ok 9763
191: ok 9764
191: ok 9765
191: ok 9766
191: ok 9767
191: ok 9768
191: ok 9769
191: ok 9770
191: ok 9771
191: ok 9772
191: ok 9773
191: ok 9774
191: ok 9775
191: ok 9776
191: ok 9777
191: ok 9778
191: ok 9779
191: ok 9780
191: ok 9781
191: ok 9782
191: ok 9783
191: ok 9784
191: ok 9785
191: ok 9786
191: ok 9787
191: ok 9788
191: ok 9789
191: ok 9790
191: ok 9791
191: ok 9792
191: ok 9793
191: ok 9794
191: ok 9795
191: ok 9796
191: ok 9797
191: ok 9798
191: ok 9799
191: ok 9800
191: ok 9801
191: ok 9802
191: ok 9803
191: ok 9804
191: ok 9805
191: ok 9806
191: ok 9807
191: ok 9808
191: ok 9809
191: ok 9810
191: ok 9811
191: ok 9812
191: ok 9813
191: ok 9814
191: ok 9815
191: ok 9816
191: ok 9817
191: ok 9818
191: ok 9819
191: ok 9820
191: ok 9821
191: ok 9822
191: ok 9823
191: ok 9824
191: ok 9825
191: ok 9826
191: ok 9827
191: ok 9828
191: ok 9829
191: ok 9830
191: ok 9831
191: ok 9832
191: ok 9833
191: ok 9834
191: ok 9835
191: ok 9836
191: ok 9837
191: ok 9838
191: ok 9839
191: ok 9840
191: ok 9841
191: ok 9842
191: ok 9843
191: ok 9844
191: ok 9845
191: ok 9846
191: ok 9847
191: ok 9848
191: ok 9849
191: ok 9850
191: ok 9851
191: ok 9852
191: ok 9853
191: ok 9854
191: ok 9855
191: ok 9856
191: ok 9857
191: ok 9858
191: ok 9859
191: ok 9860
191: ok 9861
191: ok 9862
191: ok 9863
191: ok 9864
191: ok 9865
191: ok 9866
191: ok 9867
191: ok 9868
191: ok 9869
191: ok 9870
191: ok 9871
191: ok 9872
191: ok 9873
191: ok 9874
191: ok 9875
191: ok 9876
191: ok 9877
191: ok 9878
191: ok 9879
191: ok 9880
191: ok 9881
191: ok 9882
191: ok 9883
191: ok 9884
191: ok 9885
191: ok 9886
191: ok 9887
191: ok 9888
191: ok 9889
191: ok 9890
191: ok 9891
191: ok 9892
191: ok 9893
191: ok 9894
191: ok 9895
191: ok 9896
191: ok 9897
191: ok 9898
191: ok 9899
191: ok 9900
191: ok 9901
191: ok 9902
191: ok 9903
191: ok 9904
191: ok 9905
191: ok 9906
191: ok 9907
191: ok 9908
191: ok 9909
191: ok 9910
191: ok 9911
191: ok 9912
191: ok 9913
191: ok 9914
191: ok 9915
191: ok 9916
191: ok 9917
191: ok 9918
191: ok 9919
191: ok 9920
191: ok 9921
191: ok 9922
191: ok 9923
191: ok 9924
191: ok 9925
191: ok 9926
191: ok 9927
191: ok 9928
191: ok 9929
191: ok 9930
191: ok 9931
191: ok 9932
191: ok 9933
191: ok 9934
191: ok 9935
191: ok 9936
191: ok 9937
191: ok 9938
191: ok 9939
191: ok 9940
191: ok 9941
191: ok 9942
191: ok 9943
191: ok 9944
191: ok 9945
191: ok 9946
191: ok 9947
191: ok 9948
191: ok 9949
191: ok 9950
191: ok 9951
191: ok 9952
191: ok 9953
191: ok 9954
191: ok 9955
191: ok 9956
191: ok 9957
191: ok 9958
191: ok 9959
191: ok 9960
191: ok 9961
191: ok 9962
191: ok 9963
191: ok 9964
191: ok 9965
191: ok 9966
191: ok 9967
191: ok 9968
191: ok 9969
191: ok 9970
191: ok 9971
191: ok 9972
191: ok 9973
191: ok 9974
191: ok 9975
191: ok 9976
191: ok 9977
191: ok 9978
191: ok 9979
191: ok 9980
191: ok 9981
191: ok 9982
191: ok 9983
191: ok 9984
191: ok 9985
191: ok 9986
191: ok 9987
191: ok 9988
191: ok 9989
191: ok 9990
191: ok 9991
191: ok 9992
191: ok 9993
191: ok 9994
191: ok 9995
191: ok 9996
191: ok 9997
191: ok 9998
191: ok 9999
191: ok 10000
191: ok 10001
191: ok 10002
191: ok 10003
191: ok 10004
191: ok 10005
191: ok 10006
191: ok 10007
191: ok 10008
191: ok 10009
191: ok 10010
191: ok 10011
191: ok 10012
191: ok 10013
191: ok 10014
191: ok 10015
191: ok 10016
191: ok 10017
191: ok 10018
191: ok 10019
191: ok 10020
191: ok 10021
191: ok 10022
191: ok 10023
191: ok 10024
191: ok 10025
191: ok 10026
191: ok 10027
191: ok 10028
191: ok 10029
191: ok 10030
191: ok 10031
191: ok 10032
191: ok 10033
191: ok 10034
191: ok 10035
191: ok 10036
191: ok 10037
191: ok 10038
191: ok 10039
191: ok 10040
191: ok 10041
191: ok 10042
191: ok 10043
191: ok 10044
191: ok 10045
191: ok 10046
191: ok 10047
191: ok 10048
191: ok 10049
191: ok 10050
191: ok 10051
191: ok 10052
191: ok 10053
191: ok 10054
191: ok 10055
191: ok 10056
191: ok 10057
191: ok 10058
191: ok 10059
191: ok 10060
191: ok 10061
191: ok 10062
191: ok 10063
191: ok 10064
191: ok 10065
191: ok 10066
191: ok 10067
191: ok 10068
191: ok 10069
191: ok 10070
191: ok 10071
191: ok 10072
191: ok 10073
191: ok 10074
191: ok 10075
191: ok 10076
191: ok 10077
191: ok 10078
191: ok 10079
191: ok 10080
191: ok 10081
191: ok 10082
191: ok 10083
191: ok 10084
191: ok 10085
191: ok 10086
191: ok 10087
191: ok 10088
191: ok 10089
191: ok 10090
191: ok 10091
191: ok 10092
191: ok 10093
191: ok 10094
191: ok 10095
191: ok 10096
191: ok 10097
191: ok 10098
191: ok 10099
191: ok 10100
191: ok 10101
191: ok 10102
191: ok 10103
191: ok 10104
191: ok 10105
191: ok 10106
191: ok 10107
191: ok 10108
191: ok 10109
191: ok 10110
191: ok 10111
191: ok 10112
191: ok 10113
191: ok 10114
191: ok 10115
191: ok 10116
191: ok 10117
191: ok 10118
191: ok 10119
191: ok 10120
191: ok 10121
191: ok 10122
191: ok 10123
191: ok 10124
191: ok 10125
191: ok 10126
191: ok 10127
191: ok 10128
191: ok 10129
191: ok 10130
191: ok 10131
191: ok 10132
191: ok 10133
191: ok 10134
191: ok 10135
191: ok 10136
191: ok 10137
191: ok 10138
191: ok 10139
191: ok 10140
191: ok 10141
191: ok 10142
191: ok 10143
191: ok 10144
191: ok 10145
191: ok 10146
191: ok 10147
191: ok 10148
191: ok 10149
191: ok 10150
191: ok 10151
191: ok 10152
191: ok 10153
191: ok 10154
191: ok 10155
191: ok 10156
191: ok 10157
191: ok 10158
191: ok 10159
191: ok 10160
191: ok 10161
191: ok 10162
191: ok 10163
191: ok 10164
191: ok 10165
191: ok 10166
191: ok 10167
191: ok 10168
191: ok 10169
191: ok 10170
191: ok 10171
191: ok 10172
191: ok 10173
191: ok 10174
191: ok 10175
191: ok 10176
191: ok 10177
191: ok 10178
191: ok 10179
191: ok 10180
191: ok 10181
191: ok 10182
191: ok 10183
191: ok 10184
191: ok 10185
191: ok 10186
191: ok 10187
191: ok 10188
191: ok 10189
191: ok 10190
191: ok 10191
191: ok 10192
191: ok 10193
191: ok 10194
191: ok 10195
191: ok 10196
191: ok 10197
191: ok 10198
191: ok 10199
191: ok 10200
191: ok 10201
191: ok 10202
191: ok 10203
191: ok 10204
191: ok 10205
191: ok 10206
191: ok 10207
191: ok 10208
191: ok 10209
191: ok 10210
191: ok 10211
191: ok 10212
191: ok 10213
191: ok 10214
191: ok 10215
191: ok 10216
191: ok 10217
191: ok 10218
191: ok 10219
191: ok 10220
191: ok 10221
191: ok 10222
191: ok 10223
191: ok 10224
191: ok 10225
191: ok 10226
191: ok 10227
191: ok 10228
191: ok 10229
191: ok 10230
191: ok 10231
191: ok 10232
191: ok 10233
191: ok 10234
191: ok 10235
191: ok 10236
191: ok 10237
191: ok 10238
191: ok 10239
191: ok 10240
191: ok 10241
191: ok 10242
191: ok 10243
191: ok 10244
191: ok 10245
191: ok 10246
191: ok 10247
191: ok 10248
191: ok 10249
191: ok 10250
191: ok 10251
191: ok 10252
191: ok 10253
191: ok 10254
191: ok 10255
191: ok 10256
191: ok 10257
191: ok 10258
191: ok 10259
191: ok 10260
191: ok 10261
191: ok 10262
191: ok 10263
191: ok 10264
191: ok 10265
191: ok 10266
191: ok 10267
191: ok 10268
191: ok 10269
191: ok 10270
191: ok 10271
191: ok 10272
191: ok 10273
191: ok 10274
191: ok 10275
191: ok 10276
191: ok 10277
191: ok 10278
191: ok 10279
191: ok 10280
191: ok 10281
191: ok 10282
191: ok 10283
191: ok 10284
191: ok 10285
191: ok 10286
191: ok 10287
191: ok 10288
191: ok 10289
191: ok 10290
191: ok 10291
191: ok 10292
191: ok 10293
191: ok 10294
191: ok 10295
191: ok 10296
191: ok 10297
191: ok 10298
191: ok 10299
191: ok 10300
191: ok 10301
191: ok 10302
191: ok 10303
191: ok 10304
191: ok 10305
191: ok 10306
191: ok 10307
191: ok 10308
191: ok 10309
191: ok 10310
191: ok 10311
191: ok 10312
191: ok 10313
191: ok 10314
191: ok 10315
191: ok 10316
191: ok 10317
191: ok 10318
191: ok 10319
191: ok 10320
191: ok 10321
191: ok 10322
191: ok 10323
191: ok 10324
191: ok 10325
191: ok 10326
191: ok 10327
191: ok 10328
191: ok 10329
191: ok 10330
191: ok 10331
191: ok 10332
191: ok 10333
191: ok 10334
191: ok 10335
191: ok 10336
191: ok 10337
191: ok 10338
191: ok 10339
191: ok 10340
191: ok 10341
191: ok 10342
191: ok 10343
191: ok 10344
191: ok 10345
191: ok 10346
191: ok 10347
191: ok 10348
191: ok 10349
191: ok 10350
191: ok 10351
191: ok 10352
191: ok 10353
191: ok 10354
191: ok 10355
191: ok 10356
191: ok 10357
191: ok 10358
191: ok 10359
191: ok 10360
191: ok 10361
191: ok 10362
191: ok 10363
191: ok 10364
191: ok 10365
191: ok 10366
191: ok 10367
191: ok 10368
191: ok 10369
191: ok 10370
191: ok 10371
191: ok 10372
191: ok 10373
191: ok 10374
191: ok 10375
191: ok 10376
191: ok 10377
191: ok 10378
191: ok 10379
191: ok 10380
191: ok 10381
191: ok 10382
191: ok 10383
191: ok 10384
191: ok 10385
191: ok 10386
191: ok 10387
191: ok 10388
191: ok 10389
191: ok 10390
191: ok 10391
191: ok 10392
191: ok 10393
191: ok 10394
191: ok 10395
191: ok 10396
191: ok 10397
191: ok 10398
191: ok 10399
191: ok 10400
191: ok 10401
191: ok 10402
191: ok 10403
191: ok 10404
191: ok 10405
191: ok 10406
191: ok 10407
191: ok 10408
191: ok 10409
191: ok 10410
191: ok 10411
191: ok 10412
191: ok 10413
191: ok 10414
191: ok 10415
191: ok 10416
191: ok 10417
191: ok 10418
191: ok 10419
191: ok 10420
191: ok 10421
191: ok 10422
191: ok 10423
191: ok 10424
191: ok 10425
191: ok 10426
191: ok 10427
191: ok 10428
191: ok 10429
191: ok 10430
191: ok 10431
191: ok 10432
191: ok 10433
191: ok 10434
191: ok 10435
191: ok 10436
191: ok 10437
191: ok 10438
191: ok 10439
191: ok 10440
191: ok 10441
191: ok 10442
191: ok 10443
191: ok 10444
191: ok 10445
191: ok 10446
191: ok 10447
191: ok 10448
191: ok 10449
191: ok 10450
191: ok 10451
191: ok 10452
191: ok 10453
191: ok 10454
191: ok 10455
191: ok 10456
191: ok 10457
191: ok 10458
191: ok 10459
191: ok 10460
191: ok 10461
191: ok 10462
191: ok 10463
191: ok 10464
191: ok 10465
191: ok 10466
191: ok 10467
191: ok 10468
191: ok 10469
191: ok 10470
191: ok 10471
191: ok 10472
191: ok 10473
191: ok 10474
191: ok 10475
191: ok 10476
191: ok 10477
191: ok 10478
191: ok 10479
191: ok 10480
191: ok 10481
191: ok 10482
191: ok 10483
191: ok 10484
191: ok 10485
191: ok 10486
191: ok 10487
191: ok 10488
191: ok 10489
191: ok 10490
191: ok 10491
191: ok 10492
191: ok 10493
191: ok 10494
191: ok 10495
191: ok 10496
191: ok 10497
191: ok 10498
191: ok 10499
191: ok 10500
191: ok 10501
191: ok 10502
191: ok 10503
191: ok 10504
191: ok 10505
191: ok 10506
191: ok 10507
191: ok 10508
191: ok 10509
191: ok 10510
191: ok 10511
191: ok 10512
191: ok 10513
191: ok 10514
191: ok 10515
191: ok 10516
191: ok 10517
191: ok 10518
191: ok 10519
191: ok 10520
191: ok 10521
191: ok 10522
191: ok 10523
191: ok 10524
191: ok 10525
191: ok 10526
191: ok 10527
191: ok 10528
191: ok 10529
191: ok 10530
191: ok 10531
191: ok 10532
191: ok 10533
191: ok 10534
191: ok 10535
191: ok 10536
191: ok 10537
191: ok 10538
191: ok 10539
191: ok 10540
191: ok 10541
191: ok 10542
191: ok 10543
191: ok 10544
191: ok 10545
191: ok 10546
191: ok 10547
191: ok 10548
191: ok 10549
191: ok 10550
191: ok 10551
191: ok 10552
191: ok 10553
191: ok 10554
191: ok 10555
191: ok 10556
191: ok 10557
191: ok 10558
191: ok 10559
191: ok 10560
191: ok 10561
191: ok 10562
191: ok 10563
191: ok 10564
191: ok 10565
191: ok 10566
191: ok 10567
191: ok 10568
191: ok 10569
191: ok 10570
191: ok 10571
191: ok 10572
191: ok 10573
191: ok 10574
191: ok 10575
191: ok 10576
191: ok 10577
191: ok 10578
191: ok 10579
191: ok 10580
191: ok 10581
191: ok 10582
191: ok 10583
191: ok 10584
191: ok 10585
191: ok 10586
191: ok 10587
191: ok 10588
191: ok 10589
191: ok 10590
191: ok 10591
191: ok 10592
191: ok 10593
191: ok 10594
191: ok 10595
191: ok 10596
191: ok 10597
191: ok 10598
191: ok 10599
191: ok 10600
191: ok 10601
191: ok 10602
191: ok 10603
191: ok 10604
191: ok 10605
191: ok 10606
191: ok 10607
191: ok 10608
191: ok 10609
191: ok 10610
191: ok 10611
191: ok 10612
191: ok 10613
191: ok 10614
191: ok 10615
191: ok 10616
191: ok 10617
191: ok 10618
191: ok 10619
191: ok 10620
191: ok 10621
191: ok 10622
191: ok 10623
191: ok 10624
191: ok 10625
191: ok 10626
191: ok 10627
191: ok 10628
191: ok 10629
191: ok 10630
191: ok 10631
191: ok 10632
191: ok 10633
191: ok 10634
191: ok 10635
191: ok 10636
191: ok 10637
191: ok 10638
191: ok 10639
191: ok 10640
191: ok 10641
191: ok 10642
191: ok 10643
191: ok 10644
191: ok 10645
191: ok 10646
191: ok 10647
191: ok 10648
191: ok 10649
191: ok 10650
191: ok 10651
191: ok 10652
191: ok 10653
191: ok 10654
191: ok 10655
191: ok 10656
191: ok 10657
191: ok 10658
191: ok 10659
191: ok 10660
191: ok 10661
191: ok 10662
191: ok 10663
191: ok 10664
191: ok 10665
191: ok 10666
191: ok 10667
191: ok 10668
191: ok 10669
191: ok 10670
191: ok 10671
191: ok 10672
191: ok 10673
191: ok 10674
191: ok 10675
191: ok 10676
191: ok 10677
191: ok 10678
191: ok 10679
191: ok 10680
191: ok 10681
191: ok 10682
191: ok 10683
191: ok 10684
191: ok 10685
191: ok 10686
191: ok 10687
191: ok 10688
191: ok 10689
191: ok 10690
191: ok 10691
191: ok 10692
191: ok 10693
191: ok 10694
191: ok 10695
191: ok 10696
191: ok 10697
191: ok 10698
191: ok 10699
191: ok 10700
191: ok 10701
191: ok 10702
191: ok 10703
191: ok 10704
191: ok 10705
191: ok 10706
191: ok 10707
191: ok 10708
191: ok 10709
191: ok 10710
191: ok 10711
191: ok 10712
191: ok 10713
191: ok 10714
191: ok 10715
191: ok 10716
191: ok 10717
191: ok 10718
191: ok 10719
191: ok 10720
191: ok 10721
191: ok 10722
191: ok 10723
191: ok 10724
191: ok 10725
191: ok 10726
191: ok 10727
191: ok 10728
191: ok 10729
191: ok 10730
191: ok 10731
191: ok 10732
191: ok 10733
191: ok 10734
191: ok 10735
191: ok 10736
191: ok 10737
191: ok 10738
191: ok 10739
191: ok 10740
191: ok 10741
191: ok 10742
191: ok 10743
191: ok 10744
191: ok 10745
191: ok 10746
191: ok 10747
191: ok 10748
191: ok 10749
191: ok 10750
191: ok 10751
191: ok 10752
191: ok 10753
191: ok 10754
191: ok 10755
191: ok 10756
191: ok 10757
191: ok 10758
191: ok 10759
191: ok 10760
191: ok 10761
191: ok 10762
191: ok 10763
191: ok 10764
191: ok 10765
191: ok 10766
191: ok 10767
191: ok 10768
191: ok 10769
191: ok 10770
191: ok 10771
191: ok 10772
191: ok 10773
191: ok 10774
191: ok 10775
191: ok 10776
191: ok 10777
191: ok 10778
191: ok 10779
191: ok 10780
191: ok 10781
191: ok 10782
191: ok 10783
191: ok 10784
191: ok 10785
191: ok 10786
191: ok 10787
191: ok 10788
191: ok 10789
191: ok 10790
191: ok 10791
191: ok 10792
191: ok 10793
191: ok 10794
191: ok 10795
191: ok 10796
191: ok 10797
191: ok 10798
191: ok 10799
191: ok 10800
191: ok 10801
191: ok 10802
191: ok 10803
191: ok 10804
191: ok 10805
191: ok 10806
191: ok 10807
191: ok 10808
191: ok 10809
191: ok 10810
191: ok 10811
191: ok 10812
191: ok 10813
191: ok 10814
191: ok 10815
191: ok 10816
191: ok 10817
191: ok 10818
191: ok 10819
191: ok 10820
191: ok 10821
191: ok 10822
191: ok 10823
191: ok 10824
191: ok 10825
191: ok 10826
191: ok 10827
191: ok 10828
191: ok 10829
191: ok 10830
191: ok 10831
191: ok 10832
191: ok 10833
191: ok 10834
191: ok 10835
191: ok 10836
191: ok 10837
191: ok 10838
191: ok 10839
191: ok 10840
191: ok 10841
191: ok 10842
191: ok 10843
191: ok 10844
191: ok 10845
191: ok 10846
191: ok 10847
191: ok 10848
191: ok 10849
191: ok 10850
191: ok 10851
191: ok 10852
191: ok 10853
191: ok 10854
191: ok 10855
191: ok 10856
191: ok 10857
191: ok 10858
191: ok 10859
191: ok 10860
191: ok 10861
191: ok 10862
191: ok 10863
191: ok 10864
191: ok 10865
191: ok 10866
191: ok 10867
191: ok 10868
191: ok 10869
191: ok 10870
191: ok 10871
191: ok 10872
191: ok 10873
191: ok 10874
191: ok 10875
191: ok 10876
191: ok 10877
191: ok 10878
191: ok 10879
191: ok 10880
191: ok 10881
191: ok 10882
191: ok 10883
191: ok 10884
191: ok 10885
191: ok 10886
191: ok 10887
191: ok 10888
191: ok 10889
191: ok 10890
191: ok 10891
191: ok 10892
191: ok 10893
191: ok 10894
191: ok 10895
191: ok 10896
191: ok 10897
191: ok 10898
191: ok 10899
191: ok 10900
191: ok 10901
191: ok 10902
191: ok 10903
191: ok 10904
191: ok 10905
191: ok 10906
191: ok 10907
191: ok 10908
191: ok 10909
191: ok 10910
191: ok 10911
191: ok 10912
191: ok 10913
191: ok 10914
191: ok 10915
191: ok 10916
191: ok 10917
191: ok 10918
191: ok 10919
191: ok 10920
191: ok 10921
191: ok 10922
191: ok 10923
191: ok 10924
191: ok 10925
191: ok 10926
191: ok 10927
191: ok 10928
191: ok 10929
191: ok 10930
191: ok 10931
191: ok 10932
191: ok 10933
191: ok 10934
191: ok 10935
191: ok 10936
191: ok 10937
191: ok 10938
191: ok 10939
191: ok 10940
191: ok 10941
191: ok 10942
191: ok 10943
191: ok 10944
191: ok 10945
191: ok 10946
191: ok 10947
191: ok 10948
191: ok 10949
191: ok 10950
191: ok 10951
191: ok 10952
191: ok 10953
191: ok 10954
191: ok 10955
191: ok 10956
191: ok 10957
191: ok 10958
191: ok 10959
191: ok 10960
191: ok 10961
191: ok 10962
191: ok 10963
191: ok 10964
191: ok 10965
191: ok 10966
191: ok 10967
191: ok 10968
191: ok 10969
191: ok 10970
191: ok 10971
191: ok 10972
191: ok 10973
191: ok 10974
191: ok 10975
191: ok 10976
191: ok 10977
191: ok 10978
191: ok 10979
191: ok 10980
191: ok 10981
191: ok 10982
191: ok 10983
191: ok 10984
191: ok 10985
191: ok 10986
191: ok 10987
191: ok 10988
191: ok 10989
191: ok 10990
191: ok 10991
191: ok 10992
191: ok 10993
191: ok 10994
191: ok 10995
191: ok 10996
191: ok 10997
191: ok 10998
191: ok 10999
191: ok 11000
191: ok 11001
191: ok 11002
191: ok 11003
191: ok 11004
191: ok 11005
191: ok 11006
191: ok 11007
191: ok 11008
191: ok 11009
191: ok 11010
191: ok 11011
191: ok 11012
191: ok 11013
191: ok 11014
191: ok 11015
191: ok 11016
191: ok 11017
191: ok 11018
191: ok 11019
191: ok 11020
191: ok 11021
191: ok 11022
191: ok 11023
191: ok 11024
191: ok 11025
191: ok 11026
191: ok 11027
191: ok 11028
191: ok 11029
191: ok 11030
191: ok 11031
191: ok 11032
191: ok 11033
191: ok 11034
191: ok 11035
191: ok 11036
191: ok 11037
191: ok 11038
191: ok 11039
191: ok 11040
191: ok 11041
191: ok 11042
191: ok 11043
191: ok 11044
191: ok 11045
191: ok 11046
191: ok 11047
191: ok 11048
191: ok 11049
191: ok 11050
191: ok 11051
191: ok 11052
191: ok 11053
191: ok 11054
191: ok 11055
191: ok 11056
191: ok 11057
191: ok 11058
191: ok 11059
191: ok 11060
191: ok 11061
191: ok 11062
191: ok 11063
191: ok 11064
191: ok 11065
191: ok 11066
191: ok 11067
191: ok 11068
191: ok 11069
191: ok 11070
191: ok 11071
191: ok 11072
191: ok 11073
191: ok 11074
191: ok 11075
191: ok 11076
191: ok 11077
191: ok 11078
191: ok 11079
191: ok 11080
191: ok 11081
191: ok 11082
191: ok 11083
191: ok 11084
191: ok 11085
191: ok 11086
191: ok 11087
191: ok 11088
191: ok 11089
191: ok 11090
191: ok 11091
191: ok 11092
191: ok 11093
191: ok 11094
191: ok 11095
191: ok 11096
191: ok 11097
191: ok 11098
191: ok 11099
191: ok 11100
191: ok 11101
191: ok 11102
191: ok 11103
191: ok 11104
191: ok 11105
191: ok 11106
191: ok 11107
191: ok 11108
191: ok 11109
191: ok 11110
191: ok 11111
191: ok 11112
191: ok 11113
191: ok 11114
191: ok 11115
191: ok 11116
191: ok 11117
191: ok 11118
191: ok 11119
191: ok 11120
191: ok 11121
191: ok 11122
191: ok 11123
191: ok 11124
191: ok 11125
191: ok 11126
191: ok 11127
191: ok 11128
191: ok 11129
191: ok 11130
191: ok 11131
191: ok 11132
191: ok 11133
191: ok 11134
191: ok 11135
191: ok 11136
191: ok 11137
191: ok 11138
191: ok 11139
191: ok 11140
191: ok 11141
191: ok 11142
191: ok 11143
191: ok 11144
191: ok 11145
191: ok 11146
191: ok 11147
191: ok 11148
191: ok 11149
191: ok 11150
191: ok 11151
191: ok 11152
191: ok 11153
191: ok 11154
191: ok 11155
191: ok 11156
191: ok 11157
191: ok 11158
191: ok 11159
191: ok 11160
191: ok 11161
191: ok 11162
191: ok 11163
191: ok 11164
191: ok 11165
191: ok 11166
191: ok 11167
191: ok 11168
191: ok 11169
191: ok 11170
191: ok 11171
191: ok 11172
191: ok 11173
191: ok 11174
191: ok 11175
191: ok 11176
191: ok 11177
191: ok 11178
191: ok 11179
191: ok 11180
191: ok 11181
191: ok 11182
191: ok 11183
191: ok 11184
191: ok 11185
191: ok 11186
191: ok 11187
191: ok 11188
191: ok 11189
191: ok 11190
191: ok 11191
191: ok 11192
191: ok 11193
191: ok 11194
191: ok 11195
191: ok 11196
191: ok 11197
191: ok 11198
191: ok 11199
191: ok 11200
191: ok 11201
191: ok 11202
191: ok 11203
191: ok 11204
191: ok 11205
191: ok 11206
191: ok 11207
191: ok 11208
191: ok 11209
191: ok 11210
191: ok 11211
191: ok 11212
191: ok 11213
191: ok 11214
191: ok 11215
191: ok 11216
191: ok 11217
191: ok 11218
191: ok 11219
191: ok 11220
191: ok 11221
191: ok 11222
191: ok 11223
191: ok 11224
191: ok 11225
191: ok 11226
191: ok 11227
191: ok 11228
191: ok 11229
191: ok 11230
191: ok 11231
191: ok 11232
191: ok 11233
191: ok 11234
191: ok 11235
191: ok 11236
191: ok 11237
191: ok 11238
191: ok 11239
191: ok 11240
191: ok 11241
191: ok 11242
191: ok 11243
191: ok 11244
191: ok 11245
191: ok 11246
191: ok 11247
191: ok 11248
191: ok 11249
191: ok 11250
191: ok 11251
191: ok 11252
191: ok 11253
191: ok 11254
191: ok 11255
191: ok 11256
191: ok 11257
191: ok 11258
191: ok 11259
191: ok 11260
191: ok 11261
191: ok 11262
191: ok 11263
191: ok 11264
191: ok 11265
191: ok 11266
191: ok 11267
191: ok 11268
191: ok 11269
191: ok 11270
191: ok 11271
191: ok 11272
191: ok 11273
191: ok 11274
191: ok 11275
191: ok 11276
191: ok 11277
191: ok 11278
191: ok 11279
191: ok 11280
191: ok 11281
191: ok 11282
191: ok 11283
191: ok 11284
191: ok 11285
191: ok 11286
191: ok 11287
191: ok 11288
191: ok 11289
191: ok 11290
191: ok 11291
191: ok 11292
191: ok 11293
191: ok 11294
191: ok 11295
191: ok 11296
191: ok 11297
191: ok 11298
191: ok 11299
191: ok 11300
191: ok 11301
191: ok 11302
191: ok 11303
191: ok 11304
191: ok 11305
191: ok 11306
191: ok 11307
191: ok 11308
191: ok 11309
191: ok 11310
191: ok 11311
191: ok 11312
191: ok 11313
191: ok 11314
191: ok 11315
191: ok 11316
191: ok 11317
191: ok 11318
191: ok 11319
191: ok 11320
191: ok 11321
191: ok 11322
191: ok 11323
191: ok 11324
191: ok 11325
191: ok 11326
191: ok 11327
191: ok 11328
191: ok 11329
191: ok 11330
191: ok 11331
191: ok 11332
191: ok 11333
191: ok 11334
191: ok 11335
191: ok 11336
191: ok 11337
191: ok 11338
191: ok 11339
191: ok 11340
191: ok 11341
191: ok 11342
191: ok 11343
191: ok 11344
191: ok 11345
191: ok 11346
191: ok 11347
191: ok 11348
191: ok 11349
191: ok 11350
191: ok 11351
191: ok 11352
191: ok 11353
191: ok 11354
191: ok 11355
191: ok 11356
191: ok 11357
191: ok 11358
191: ok 11359
191: ok 11360
191: ok 11361
191: ok 11362
191: ok 11363
191: ok 11364
191: ok 11365
191: ok 11366
191: ok 11367
191: ok 11368
191: ok 11369
191: ok 11370
191: ok 11371
191: ok 11372
191: ok 11373
191: ok 11374
191: ok 11375
191: ok 11376
191: ok 11377
191: ok 11378
191: ok 11379
191: ok 11380
191: ok 11381
191: ok 11382
191: ok 11383
191: ok 11384
191: ok 11385
191: ok 11386
191: ok 11387
191: ok 11388
191: ok 11389
191: ok 11390
191: ok 11391
191: ok 11392
191: ok 11393
191: ok 11394
191: ok 11395
191: ok 11396
191: ok 11397
191: ok 11398
191: ok 11399
191: ok 11400
191: ok 11401
191: ok 11402
191: ok 11403
191: ok 11404
191: ok 11405
191: ok 11406
191: ok 11407
191: ok 11408
191: ok 11409
191: ok 11410
191: ok 11411
191: ok 11412
191: ok 11413
191: ok 11414
191: ok 11415
191: ok 11416
191: ok 11417
191: ok 11418
191: ok 11419
191: ok 11420
191: ok 11421
191: ok 11422
191: ok 11423
191: ok 11424
191: ok 11425
191: ok 11426
191: ok 11427
191: ok 11428
191: ok 11429
191: ok 11430
191: ok 11431
191: ok 11432
191: ok 11433
191: ok 11434
191: ok 11435
191: ok 11436
191: ok 11437
191: ok 11438
191: ok 11439
191: ok 11440
191: ok 11441
191: ok 11442
191: ok 11443
191: ok 11444
191: ok 11445
191: ok 11446
191: ok 11447
191: ok 11448
191: ok 11449
191: ok 11450
191: ok 11451
191: ok 11452
191: ok 11453
191: ok 11454
191: ok 11455
191: ok 11456
191: ok 11457
191: ok 11458
191: ok 11459
191: ok 11460
191: ok 11461
191: ok 11462
191: ok 11463
191: ok 11464
191: ok 11465
191: ok 11466
191: ok 11467
191: ok 11468
191: ok 11469
191: ok 11470
191: ok 11471
191: ok 11472
191: ok 11473
191: ok 11474
191: ok 11475
191: ok 11476
191: ok 11477
191: ok 11478
191: ok 11479
191: ok 11480
191: ok 11481
191: ok 11482
191: ok 11483
191: ok 11484
191: ok 11485
191: ok 11486
191: ok 11487
191: ok 11488
191: ok 11489
191: ok 11490
191: ok 11491
191: ok 11492
191: ok 11493
191: ok 11494
191: ok 11495
191: ok 11496
191: ok 11497
191: ok 11498
191: ok 11499
191: ok 11500
191: ok 11501
191: ok 11502
191: ok 11503
191: ok 11504
191: ok 11505
191: ok 11506
191: ok 11507
191: ok 11508
191: ok 11509
191: ok 11510
191: ok 11511
191: ok 11512
191: ok 11513
191: ok 11514
191: ok 11515
191: ok 11516
191: ok 11517
191: ok 11518
191: ok 11519
191: ok 11520
191: ok 11521
191: ok 11522
191: ok 11523
191: ok 11524
191: ok 11525
191: ok 11526
191: ok 11527
191: ok 11528
191: ok 11529
191: ok 11530
191: ok 11531
191: ok 11532
191: ok 11533
191: ok 11534
191: ok 11535
191: ok 11536
191: ok 11537
191: ok 11538
191: ok 11539
191: ok 11540
191: ok 11541
191: ok 11542
191: ok 11543
191: ok 11544
191: ok 11545
191: ok 11546
191: ok 11547
191: ok 11548
191: ok 11549
191: ok 11550
191: ok 11551
191: ok 11552
191: ok 11553
191: ok 11554
191: ok 11555
191: ok 11556
191: ok 11557
191: ok 11558
191: ok 11559
191: ok 11560
191: ok 11561
191: ok 11562
191: ok 11563
191: ok 11564
191: ok 11565
191: ok 11566
191: ok 11567
191: ok 11568
191: ok 11569
191: ok 11570
191: ok 11571
191: ok 11572
191: ok 11573
191: ok 11574
191: ok 11575
191: ok 11576
191: ok 11577
191: ok 11578
191: ok 11579
191: ok 11580
191: ok 11581
191: ok 11582
191: ok 11583
191: ok 11584
191: ok 11585
191: ok 11586
191: ok 11587
191: ok 11588
191: ok 11589
191: ok 11590
191: ok 11591
191: ok 11592
191: ok 11593
191: ok 11594
191: ok 11595
191: ok 11596
191: ok 11597
191: ok 11598
191: ok 11599
191: ok 11600
191: ok 11601
191: ok 11602
191: ok 11603
191: ok 11604
191: ok 11605
191: ok 11606
191: ok 11607
191: ok 11608
191: ok 11609
191: ok 11610
191: ok 11611
191: ok 11612
191: ok 11613
191: ok 11614
191: ok 11615
191: ok 11616
191: ok 11617
191: ok 11618
191: ok 11619
191: ok 11620
191: ok 11621
191: ok 11622
191: ok 11623
191: ok 11624
191: ok 11625
191: ok 11626
191: ok 11627
191: ok 11628
191: ok 11629
191: ok 11630
191: ok 11631
191: ok 11632
191: ok 11633
191: ok 11634
191: ok 11635
191: ok 11636
191: ok 11637
191: ok 11638
191: ok 11639
191: ok 11640
191: ok 11641
191: ok 11642
191: ok 11643
191: ok 11644
191: ok 11645
191: ok 11646
191: ok 11647
191: ok 11648
191: ok 11649
191: ok 11650
191: ok 11651
191: ok 11652
191: ok 11653
191: ok 11654
191: ok 11655
191: ok 11656
191: ok 11657
191: ok 11658
191: ok 11659
191: ok 11660
191: ok 11661
191: ok 11662
191: ok 11663
191: ok 11664
191: ok 11665
191: ok 11666
191: ok 11667
191: ok 11668
191: ok 11669
191: ok 11670
191: ok 11671
191: ok 11672
191: ok 11673
191: ok 11674
191: ok 11675
191: ok 11676
191: ok 11677
191: ok 11678
191: ok 11679
191: ok 11680
191: ok 11681
191: ok 11682
191: ok 11683
191: ok 11684
191: ok 11685
191: ok 11686
191: ok 11687
191: ok 11688
191: ok 11689
191: ok 11690
191: ok 11691
191: ok 11692
191: ok 11693
191: ok 11694
191: ok 11695
191: ok 11696
191: ok 11697
191: ok 11698
191: ok 11699
191: ok 11700
191: ok 11701
191: ok 11702
191: ok 11703
191: ok 11704
191: ok 11705
191: ok 11706
191: ok 11707
191: ok 11708
191: ok 11709
191: ok 11710
191: ok 11711
191: ok 11712
191: ok 11713
191: ok 11714
191: ok 11715
191: ok 11716
191: ok 11717
191: ok 11718
191: ok 11719
191: ok 11720
191: ok 11721
191: ok 11722
191: ok 11723
191: ok 11724
191: ok 11725
191: ok 11726
191: ok 11727
191: ok 11728
191: ok 11729
191: ok 11730
191: ok 11731
191: ok 11732
191: ok 11733
191: ok 11734
191: ok 11735
191: ok 11736
191: ok 11737
191: ok 11738
191: ok 11739
191: ok 11740
191: ok 11741
191: ok 11742
191: ok 11743
191: ok 11744
191: ok 11745
191: ok 11746
191: ok 11747
191: ok 11748
191: ok 11749
191: ok 11750
191: ok 11751
191: ok 11752
191: ok 11753
191: ok 11754
191: ok 11755
191: ok 11756
191: ok 11757
191: ok 11758
191: ok 11759
191: ok 11760
191: ok 11761
191: ok 11762
191: ok 11763
191: ok 11764
191: ok 11765
191: ok 11766
191: ok 11767
191: ok 11768
191: ok 11769
191: ok 11770
191: ok 11771
191: ok 11772
191: ok 11773
191: ok 11774
191: ok 11775
191: ok 11776
191: ok 11777
191: ok 11778
191: ok 11779
191: ok 11780
191: ok 11781
191: ok 11782
191: ok 11783
191: ok 11784
191: ok 11785
191: ok 11786
191: ok 11787
191: ok 11788
191: ok 11789
191: ok 11790
191: ok 11791
191: ok 11792
191: ok 11793
191: ok 11794
191: ok 11795
191: ok 11796
191: ok 11797
191: ok 11798
191: ok 11799
191: ok 11800
191: ok 11801
191: ok 11802
191: ok 11803
191: ok 11804
191: ok 11805
191: ok 11806
191: ok 11807
191: ok 11808
191: ok 11809
191: ok 11810
191: ok 11811
191: ok 11812
191: ok 11813
191: ok 11814
191: ok 11815
191: ok 11816
191: ok 11817
191: ok 11818
191: ok 11819
191: ok 11820
191: ok 11821
191: ok 11822
191: ok 11823
191: ok 11824
191: ok 11825
191: ok 11826
191: ok 11827
191: ok 11828
191: ok 11829
191: ok 11830
191: ok 11831
191: ok 11832
191: ok 11833
191: ok 11834
191: ok 11835
191: ok 11836
191: ok 11837
191: ok 11838
191: ok 11839
191: ok 11840
191: ok 11841
191: ok 11842
191: ok 11843
191: ok 11844
191: ok 11845
191: ok 11846
191: ok 11847
191: ok 11848
191: ok 11849
191: ok 11850
191: ok 11851
191: ok 11852
191: ok 11853
191: ok 11854
191: ok 11855
191: ok 11856
191: ok 11857
191: ok 11858
191: ok 11859
191: ok 11860
191: ok 11861
191: ok 11862
191: ok 11863
191: ok 11864
191: ok 11865
191: ok 11866
191: ok 11867
191: ok 11868
191: ok 11869
191: ok 11870
191: ok 11871
191: ok 11872
191: ok 11873
191: ok 11874
191: ok 11875
191: ok 11876
191: ok 11877
191: ok 11878
191: ok 11879
191: ok 11880
191: ok 11881
191: ok 11882
191: ok 11883
191: ok 11884
191: ok 11885
191: ok 11886
191: ok 11887
191: ok 11888
191: ok 11889
191: ok 11890
191: ok 11891
191: ok 11892
191: ok 11893
191: ok 11894
191: ok 11895
191: ok 11896
191: ok 11897
191: ok 11898
191: ok 11899
191: ok 11900
191: ok 11901
191: ok 11902
191: ok 11903
191: ok 11904
191: ok 11905
191: ok 11906
191: ok 11907
191: ok 11908
191: ok 11909
191: ok 11910
191: ok 11911
191: ok 11912
191: ok 11913
191: ok 11914
191: ok 11915
191: ok 11916
191: ok 11917
191: ok 11918
191: ok 11919
191: ok 11920
191: ok 11921
191: ok 11922
191: ok 11923
191: ok 11924
191: ok 11925
191: ok 11926
191: ok 11927
191: ok 11928
191: ok 11929
191: ok 11930
191: ok 11931
191: ok 11932
191: ok 11933
191: ok 11934
191: ok 11935
191: ok 11936
191: ok 11937
191: ok 11938
191: ok 11939
191: ok 11940
191: ok 11941
191: ok 11942
191: ok 11943
191: ok 11944
191: ok 11945
191: ok 11946
191: ok 11947
191: ok 11948
191: ok 11949
191: ok 11950
191: ok 11951
191: ok 11952
191: ok 11953
191: ok 11954
191: ok 11955
191: ok 11956
191: ok 11957
191: ok 11958
191: ok 11959
191: ok 11960
191: ok 11961
191: ok 11962
191: ok 11963
191: ok 11964
191: ok 11965
191: ok 11966
191: ok 11967
191: ok 11968
191: ok 11969
191: ok 11970
191: ok 11971
191: ok 11972
191: ok 11973
191: ok 11974
191: ok 11975
191: ok 11976
191: ok 11977
191: ok 11978
191: ok 11979
191: ok 11980
191: ok 11981
191: ok 11982
191: ok 11983
191: ok 11984
191: ok 11985
191: ok 11986
191: ok 11987
191: ok 11988
191: ok 11989
191: ok 11990
191: ok 11991
191: ok 11992
191: ok 11993
191: ok 11994
191: ok 11995
191: ok 11996
191: ok 11997
191: ok 11998
191: ok 11999
191: ok 12000
191: ok 12001
191: ok 12002
191: ok 12003
191: ok 12004
191: ok 12005
191: ok 12006
191: ok 12007
191: ok 12008
191: ok 12009
191: ok 12010
191: ok 12011
191: ok 12012
191: ok 12013
191: ok 12014
191: ok 12015
191: ok 12016
191: ok 12017
191: ok 12018
191: ok 12019
191: ok 12020
191: ok 12021
191: ok 12022
191: ok 12023
191: ok 12024
191: ok 12025
191: ok 12026
191: ok 12027
191: ok 12028
191: ok 12029
191: ok 12030
191: ok 12031
191: ok 12032
191: ok 12033
191: ok 12034
191: ok 12035
191: ok 12036
191: ok 12037
191: ok 12038
191: ok 12039
191: ok 12040
191: ok 12041
191: ok 12042
191: ok 12043
191: ok 12044
191: ok 12045
191: ok 12046
191: ok 12047
191: ok 12048
191: ok 12049
191: ok 12050
191: ok 12051
191: ok 12052
191: ok 12053
191: ok 12054
191: ok 12055
191: ok 12056
191: ok 12057
191: ok 12058
191: ok 12059
191: ok 12060
191: ok 12061
191: ok 12062
191: ok 12063
191: ok 12064
191: ok 12065
191: ok 12066
191: ok 12067
191: ok 12068
191: ok 12069
191: ok 12070
191: ok 12071
191: ok 12072
191: ok 12073
191: ok 12074
191: ok 12075
191: ok 12076
191: ok 12077
191: ok 12078
191: ok 12079
191: ok 12080
191: ok 12081
191: ok 12082
191: ok 12083
191: ok 12084
191: ok 12085
191: ok 12086
191: ok 12087
191: ok 12088
191: ok 12089
191: ok 12090
191: ok 12091
191: ok 12092
191: ok 12093
191: ok 12094
191: ok 12095
191: ok 12096
191: ok 12097
191: ok 12098
191: ok 12099
191: ok 12100
191: ok 12101
191: ok 12102
191: ok 12103
191: ok 12104
191: ok 12105
191: ok 12106
191: ok 12107
191: ok 12108
191: ok 12109
191: ok 12110
191: ok 12111
191: ok 12112
191: ok 12113
191: ok 12114
191: ok 12115
191: ok 12116
191: ok 12117
191: ok 12118
191: ok 12119
191: ok 12120
191: ok 12121
191: ok 12122
191: ok 12123
191: ok 12124
191: ok 12125
191: ok 12126
191: ok 12127
191: ok 12128
191: ok 12129
191: ok 12130
191: ok 12131
191: ok 12132
191: ok 12133
191: ok 12134
191: ok 12135
191: ok 12136
191: ok 12137
191: ok 12138
191: ok 12139
191: ok 12140
191: ok 12141
191: ok 12142
191: ok 12143
191: ok 12144
191: ok 12145
191: ok 12146
191: ok 12147
191: ok 12148
191: ok 12149
191: ok 12150
191: ok 12151
191: ok 12152
191: ok 12153
191: ok 12154
191: ok 12155
191: ok 12156
191: ok 12157
191: ok 12158
191: ok 12159
191: ok 12160
191: ok 12161
191: ok 12162
191: ok 12163
191: ok 12164
191: ok 12165
191: ok 12166
191: ok 12167
191: ok 12168
191: ok 12169
191: ok 12170
191: ok 12171
191: ok 12172
191: ok 12173
191: ok 12174
191: ok 12175
191: ok 12176
191: ok 12177
191: ok 12178
191: ok 12179
191: ok 12180
191: ok 12181
191: ok 12182
191: ok 12183
191: ok 12184
191: ok 12185
191: ok 12186
191: ok 12187
191: ok 12188
191: ok 12189
191: ok 12190
191: ok 12191
191: ok 12192
191: ok 12193
191: ok 12194
191: ok 12195
191: ok 12196
191: ok 12197
191: ok 12198
191: ok 12199
191: ok 12200
191: ok 12201
191: ok 12202
191: ok 12203
191: ok 12204
191: ok 12205
191: ok 12206
191: ok 12207
191: ok 12208
191: ok 12209
191: ok 12210
191: ok 12211
191: ok 12212
191: ok 12213
191: ok 12214
191: ok 12215
191: ok 12216
191: ok 12217
191: ok 12218
191: ok 12219
191: ok 12220
191: ok 12221
191: ok 12222
191: ok 12223
191: ok 12224
191: ok 12225
191: ok 12226
191: ok 12227
191: ok 12228
191: ok 12229
191: ok 12230
191: ok 12231
191: ok 12232
191: ok 12233
191: ok 12234
191: ok 12235
191: ok 12236
191: ok 12237
191: ok 12238
191: ok 12239
191: ok 12240
191: ok 12241
191: ok 12242
191: ok 12243
191: ok 12244
191: ok 12245
191: ok 12246
191: ok 12247
191: ok 12248
191: ok 12249
191: ok 12250
191: ok 12251
191: ok 12252
191: ok 12253
191: ok 12254
191: ok 12255
191: ok 12256
191: ok 12257
191: ok 12258
191: ok 12259
191: ok 12260
191: ok 12261
191: ok 12262
191: ok 12263
191: ok 12264
191: ok 12265
191: ok 12266
191: ok 12267
191: ok 12268
191: ok 12269
191: ok 12270
191: ok 12271
191: ok 12272
191: ok 12273
191: ok 12274
191: ok 12275
191: ok 12276
191: ok 12277
191: ok 12278
191: ok 12279
191: ok 12280
191: ok 12281
191: ok 12282
191: ok 12283
191: ok 12284
191: ok 12285
191: ok 12286
191: ok 12287
191: ok 12288
191: ok 12289
191: ok 12290
191: ok 12291
191: ok 12292
191: ok 12293
191: ok 12294
191: ok 12295
191: ok 12296
191: ok 12297
191: ok 12298
191: ok 12299
191: ok 12300
191: ok 12301
191: ok 12302
191: ok 12303
191: ok 12304
191: ok 12305
191: ok 12306
191: ok 12307
191: ok 12308
191: ok 12309
191: ok 12310
191: ok 12311
191: ok 12312
191: ok 12313
191: ok 12314
191: ok 12315
191: ok 12316
191: ok 12317
191: ok 12318
191: ok 12319
191: ok 12320
191: ok 12321
191: ok 12322
191: ok 12323
191: ok 12324
191: ok 12325
191: ok 12326
191: ok 12327
191: ok 12328
191: ok 12329
191: ok 12330
191: ok 12331
191: ok 12332
191: ok 12333
191: ok 12334
191: ok 12335
191: ok 12336
191: ok 12337
191: ok 12338
191: ok 12339
191: ok 12340
191: ok 12341
191: ok 12342
191: ok 12343
191: ok 12344
191: ok 12345
191: ok 12346
191: ok 12347
191: ok 12348
191: ok 12349
191: ok 12350
191: ok 12351
191: ok 12352
191: ok 12353
191: ok 12354
191: ok 12355
191: ok 12356
191: ok 12357
191: ok 12358
191: ok 12359
191: ok 12360
191: ok 12361
191: ok 12362
191: ok 12363
191: ok 12364
191: ok 12365
191: ok 12366
191: ok 12367
191: ok 12368
191: ok 12369
191: ok 12370
191: ok 12371
191: ok 12372
191: ok 12373
191: ok 12374
191: ok 12375
191: ok 12376
191: ok 12377
191: ok 12378
191: ok 12379
191: ok 12380
191: ok 12381
191: ok 12382
191: ok 12383
191: ok 12384
191: ok 12385
191: ok 12386
191: ok 12387
191: ok 12388
191: ok 12389
191: ok 12390
191: ok 12391
191: ok 12392
191: ok 12393
191: ok 12394
191: ok 12395
191: ok 12396
191: ok 12397
191: ok 12398
191: ok 12399
191: ok 12400
191: ok 12401
191: ok 12402
191: ok 12403
191: ok 12404
191: ok 12405
191: ok 12406
191: ok 12407
191: ok 12408
191: ok 12409
191: ok 12410
191: ok 12411
191: ok 12412
191: ok 12413
191: ok 12414
191: ok 12415
191: ok 12416
191: ok 12417
191: ok 12418
191: ok 12419
191: ok 12420
191: ok 12421
191: ok 12422
191: ok 12423
191: ok 12424
191: ok 12425
191: ok 12426
191: ok 12427
191: ok 12428
191: ok 12429
191: ok 12430
191: ok 12431
191: ok 12432
191: ok 12433
191: ok 12434
191: ok 12435
191: ok 12436
191: ok 12437
191: ok 12438
191: ok 12439
191: ok 12440
191: ok 12441
191: ok 12442
191: ok 12443
191: ok 12444
191: ok 12445
191: ok 12446
191: ok 12447
191: ok 12448
191: ok 12449
191: ok 12450
191: ok 12451
191: ok 12452
191: ok 12453
191: ok 12454
191: ok 12455
191: ok 12456
191: ok 12457
191: ok 12458
191: ok 12459
191: ok 12460
191: ok 12461
191: ok 12462
191: ok 12463
191: ok 12464
191: ok 12465
191: ok 12466
191: ok 12467
191: ok 12468
191: ok 12469
191: ok 12470
191: ok 12471
191: ok 12472
191: ok 12473
191: ok 12474
191: ok 12475
191: ok 12476
191: ok 12477
191: ok 12478
191: ok 12479
191: ok 12480
191: ok 12481
191: ok 12482
191: ok 12483
191: ok 12484
191: ok 12485
191: ok 12486
191: ok 12487
191: ok 12488
191: ok 12489
191: ok 12490
191: ok 12491
191: ok 12492
191: ok 12493
191: ok 12494
191: ok 12495
191: ok 12496
191: ok 12497
191: ok 12498
191: ok 12499
191: ok 12500
191: ok 12501
191: ok 12502
191: ok 12503
191: ok 12504
191: ok 12505
191: ok 12506
191: ok 12507
191: ok 12508
191: ok 12509
191: ok 12510
191: ok 12511
191: ok 12512
191: ok 12513
191: ok 12514
191: ok 12515
191: ok 12516
191: ok 12517
191: ok 12518
191: ok 12519
191: ok 12520
191: ok 12521
191: ok 12522
191: ok 12523
191: ok 12524
191: ok 12525
191: ok 12526
191: ok 12527
191: ok 12528
191: ok 12529
191: ok 12530
191: ok 12531
191: ok 12532
191: ok 12533
191: ok 12534
191: ok 12535
191: ok 12536
191: ok 12537
191: ok 12538
191: ok 12539
191: ok 12540
191: ok 12541
191: ok 12542
191: ok 12543
191: ok 12544
191: ok 12545
191: ok 12546
191: ok 12547
191: ok 12548
191: ok 12549
191: ok 12550
191: ok 12551
191: ok 12552
191: ok 12553
191: ok 12554
191: ok 12555
191: ok 12556
191: ok 12557
191: ok 12558
191: ok 12559
191: ok 12560
191: ok 12561
191: ok 12562
191: ok 12563
191: ok 12564
191: ok 12565
191: ok 12566
191: ok 12567
191: ok 12568
191: ok 12569
191: ok 12570
191: ok 12571
191: ok 12572
191: ok 12573
191: ok 12574
191: ok 12575
191: ok 12576
191: ok 12577
191: ok 12578
191: ok 12579
191: ok 12580
191: ok 12581
191: ok 12582
191: ok 12583
191: ok 12584
191: ok 12585
191: ok 12586
191: ok 12587
191: ok 12588
191: ok 12589
191: ok 12590
191: ok 12591
191: ok 12592
191: ok 12593
191: ok 12594
191: ok 12595
191: ok 12596
191: ok 12597
191: ok 12598
191: ok 12599
191: ok 12600
191: ok 12601
191: ok 12602
191: ok 12603
191: ok 12604
191: ok 12605
191: ok 12606
191: ok 12607
191: ok 12608
191: ok 12609
191: ok 12610
191: ok 12611
191: ok 12612
191: ok 12613
191: ok 12614
191: ok 12615
191: ok 12616
191: ok 12617
191: ok 12618
191: ok 12619
191: ok 12620
191: ok 12621
191: ok 12622
191: ok 12623
191: ok 12624
191: ok 12625
191: ok 12626
191: ok 12627
191: ok 12628
191: ok 12629
191: ok 12630
191: ok 12631
191: ok 12632
191: ok 12633
191: ok 12634
191: ok 12635
191: ok 12636
191: ok 12637
191: ok 12638
191: ok 12639
191: ok 12640
191: ok 12641
191: ok 12642
191: ok 12643
191: ok 12644
191: ok 12645
191: ok 12646
191: ok 12647
191: ok 12648
191: ok 12649
191: ok 12650
191: ok 12651
191: ok 12652
191: ok 12653
191: ok 12654
191: ok 12655
191: ok 12656
191: ok 12657
191: ok 12658
191: ok 12659
191: ok 12660
191: ok 12661
191: ok 12662
191: ok 12663
191: ok 12664
191: ok 12665
191: ok 12666
191: ok 12667
191: ok 12668
191: ok 12669
191: ok 12670
191: ok 12671
191: ok 12672
191: ok 12673
191: ok 12674
191: ok 12675
191: ok 12676
191: ok 12677
191: ok 12678
191: ok 12679
191: ok 12680
191: ok 12681
191: ok 12682
191: ok 12683
191: ok 12684
191: ok 12685
191: ok 12686
191: ok 12687
191: ok 12688
191: ok 12689
191: ok 12690
191: ok 12691
191: ok 12692
191: ok 12693
191: ok 12694
191: ok 12695
191: ok 12696
191: ok 12697
191: ok 12698
191: ok 12699
191: ok 12700
191: ok 12701
191: ok 12702
191: ok 12703
191: ok 12704
191: ok 12705
191: ok 12706
191: ok 12707
191: ok 12708
191: ok 12709
191: ok 12710
191: ok 12711
191: ok 12712
191: ok 12713
191: ok 12714
191: ok 12715
191: ok 12716
191: ok 12717
191: ok 12718
191: ok 12719
191: ok 12720
191: ok 12721
191: ok 12722
191: ok 12723
191: ok 12724
191: ok 12725
191: ok 12726
191: ok 12727
191: ok 12728
191: ok 12729
191: ok 12730
191: ok 12731
191: ok 12732
191: ok 12733
191: ok 12734
191: ok 12735
191: ok 12736
191: ok 12737
191: ok 12738
191: ok 12739
191: ok 12740
191: ok 12741
191: ok 12742
191: ok 12743
191: ok 12744
191: ok 12745
191: ok 12746
191: ok 12747
191: ok 12748
191: ok 12749
191: ok 12750
191: ok 12751
191: ok 12752
191: ok 12753
191: ok 12754
191: ok 12755
191: ok 12756
191: ok 12757
191: ok 12758
191: ok 12759
191: ok 12760
191: ok 12761
191: ok 12762
191: ok 12763
191: ok 12764
191: ok 12765
191: ok 12766
191: ok 12767
191: ok 12768
191: ok 12769
191: ok 12770
191: ok 12771
191: ok 12772
191: ok 12773
191: ok 12774
191: ok 12775
191: ok 12776
191: ok 12777
191: ok 12778
191: ok 12779
191: ok 12780
191: ok 12781
191: ok 12782
191: ok 12783
191: ok 12784
191: ok 12785
191: ok 12786
191: ok 12787
191: ok 12788
191: ok 12789
191: ok 12790
191: ok 12791
191: ok 12792
191: ok 12793
191: ok 12794
191: ok 12795
191: ok 12796
191: ok 12797
191: ok 12798
191: ok 12799
191: ok 12800
191: ok 12801
191: ok 12802
191: ok 12803
191: ok 12804
191: ok 12805
191: ok 12806
191: ok 12807
191: ok 12808
191: ok 12809
191: ok 12810
191: ok 12811
191: ok 12812
191: ok 12813
191: ok 12814
191: ok 12815
191: ok 12816
191: ok 12817
191: ok 12818
191: ok 12819
191: ok 12820
191: ok 12821
191: ok 12822
191: ok 12823
191: ok 12824
191: ok 12825
191: ok 12826
191: ok 12827
191: ok 12828
191: ok 12829
191: ok 12830
191: ok 12831
191: ok 12832
191: ok 12833
191: ok 12834
191: ok 12835
191: ok 12836
191: ok 12837
191: ok 12838
191: ok 12839
191: ok 12840
191: ok 12841
191: ok 12842
191: ok 12843
191: ok 12844
191: ok 12845
191: ok 12846
191: ok 12847
191: ok 12848
191: ok 12849
191: ok 12850
191: ok 12851
191: ok 12852
191: ok 12853
191: ok 12854
191: ok 12855
191: ok 12856
191: ok 12857
191: ok 12858
191: ok 12859
191: ok 12860
191: ok 12861
191: ok 12862
191: ok 12863
191: ok 12864
191: ok 12865
191: ok 12866
191: ok 12867
191: ok 12868
191: ok 12869
191: ok 12870
191: ok 12871
191: ok 12872
191: ok 12873
191: ok 12874
191: ok 12875
191: ok 12876
191: ok 12877
191: ok 12878
191: ok 12879
191: ok 12880
191: ok 12881
191: ok 12882
191: ok 12883
191: ok 12884
191: ok 12885
191: ok 12886
191: ok 12887
191: ok 12888
191: ok 12889
191: ok 12890
191: ok 12891
191: ok 12892
191: ok 12893
191: ok 12894
191: ok 12895
191: ok 12896
191: ok 12897
191: ok 12898
191: ok 12899
191: ok 12900
191: ok 12901
191: ok 12902
191: ok 12903
191: ok 12904
191: ok 12905
191: ok 12906
191: ok 12907
191: ok 12908
191: ok 12909
191: ok 12910
191: ok 12911
191: ok 12912
191: ok 12913
191: ok 12914
191: ok 12915
191: ok 12916
191: ok 12917
191: ok 12918
191: ok 12919
191: ok 12920
191: ok 12921
191: ok 12922
191: ok 12923
191: ok 12924
191: ok 12925
191: ok 12926
191: ok 12927
191: ok 12928
191: ok 12929
191: ok 12930
191: ok 12931
191: ok 12932
191: ok 12933
191: ok 12934
191: ok 12935
191: ok 12936
191: ok 12937
191: ok 12938
191: ok 12939
191: ok 12940
191: ok 12941
191: ok 12942
191: ok 12943
191: ok 12944
191: ok 12945
191: ok 12946
191: ok 12947
191: ok 12948
191: ok 12949
191: ok 12950
191: ok 12951
191: ok 12952
191: ok 12953
191: ok 12954
191: ok 12955
191: ok 12956
191: ok 12957
191: ok 12958
191: ok 12959
191: ok 12960
191: ok 12961
191: ok 12962
191: ok 12963
191: ok 12964
191: ok 12965
191: ok 12966
191: ok 12967
191: ok 12968
191: ok 12969
191: ok 12970
191: ok 12971
191: ok 12972
191: ok 12973
191: ok 12974
191: ok 12975
191: ok 12976
191: ok 12977
191: ok 12978
191: ok 12979
191: ok 12980
191: ok 12981
191: ok 12982
191: ok 12983
191: ok 12984
191: ok 12985
191: ok 12986
191: ok 12987
191: ok 12988
191: ok 12989
191: ok 12990
191: ok 12991
191: ok 12992
191: ok 12993
191: ok 12994
191: ok 12995
191: ok 12996
191: ok 12997
191: ok 12998
191: ok 12999
191: ok 13000
191: ok 13001
191: ok 13002
191: ok 13003
191: ok 13004
191: ok 13005
191: ok 13006
191: ok 13007
191: ok 13008
191: ok 13009
191: ok 13010
191: ok 13011
191: ok 13012
191: ok 13013
191: ok 13014
191: ok 13015
191: ok 13016
191: ok 13017
191: ok 13018
191: ok 13019
191: ok 13020
191: ok 13021
191: ok 13022
191: ok 13023
191: ok 13024
191: ok 13025
191: ok 13026
191: ok 13027
191: ok 13028
191: ok 13029
191: ok 13030
191: ok 13031
191: ok 13032
191: ok 13033
191: ok 13034
191: ok 13035
191: ok 13036
191: ok 13037
191: ok 13038
191: ok 13039
191: ok 13040
191: ok 13041
191: ok 13042
191: ok 13043
191: ok 13044
191: ok 13045
191: ok 13046
191: ok 13047
191: ok 13048
191: ok 13049
191: ok 13050
191: ok 13051
191: ok 13052
191: ok 13053
191: ok 13054
191: ok 13055
191: ok 13056
191: ok 13057
191: ok 13058
191: ok 13059
191: ok 13060
191: ok 13061
191: ok 13062
191: ok 13063
191: ok 13064
191: ok 13065
191: ok 13066
191: ok 13067
191: ok 13068
191: ok 13069
191: ok 13070
191: ok 13071
191: ok 13072
191: ok 13073
191: ok 13074
191: ok 13075
191: ok 13076
191: ok 13077
191: ok 13078
191: ok 13079
191: ok 13080
191: ok 13081
191: ok 13082
191: ok 13083
191: ok 13084
191: ok 13085
191: ok 13086
191: ok 13087
191: ok 13088
191: ok 13089
191: ok 13090
191: ok 13091
191: ok 13092
191: ok 13093
191: ok 13094
191: ok 13095
191: ok 13096
191: ok 13097
191: ok 13098
191: ok 13099
191: ok 13100
191: ok 13101
191: ok 13102
191: ok 13103
191: ok 13104
191: ok 13105
191: ok 13106
191: ok 13107
191: ok 13108
191: ok 13109
191: ok 13110
191: ok 13111
191: ok 13112
191: ok 13113
191: ok 13114
191: ok 13115
191: ok 13116
191: ok 13117
191: ok 13118
191: ok 13119
191: ok 13120
191: ok 13121
191: ok 13122
191: ok 13123
191: ok 13124
191: ok 13125
191: ok 13126
191: ok 13127
191: ok 13128
191: ok 13129
191: ok 13130
191: ok 13131
191: ok 13132
191: ok 13133
191: ok 13134
191: ok 13135
191: ok 13136
191: ok 13137
191: ok 13138
191: ok 13139
191: ok 13140
191: ok 13141
191: ok 13142
191: ok 13143
191: ok 13144
191: ok 13145
191: ok 13146
191: ok 13147
191: ok 13148
191: ok 13149
191: ok 13150
191: ok 13151
191: ok 13152
191: ok 13153
191: ok 13154
191: ok 13155
191: ok 13156
191: ok 13157
191: ok 13158
191: ok 13159
191: ok 13160
191: ok 13161
191: ok 13162
191: ok 13163
191: ok 13164
191: ok 13165
191: ok 13166
191: ok 13167
191: ok 13168
191: ok 13169
191: ok 13170
191: ok 13171
191: ok 13172
191: ok 13173
191: ok 13174
191: ok 13175
191: ok 13176
191: ok 13177
191: ok 13178
191: ok 13179
191: ok 13180
191: ok 13181
191: ok 13182
191: ok 13183
191: ok 13184
191: ok 13185
191: ok 13186
191: ok 13187
191: ok 13188
191: ok 13189
191: ok 13190
191: ok 13191
191: ok 13192
191: ok 13193
191: ok 13194
191: ok 13195
191: ok 13196
191: ok 13197
191: ok 13198
191: ok 13199
191: ok 13200
191: ok 13201
191: ok 13202
191: ok 13203
191: ok 13204
191: ok 13205
191: ok 13206
191: ok 13207
191: ok 13208
191: ok 13209
191: ok 13210
191: ok 13211
191: ok 13212
191: ok 13213
191: ok 13214
191: ok 13215
191: ok 13216
191: ok 13217
191: ok 13218
191: ok 13219
191: ok 13220
191: ok 13221
191: ok 13222
191: ok 13223
191: ok 13224
191: ok 13225
191: ok 13226
191: ok 13227
191: ok 13228
191: ok 13229
191: ok 13230
191: ok 13231
191: ok 13232
191: ok 13233
191: ok 13234
191: ok 13235
191: ok 13236
191: ok 13237
191: ok 13238
191: ok 13239
191: ok 13240
191: ok 13241
191: ok 13242
191: ok 13243
191: ok 13244
191: ok 13245
191: ok 13246
191: ok 13247
191: ok 13248
191: ok 13249
191: ok 13250
191: ok 13251
191: ok 13252
191: ok 13253
191: ok 13254
191: ok 13255
191: ok 13256
191: ok 13257
191: ok 13258
191: ok 13259
191: ok 13260
191: ok 13261
191: ok 13262
191: ok 13263
191: ok 13264
191: ok 13265
191: ok 13266
191: ok 13267
191: ok 13268
191: ok 13269
191: ok 13270
191: ok 13271
191: ok 13272
191: ok 13273
191: ok 13274
191: ok 13275
191: ok 13276
191: ok 13277
191: ok 13278
191: ok 13279
191: ok 13280
191: ok 13281
191: ok 13282
191: ok 13283
191: ok 13284
191: ok 13285
191: ok 13286
191: ok 13287
191: ok 13288
191: ok 13289
191: ok 13290
191: ok 13291
191: ok 13292
191: ok 13293
191: ok 13294
191: ok 13295
191: ok 13296
191: ok 13297
191: ok 13298
191: ok 13299
191: ok 13300
191: ok 13301
191: ok 13302
191: ok 13303
191: ok 13304
191: ok 13305
191: ok 13306
191: ok 13307
191: ok 13308
191: ok 13309
191: ok 13310
191: ok 13311
191: ok 13312
191: ok 13313
191: ok 13314
191: ok 13315
191: ok 13316
191: ok 13317
191: ok 13318
191: ok 13319
191: ok 13320
191: ok 13321
191: ok 13322
191: ok 13323
191: ok 13324
191: ok 13325
191: ok 13326
191: ok 13327
191: ok 13328
191: ok 13329
191: ok 13330
191: ok 13331
191: ok 13332
191: ok 13333
191: ok 13334
191: ok 13335
191: ok 13336
191: ok 13337
191: ok 13338
191: ok 13339
191: ok 13340
191: ok 13341
191: ok 13342
191: ok 13343
191: ok 13344
191: ok 13345
191: ok 13346
191: ok 13347
191: ok 13348
191: ok 13349
191: ok 13350
191: ok 13351
191: ok 13352
191: ok 13353
191: ok 13354
191: ok 13355
191: ok 13356
191: ok 13357
191: ok 13358
191: ok 13359
191: ok 13360
191: ok 13361
191: ok 13362
191: ok 13363
191: ok 13364
191: ok 13365
191: ok 13366
191: ok 13367
191: ok 13368
191: ok 13369
191: ok 13370
191: ok 13371
191: ok 13372
191: ok 13373
191: ok 13374
191: ok 13375
191: ok 13376
191: ok 13377
191: ok 13378
191: ok 13379
191: ok 13380
191: ok 13381
191: ok 13382
191: ok 13383
191: ok 13384
191: ok 13385
191: ok 13386
191: ok 13387
191: ok 13388
191: ok 13389
191: ok 13390
191: ok 13391
191: ok 13392
191: ok 13393
191: ok 13394
191: ok 13395
191: ok 13396
191: ok 13397
191: ok 13398
191: ok 13399
191: ok 13400
191: ok 13401
191: ok 13402
191: ok 13403
191: ok 13404
191: ok 13405
191: ok 13406
191: ok 13407
191: ok 13408
191: ok 13409
191: ok 13410
191: ok 13411
191: ok 13412
191: ok 13413
191: ok 13414
191: ok 13415
191: ok 13416
191: ok 13417
191: ok 13418
191: ok 13419
191: ok 13420
191: ok 13421
191: ok 13422
191: ok 13423
191: ok 13424
191: ok 13425
191: ok 13426
191: ok 13427
191: ok 13428
191: ok 13429
191: ok 13430
191: ok 13431
191: ok 13432
191: ok 13433
191: ok 13434
191: ok 13435
191: ok 13436
191: ok 13437
191: ok 13438
191: ok 13439
191: ok 13440
191: ok 13441
191: ok 13442
191: ok 13443
191: ok 13444
191: ok 13445
191: ok 13446
191: ok 13447
191: ok 13448
191: ok 13449
191: ok 13450
191: ok 13451
191: ok 13452
191: ok 13453
191: ok 13454
191: ok 13455
191: ok 13456
191: ok 13457
191: ok 13458
191: ok 13459
191: ok 13460
191: ok 13461
191: ok 13462
191: ok 13463
191: ok 13464
191: ok 13465
191: ok 13466
191: ok 13467
191: ok 13468
191: ok 13469
191: ok 13470
191: ok 13471
191: ok 13472
191: ok 13473
191: ok 13474
191: ok 13475
191: ok 13476
191: ok 13477
191: ok 13478
191: ok 13479
191: ok 13480
191: ok 13481
191: ok 13482
191: ok 13483
191: ok 13484
191: ok 13485
191: ok 13486
191: ok 13487
191: ok 13488
191: ok 13489
191: ok 13490
191: ok 13491
191: ok 13492
191: ok 13493
191: ok 13494
191: ok 13495
191: ok 13496
191: ok 13497
191: ok 13498
191: ok 13499
191: ok 13500
191: ok 13501
191: ok 13502
191: ok 13503
191: ok 13504
191: ok 13505
191: ok 13506
191: ok 13507
191: ok 13508
191: ok 13509
191: ok 13510
191: ok 13511
191: ok 13512
191: ok 13513
191: ok 13514
191: ok 13515
191: ok 13516
191: ok 13517
191: ok 13518
191: ok 13519
191: ok 13520
191: ok 13521
191: ok 13522
191: ok 13523
191: ok 13524
191: ok 13525
191: ok 13526
191: ok 13527
191: ok 13528
191: ok 13529
191: ok 13530
191: ok 13531
191: ok 13532
191: ok 13533
191: ok 13534
191: ok 13535
191: ok 13536
191: ok 13537
191: ok 13538
191: ok 13539
191: ok 13540
191: ok 13541
191: ok 13542
191: ok 13543
191: ok 13544
191: ok 13545
191: ok 13546
191: ok 13547
191: ok 13548
191: ok 13549
191: ok 13550
191: ok 13551
191: ok 13552
191: ok 13553
191: ok 13554
191: ok 13555
191: ok 13556
191: ok 13557
191: ok 13558
191: ok 13559
191: ok 13560
191: ok 13561
191: ok 13562
191: ok 13563
191: ok 13564
191: ok 13565
191: ok 13566
191: ok 13567
191: ok 13568
191: ok 13569
191: ok 13570
191: ok 13571
191: ok 13572
191: ok 13573
191: ok 13574
191: ok 13575
191: ok 13576
191: ok 13577
191: ok 13578
191: ok 13579
191: ok 13580
191: ok 13581
191: ok 13582
191: ok 13583
191: ok 13584
191: ok 13585
191: ok 13586
191: ok 13587
191: ok 13588
191: ok 13589
191: ok 13590
191: ok 13591
191: ok 13592
191: ok 13593
191: ok 13594
191: ok 13595
191: ok 13596
191: ok 13597
191: ok 13598
191: ok 13599
191: ok 13600
191: ok 13601
191: ok 13602
191: ok 13603
191: ok 13604
191: ok 13605
191: ok 13606
191: ok 13607
191: ok 13608
191: ok 13609
191: ok 13610
191: ok 13611
191: ok 13612
191: ok 13613
191: ok 13614
191: ok 13615
191: ok 13616
191: ok 13617
191: ok 13618
191: ok 13619
191: ok 13620
191: ok 13621
191: ok 13622
191: ok 13623
191: ok 13624
191: ok 13625
191: ok 13626
191: ok 13627
191: ok 13628
191: ok 13629
191: ok 13630
191: ok 13631
191: ok 13632
191: ok 13633
191: ok 13634
191: ok 13635
191: ok 13636
191: ok 13637
191: ok 13638
191: ok 13639
191: ok 13640
191: ok 13641
191: ok 13642
191: ok 13643
191: ok 13644
191: ok 13645
191: ok 13646
191: ok 13647
191: ok 13648
191: ok 13649
191: ok 13650
191: ok 13651
191: ok 13652
191: ok 13653
191: ok 13654
191: ok 13655
191: ok 13656
191: ok 13657
191: ok 13658
191: ok 13659
191: ok 13660
191: ok 13661
191: ok 13662
191: ok 13663
191: ok 13664
191: ok 13665
191: ok 13666
191: ok 13667
191: ok 13668
191: ok 13669
191: ok 13670
191: ok 13671
191: ok 13672
191: ok 13673
191: ok 13674
191: ok 13675
191: ok 13676
191: ok 13677
191: ok 13678
191: ok 13679
191: ok 13680
191: ok 13681
191: ok 13682
191: ok 13683
191: ok 13684
191: ok 13685
191: ok 13686
191: ok 13687
191: ok 13688
191: ok 13689
191: ok 13690
191: ok 13691
191: ok 13692
191: ok 13693
191: ok 13694
191: ok 13695
191: ok 13696
191: ok 13697
191: ok 13698
191: ok 13699
191: ok 13700
191: ok 13701
191: ok 13702
191: ok 13703
191: ok 13704
191: ok 13705
191: ok 13706
191: ok 13707
191: ok 13708
191: ok 13709
191: ok 13710
191: ok 13711
191: ok 13712
191: ok 13713
191: ok 13714
191: ok 13715
191: ok 13716
191: ok 13717
191: ok 13718
191: ok 13719
191: ok 13720
191: ok 13721
191: ok 13722
191: ok 13723
191: ok 13724
191: ok 13725
191: ok 13726
191: ok 13727
191: ok 13728
191: ok 13729
191: ok 13730
191: ok 13731
191: ok 13732
191: ok 13733
191: ok 13734
191: ok 13735
191: ok 13736
191: ok 13737
191: ok 13738
191: ok 13739
191: ok 13740
191: ok 13741
191: ok 13742
191: ok 13743
191: ok 13744
191: ok 13745
191: ok 13746
191: ok 13747
191: ok 13748
191: ok 13749
191: ok 13750
191: ok 13751
191: ok 13752
191: ok 13753
191: ok 13754
191: ok 13755
191: ok 13756
191: ok 13757
191: ok 13758
191: ok 13759
191: ok 13760
191: ok 13761
191: ok 13762
191: ok 13763
191: ok 13764
191: ok 13765
191: ok 13766
191: ok 13767
191: ok 13768
191: ok 13769
191: ok 13770
191: ok 13771
191: ok 13772
191: ok 13773
191: ok 13774
191: ok 13775
191: ok 13776
191: ok 13777
191: ok 13778
191: ok 13779
191: ok 13780
191: ok 13781
191: ok 13782
191: ok 13783
191: ok 13784
191: ok 13785
191: ok 13786
191: ok 13787
191: ok 13788
191: ok 13789
191: ok 13790
191: ok 13791
191: ok 13792
191: ok 13793
191: ok 13794
191: ok 13795
191: ok 13796
191: ok 13797
191: ok 13798
191: ok 13799
191: ok 13800
191: ok 13801
191: ok 13802
191: ok 13803
191: ok 13804
191: ok 13805
191: ok 13806
191: ok 13807
191: ok 13808
191: ok 13809
191: ok 13810
191: ok 13811
191: ok 13812
191: ok 13813
191: ok 13814
191: ok 13815
191: ok 13816
191: ok 13817
191: ok 13818
191: ok 13819
191: ok 13820
191: ok 13821
191: ok 13822
191: ok 13823
191: ok 13824
191: ok 13825
191: ok 13826
191: ok 13827
191: ok 13828
191: ok 13829
191: ok 13830
191: ok 13831
191: ok 13832
191: ok 13833
191: ok 13834
191: ok 13835
191: ok 13836
191: ok 13837
191: ok 13838
191: ok 13839
191: ok 13840
191: ok 13841
191: ok 13842
191: ok 13843
191: ok 13844
191: ok 13845
191: ok 13846
191: ok 13847
191: ok 13848
191: ok 13849
191: ok 13850
191: ok 13851
191: ok 13852
191: ok 13853
191: ok 13854
191: ok 13855
191: ok 13856
191: ok 13857
191: ok 13858
191: ok 13859
191: ok 13860
191: ok 13861
191: ok 13862
191: ok 13863
191: ok 13864
191: ok 13865
191: ok 13866
191: ok 13867
191: ok 13868
191: ok 13869
191: ok 13870
191: ok 13871
191: ok 13872
191: ok 13873
191: ok 13874
191: ok 13875
191: ok 13876
191: ok 13877
191: ok 13878
191: ok 13879
191: ok 13880
191: ok 13881
191: ok 13882
191: ok 13883
191: ok 13884
191: ok 13885
191: ok 13886
191: ok 13887
191: ok 13888
191: ok 13889
191: ok 13890
191: ok 13891
191: ok 13892
191: ok 13893
191: ok 13894
191: ok 13895
191: ok 13896
191: ok 13897
191: ok 13898
191: ok 13899
191: ok 13900
191: ok 13901
191: ok 13902
191: ok 13903
191: ok 13904
191: ok 13905
191: ok 13906
191: ok 13907
191: ok 13908
191: ok 13909
191: ok 13910
191: ok 13911
191: ok 13912
191: ok 13913
191: ok 13914
191: ok 13915
191: ok 13916
191: ok 13917
191: ok 13918
191: ok 13919
191: ok 13920
191: ok 13921
191: ok 13922
191: ok 13923
191: ok 13924
191: ok 13925
191: ok 13926
191: ok 13927
191: ok 13928
191: ok 13929
191: ok 13930
191: ok 13931
191: ok 13932
191: ok 13933
191: ok 13934
191: ok 13935
191: ok 13936
191: ok 13937
191: ok 13938
191: ok 13939
191: ok 13940
191: ok 13941
191: ok 13942
191: ok 13943
191: ok 13944
191: ok 13945
191: ok 13946
191: ok 13947
191: ok 13948
191: ok 13949
191: ok 13950
191: ok 13951
191: ok 13952
191: ok 13953
191: ok 13954
191: ok 13955
191: ok 13956
191: ok 13957
191: ok 13958
191: ok 13959
191: ok 13960
191: ok 13961
191: ok 13962
191: ok 13963
191: ok 13964
191: ok 13965
191: ok 13966
191: ok 13967
191: ok 13968
191: ok 13969
191: ok 13970
191: ok 13971
191: ok 13972
191: ok 13973
191: ok 13974
191: ok 13975
191: ok 13976
191: ok 13977
191: ok 13978
191: ok 13979
191: ok 13980
191: ok 13981
191: ok 13982
191: ok 13983
191: ok 13984
191: ok 13985
191: ok 13986
191: ok 13987
191: ok 13988
191: ok 13989
191: ok 13990
191: ok 13991
191: ok 13992
191: ok 13993
191: ok 13994
191: ok 13995
191: ok 13996
191: ok 13997
191: ok 13998
191: ok 13999
191: ok 14000
191: # math: passed testArithmeticOperators
191: # math: entering testDistancesAnglesOrthogonality
191: ok 14001
191: ok 14002
191: ok 14003
191: ok 14004
191: ok 14005
191: ok 14006
191: ok 14007
191: ok 14008
191: ok 14009
191: ok 14010
191: ok 14011
191: ok 14012
191: ok 14013
191: ok 14014
191: ok 14015
191: ok 14016
191: ok 14017
191: ok 14018
191: ok 14019
191: ok 14020
191: ok 14021
191: ok 14022
191: ok 14023
191: ok 14024
191: ok 14025
191: ok 14026
191: ok 14027
191: ok 14028
191: ok 14029
191: ok 14030
191: ok 14031
191: ok 14032
191: ok 14033
191: ok 14034
191: ok 14035
191: ok 14036
191: ok 14037
191: ok 14038
191: ok 14039
191: ok 14040
191: ok 14041
191: ok 14042
191: ok 14043
191: ok 14044
191: ok 14045
191: ok 14046
191: ok 14047
191: ok 14048
191: ok 14049
191: ok 14050
191: ok 14051
191: ok 14052
191: ok 14053
191: ok 14054
191: ok 14055
191: ok 14056
191: ok 14057
191: ok 14058
191: ok 14059
191: ok 14060
191: ok 14061
191: ok 14062
191: ok 14063
191: ok 14064
191: ok 14065
191: ok 14066
191: ok 14067
191: ok 14068
191: ok 14069
191: ok 14070
191: ok 14071
191: ok 14072
191: ok 14073
191: ok 14074
191: ok 14075
191: ok 14076
191: ok 14077
191: ok 14078
191: ok 14079
191: ok 14080
191: ok 14081
191: ok 14082
191: ok 14083
191: ok 14084
191: ok 14085
191: ok 14086
191: ok 14087
191: ok 14088
191: ok 14089
191: ok 14090
191: ok 14091
191: ok 14092
191: ok 14093
191: ok 14094
191: ok 14095
191: ok 14096
191: ok 14097
191: ok 14098
191: ok 14099
191: ok 14100
191: ok 14101
191: ok 14102
191: ok 14103
191: ok 14104
191: ok 14105
191: ok 14106
191: ok 14107
191: ok 14108
191: ok 14109
191: ok 14110
191: ok 14111
191: ok 14112
191: ok 14113
191: ok 14114
191: ok 14115
191: ok 14116
191: ok 14117
191: ok 14118
191: ok 14119
191: ok 14120
191: ok 14121
191: ok 14122
191: ok 14123
191: ok 14124
191: ok 14125
191: ok 14126
191: ok 14127
191: ok 14128
191: ok 14129
191: ok 14130
191: ok 14131
191: ok 14132
191: ok 14133
191: ok 14134
191: ok 14135
191: ok 14136
191: ok 14137
191: ok 14138
191: ok 14139
191: ok 14140
191: ok 14141
191: ok 14142
191: ok 14143
191: ok 14144
191: ok 14145
191: ok 14146
191: ok 14147
191: ok 14148
191: ok 14149
191: ok 14150
191: ok 14151
191: ok 14152
191: ok 14153
191: ok 14154
191: ok 14155
191: ok 14156
191: ok 14157
191: ok 14158
191: ok 14159
191: ok 14160
191: ok 14161
191: ok 14162
191: ok 14163
191: ok 14164
191: ok 14165
191: ok 14166
191: ok 14167
191: ok 14168
191: ok 14169
191: ok 14170
191: ok 14171
191: ok 14172
191: ok 14173
191: ok 14174
191: ok 14175
191: ok 14176
191: ok 14177
191: ok 14178
191: ok 14179
191: ok 14180
191: ok 14181
191: ok 14182
191: ok 14183
191: ok 14184
191: ok 14185
191: ok 14186
191: ok 14187
191: ok 14188
191: ok 14189
191: ok 14190
191: ok 14191
191: ok 14192
191: ok 14193
191: ok 14194
191: ok 14195
191: ok 14196
191: ok 14197
191: ok 14198
191: ok 14199
191: ok 14200
191: ok 14201
191: ok 14202
191: ok 14203
191: ok 14204
191: ok 14205
191: ok 14206
191: ok 14207
191: ok 14208
191: ok 14209
191: ok 14210
191: ok 14211
191: ok 14212
191: ok 14213
191: ok 14214
191: ok 14215
191: ok 14216
191: ok 14217
191: ok 14218
191: ok 14219
191: ok 14220
191: ok 14221
191: ok 14222
191: ok 14223
191: ok 14224
191: ok 14225
191: ok 14226
191: ok 14227
191: ok 14228
191: ok 14229
191: ok 14230
191: ok 14231
191: ok 14232
191: ok 14233
191: ok 14234
191: ok 14235
191: ok 14236
191: ok 14237
191: ok 14238
191: ok 14239
191: ok 14240
191: ok 14241
191: ok 14242
191: ok 14243
191: ok 14244
191: ok 14245
191: ok 14246
191: ok 14247
191: ok 14248
191: ok 14249
191: ok 14250
191: ok 14251
191: ok 14252
191: ok 14253
191: ok 14254
191: ok 14255
191: ok 14256
191: ok 14257
191: ok 14258
191: ok 14259
191: ok 14260
191: ok 14261
191: ok 14262
191: ok 14263
191: ok 14264
191: ok 14265
191: ok 14266
191: ok 14267
191: ok 14268
191: ok 14269
191: ok 14270
191: ok 14271
191: ok 14272
191: ok 14273
191: ok 14274
191: ok 14275
191: ok 14276
191: ok 14277
191: ok 14278
191: ok 14279
191: ok 14280
191: ok 14281
191: ok 14282
191: ok 14283
191: ok 14284
191: ok 14285
191: ok 14286
191: ok 14287
191: ok 14288
191: ok 14289
191: ok 14290
191: ok 14291
191: ok 14292
191: ok 14293
191: ok 14294
191: ok 14295
191: ok 14296
191: ok 14297
191: ok 14298
191: ok 14299
191: ok 14300
191: ok 14301
191: ok 14302
191: ok 14303
191: ok 14304
191: ok 14305
191: ok 14306
191: ok 14307
191: ok 14308
191: ok 14309
191: ok 14310
191: ok 14311
191: ok 14312
191: ok 14313
191: ok 14314
191: ok 14315
191: ok 14316
191: ok 14317
191: ok 14318
191: ok 14319
191: ok 14320
191: ok 14321
191: ok 14322
191: ok 14323
191: ok 14324
191: ok 14325
191: ok 14326
191: ok 14327
191: ok 14328
191: ok 14329
191: ok 14330
191: ok 14331
191: ok 14332
191: ok 14333
191: ok 14334
191: ok 14335
191: ok 14336
191: ok 14337
191: ok 14338
191: ok 14339
191: ok 14340
191: ok 14341
191: ok 14342
191: ok 14343
191: ok 14344
191: ok 14345
191: ok 14346
191: ok 14347
191: ok 14348
191: ok 14349
191: ok 14350
191: ok 14351
191: ok 14352
191: ok 14353
191: ok 14354
191: ok 14355
191: ok 14356
191: ok 14357
191: ok 14358
191: ok 14359
191: ok 14360
191: ok 14361
191: ok 14362
191: ok 14363
191: ok 14364
191: ok 14365
191: ok 14366
191: ok 14367
191: ok 14368
191: ok 14369
191: ok 14370
191: ok 14371
191: ok 14372
191: ok 14373
191: ok 14374
191: ok 14375
191: ok 14376
191: ok 14377
191: ok 14378
191: ok 14379
191: ok 14380
191: ok 14381
191: ok 14382
191: ok 14383
191: ok 14384
191: ok 14385
191: ok 14386
191: ok 14387
191: ok 14388
191: ok 14389
191: ok 14390
191: ok 14391
191: ok 14392
191: ok 14393
191: ok 14394
191: ok 14395
191: ok 14396
191: ok 14397
191: ok 14398
191: ok 14399
191: ok 14400
191: ok 14401
191: ok 14402
191: ok 14403
191: ok 14404
191: ok 14405
191: ok 14406
191: ok 14407
191: ok 14408
191: ok 14409
191: ok 14410
191: ok 14411
191: ok 14412
191: ok 14413
191: ok 14414
191: ok 14415
191: ok 14416
191: ok 14417
191: ok 14418
191: ok 14419
191: ok 14420
191: ok 14421
191: ok 14422
191: ok 14423
191: ok 14424
191: ok 14425
191: ok 14426
191: ok 14427
191: ok 14428
191: ok 14429
191: ok 14430
191: ok 14431
191: ok 14432
191: ok 14433
191: ok 14434
191: ok 14435
191: ok 14436
191: ok 14437
191: ok 14438
191: ok 14439
191: ok 14440
191: ok 14441
191: ok 14442
191: ok 14443
191: ok 14444
191: ok 14445
191: ok 14446
191: ok 14447
191: ok 14448
191: ok 14449
191: ok 14450
191: ok 14451
191: ok 14452
191: ok 14453
191: ok 14454
191: ok 14455
191: ok 14456
191: ok 14457
191: ok 14458
191: ok 14459
191: ok 14460
191: ok 14461
191: ok 14462
191: ok 14463
191: ok 14464
191: ok 14465
191: ok 14466
191: ok 14467
191: ok 14468
191: ok 14469
191: ok 14470
191: ok 14471
191: ok 14472
191: ok 14473
191: ok 14474
191: ok 14475
191: ok 14476
191: ok 14477
191: ok 14478
191: ok 14479
191: ok 14480
191: ok 14481
191: ok 14482
191: ok 14483
191: ok 14484
191: ok 14485
191: ok 14486
191: ok 14487
191: ok 14488
191: ok 14489
191: ok 14490
191: ok 14491
191: ok 14492
191: ok 14493
191: ok 14494
191: ok 14495
191: ok 14496
191: ok 14497
191: ok 14498
191: ok 14499
191: ok 14500
191: ok 14501
191: ok 14502
191: ok 14503
191: ok 14504
191: ok 14505
191: ok 14506
191: ok 14507
191: ok 14508
191: ok 14509
191: ok 14510
191: ok 14511
191: ok 14512
191: ok 14513
191: ok 14514
191: ok 14515
191: ok 14516
191: ok 14517
191: ok 14518
191: ok 14519
191: ok 14520
191: ok 14521
191: ok 14522
191: ok 14523
191: ok 14524
191: ok 14525
191: ok 14526
191: ok 14527
191: ok 14528
191: ok 14529
191: ok 14530
191: ok 14531
191: ok 14532
191: ok 14533
191: ok 14534
191: ok 14535
191: ok 14536
191: ok 14537
191: ok 14538
191: ok 14539
191: ok 14540
191: ok 14541
191: ok 14542
191: ok 14543
191: ok 14544
191: ok 14545
191: ok 14546
191: ok 14547
191: ok 14548
191: ok 14549
191: ok 14550
191: ok 14551
191: ok 14552
191: ok 14553
191: ok 14554
191: ok 14555
191: ok 14556
191: ok 14557
191: ok 14558
191: ok 14559
191: ok 14560
191: ok 14561
191: ok 14562
191: ok 14563
191: ok 14564
191: ok 14565
191: ok 14566
191: ok 14567
191: ok 14568
191: ok 14569
191: ok 14570
191: ok 14571
191: ok 14572
191: ok 14573
191: ok 14574
191: ok 14575
191: ok 14576
191: ok 14577
191: ok 14578
191: ok 14579
191: ok 14580
191: ok 14581
191: ok 14582
191: ok 14583
191: ok 14584
191: ok 14585
191: ok 14586
191: ok 14587
191: ok 14588
191: ok 14589
191: ok 14590
191: ok 14591
191: ok 14592
191: ok 14593
191: ok 14594
191: ok 14595
191: ok 14596
191: ok 14597
191: ok 14598
191: ok 14599
191: ok 14600
191: ok 14601
191: ok 14602
191: ok 14603
191: ok 14604
191: ok 14605
191: ok 14606
191: ok 14607
191: ok 14608
191: ok 14609
191: ok 14610
191: ok 14611
191: ok 14612
191: ok 14613
191: ok 14614
191: ok 14615
191: ok 14616
191: ok 14617
191: ok 14618
191: ok 14619
191: ok 14620
191: ok 14621
191: ok 14622
191: ok 14623
191: ok 14624
191: ok 14625
191: ok 14626
191: ok 14627
191: ok 14628
191: ok 14629
191: ok 14630
191: ok 14631
191: ok 14632
191: ok 14633
191: ok 14634
191: ok 14635
191: ok 14636
191: ok 14637
191: ok 14638
191: ok 14639
191: ok 14640
191: ok 14641
191: ok 14642
191: ok 14643
191: ok 14644
191: ok 14645
191: ok 14646
191: ok 14647
191: ok 14648
191: ok 14649
191: ok 14650
191: ok 14651
191: ok 14652
191: ok 14653
191: ok 14654
191: ok 14655
191: ok 14656
191: ok 14657
191: ok 14658
191: ok 14659
191: ok 14660
191: ok 14661
191: ok 14662
191: ok 14663
191: ok 14664
191: ok 14665
191: ok 14666
191: ok 14667
191: ok 14668
191: ok 14669
191: ok 14670
191: ok 14671
191: ok 14672
191: ok 14673
191: ok 14674
191: ok 14675
191: ok 14676
191: ok 14677
191: ok 14678
191: ok 14679
191: ok 14680
191: ok 14681
191: ok 14682
191: ok 14683
191: ok 14684
191: ok 14685
191: ok 14686
191: ok 14687
191: ok 14688
191: ok 14689
191: ok 14690
191: ok 14691
191: ok 14692
191: ok 14693
191: ok 14694
191: ok 14695
191: ok 14696
191: ok 14697
191: ok 14698
191: ok 14699
191: ok 14700
191: ok 14701
191: ok 14702
191: ok 14703
191: ok 14704
191: ok 14705
191: ok 14706
191: ok 14707
191: ok 14708
191: ok 14709
191: ok 14710
191: ok 14711
191: ok 14712
191: ok 14713
191: ok 14714
191: ok 14715
191: ok 14716
191: ok 14717
191: ok 14718
191: ok 14719
191: ok 14720
191: ok 14721
191: ok 14722
191: ok 14723
191: ok 14724
191: ok 14725
191: ok 14726
191: ok 14727
191: ok 14728
191: ok 14729
191: ok 14730
191: ok 14731
191: ok 14732
191: ok 14733
191: ok 14734
191: ok 14735
191: ok 14736
191: ok 14737
191: ok 14738
191: ok 14739
191: ok 14740
191: ok 14741
191: ok 14742
191: ok 14743
191: ok 14744
191: ok 14745
191: ok 14746
191: ok 14747
191: ok 14748
191: ok 14749
191: ok 14750
191: ok 14751
191: ok 14752
191: ok 14753
191: ok 14754
191: ok 14755
191: ok 14756
191: ok 14757
191: ok 14758
191: ok 14759
191: ok 14760
191: ok 14761
191: ok 14762
191: ok 14763
191: ok 14764
191: ok 14765
191: ok 14766
191: ok 14767
191: ok 14768
191: ok 14769
191: ok 14770
191: ok 14771
191: ok 14772
191: ok 14773
191: ok 14774
191: ok 14775
191: ok 14776
191: ok 14777
191: ok 14778
191: ok 14779
191: ok 14780
191: ok 14781
191: ok 14782
191: ok 14783
191: ok 14784
191: ok 14785
191: ok 14786
191: ok 14787
191: ok 14788
191: ok 14789
191: ok 14790
191: ok 14791
191: ok 14792
191: ok 14793
191: ok 14794
191: ok 14795
191: ok 14796
191: ok 14797
191: ok 14798
191: ok 14799
191: ok 14800
191: ok 14801
191: ok 14802
191: ok 14803
191: ok 14804
191: ok 14805
191: ok 14806
191: ok 14807
191: ok 14808
191: ok 14809
191: ok 14810
191: ok 14811
191: ok 14812
191: ok 14813
191: ok 14814
191: ok 14815
191: ok 14816
191: ok 14817
191: ok 14818
191: ok 14819
191: ok 14820
191: ok 14821
191: ok 14822
191: ok 14823
191: ok 14824
191: ok 14825
191: ok 14826
191: ok 14827
191: ok 14828
191: ok 14829
191: ok 14830
191: ok 14831
191: ok 14832
191: ok 14833
191: ok 14834
191: ok 14835
191: ok 14836
191: ok 14837
191: ok 14838
191: ok 14839
191: ok 14840
191: ok 14841
191: ok 14842
191: ok 14843
191: ok 14844
191: ok 14845
191: ok 14846
191: ok 14847
191: ok 14848
191: ok 14849
191: ok 14850
191: ok 14851
191: ok 14852
191: ok 14853
191: ok 14854
191: ok 14855
191: ok 14856
191: ok 14857
191: ok 14858
191: ok 14859
191: ok 14860
191: ok 14861
191: ok 14862
191: ok 14863
191: ok 14864
191: ok 14865
191: ok 14866
191: ok 14867
191: ok 14868
191: ok 14869
191: ok 14870
191: ok 14871
191: ok 14872
191: ok 14873
191: ok 14874
191: ok 14875
191: ok 14876
191: ok 14877
191: ok 14878
191: ok 14879
191: ok 14880
191: ok 14881
191: ok 14882
191: ok 14883
191: ok 14884
191: ok 14885
191: ok 14886
191: ok 14887
191: ok 14888
191: ok 14889
191: ok 14890
191: ok 14891
191: ok 14892
191: ok 14893
191: ok 14894
191: ok 14895
191: ok 14896
191: ok 14897
191: ok 14898
191: ok 14899
191: ok 14900
191: ok 14901
191: ok 14902
191: ok 14903
191: ok 14904
191: ok 14905
191: ok 14906
191: ok 14907
191: ok 14908
191: ok 14909
191: ok 14910
191: ok 14911
191: ok 14912
191: ok 14913
191: ok 14914
191: ok 14915
191: ok 14916
191: ok 14917
191: ok 14918
191: ok 14919
191: ok 14920
191: ok 14921
191: ok 14922
191: ok 14923
191: ok 14924
191: ok 14925
191: ok 14926
191: ok 14927
191: ok 14928
191: ok 14929
191: ok 14930
191: ok 14931
191: ok 14932
191: ok 14933
191: ok 14934
191: ok 14935
191: ok 14936
191: ok 14937
191: ok 14938
191: ok 14939
191: ok 14940
191: ok 14941
191: ok 14942
191: ok 14943
191: ok 14944
191: ok 14945
191: ok 14946
191: ok 14947
191: ok 14948
191: ok 14949
191: ok 14950
191: ok 14951
191: ok 14952
191: ok 14953
191: ok 14954
191: ok 14955
191: ok 14956
191: ok 14957
191: ok 14958
191: ok 14959
191: ok 14960
191: ok 14961
191: ok 14962
191: ok 14963
191: ok 14964
191: ok 14965
191: ok 14966
191: ok 14967
191: ok 14968
191: ok 14969
191: ok 14970
191: ok 14971
191: ok 14972
191: ok 14973
191: ok 14974
191: ok 14975
191: ok 14976
191: ok 14977
191: ok 14978
191: ok 14979
191: ok 14980
191: ok 14981
191: ok 14982
191: ok 14983
191: ok 14984
191: ok 14985
191: ok 14986
191: ok 14987
191: ok 14988
191: ok 14989
191: ok 14990
191: ok 14991
191: ok 14992
191: ok 14993
191: ok 14994
191: ok 14995
191: ok 14996
191: ok 14997
191: ok 14998
191: ok 14999
191: ok 15000
191: ok 15001
191: ok 15002
191: ok 15003
191: ok 15004
191: ok 15005
191: ok 15006
191: ok 15007
191: ok 15008
191: ok 15009
191: ok 15010
191: ok 15011
191: ok 15012
191: ok 15013
191: ok 15014
191: ok 15015
191: ok 15016
191: ok 15017
191: ok 15018
191: ok 15019
191: ok 15020
191: ok 15021
191: ok 15022
191: ok 15023
191: ok 15024
191: ok 15025
191: ok 15026
191: ok 15027
191: ok 15028
191: ok 15029
191: ok 15030
191: ok 15031
191: ok 15032
191: ok 15033
191: ok 15034
191: ok 15035
191: ok 15036
191: ok 15037
191: ok 15038
191: ok 15039
191: ok 15040
191: ok 15041
191: ok 15042
191: ok 15043
191: ok 15044
191: ok 15045
191: ok 15046
191: ok 15047
191: ok 15048
191: ok 15049
191: ok 15050
191: ok 15051
191: ok 15052
191: ok 15053
191: ok 15054
191: ok 15055
191: ok 15056
191: ok 15057
191: ok 15058
191: ok 15059
191: ok 15060
191: ok 15061
191: ok 15062
191: ok 15063
191: ok 15064
191: ok 15065
191: ok 15066
191: ok 15067
191: ok 15068
191: ok 15069
191: ok 15070
191: ok 15071
191: ok 15072
191: ok 15073
191: ok 15074
191: ok 15075
191: ok 15076
191: ok 15077
191: ok 15078
191: ok 15079
191: ok 15080
191: ok 15081
191: ok 15082
191: ok 15083
191: ok 15084
191: ok 15085
191: ok 15086
191: ok 15087
191: ok 15088
191: ok 15089
191: ok 15090
191: ok 15091
191: ok 15092
191: ok 15093
191: ok 15094
191: ok 15095
191: ok 15096
191: ok 15097
191: ok 15098
191: ok 15099
191: ok 15100
191: ok 15101
191: ok 15102
191: ok 15103
191: ok 15104
191: ok 15105
191: ok 15106
191: ok 15107
191: ok 15108
191: ok 15109
191: ok 15110
191: ok 15111
191: ok 15112
191: ok 15113
191: ok 15114
191: ok 15115
191: ok 15116
191: ok 15117
191: ok 15118
191: ok 15119
191: ok 15120
191: ok 15121
191: ok 15122
191: ok 15123
191: ok 15124
191: ok 15125
191: ok 15126
191: ok 15127
191: ok 15128
191: ok 15129
191: ok 15130
191: ok 15131
191: ok 15132
191: ok 15133
191: ok 15134
191: ok 15135
191: ok 15136
191: ok 15137
191: ok 15138
191: ok 15139
191: ok 15140
191: ok 15141
191: ok 15142
191: ok 15143
191: ok 15144
191: ok 15145
191: ok 15146
191: ok 15147
191: ok 15148
191: ok 15149
191: ok 15150
191: ok 15151
191: ok 15152
191: ok 15153
191: ok 15154
191: ok 15155
191: ok 15156
191: ok 15157
191: ok 15158
191: ok 15159
191: ok 15160
191: ok 15161
191: ok 15162
191: ok 15163
191: ok 15164
191: ok 15165
191: ok 15166
191: ok 15167
191: ok 15168
191: ok 15169
191: ok 15170
191: ok 15171
191: ok 15172
191: ok 15173
191: ok 15174
191: ok 15175
191: ok 15176
191: ok 15177
191: ok 15178
191: ok 15179
191: ok 15180
191: ok 15181
191: ok 15182
191: ok 15183
191: ok 15184
191: ok 15185
191: ok 15186
191: ok 15187
191: ok 15188
191: ok 15189
191: ok 15190
191: ok 15191
191: ok 15192
191: ok 15193
191: ok 15194
191: ok 15195
191: ok 15196
191: ok 15197
191: ok 15198
191: ok 15199
191: ok 15200
191: ok 15201
191: ok 15202
191: ok 15203
191: ok 15204
191: ok 15205
191: ok 15206
191: ok 15207
191: ok 15208
191: ok 15209
191: ok 15210
191: ok 15211
191: ok 15212
191: ok 15213
191: ok 15214
191: ok 15215
191: ok 15216
191: ok 15217
191: ok 15218
191: ok 15219
191: ok 15220
191: ok 15221
191: ok 15222
191: ok 15223
191: ok 15224
191: ok 15225
191: ok 15226
191: ok 15227
191: ok 15228
191: ok 15229
191: ok 15230
191: ok 15231
191: ok 15232
191: ok 15233
191: ok 15234
191: ok 15235
191: ok 15236
191: ok 15237
191: ok 15238
191: ok 15239
191: ok 15240
191: ok 15241
191: ok 15242
191: ok 15243
191: ok 15244
191: ok 15245
191: ok 15246
191: ok 15247
191: ok 15248
191: ok 15249
191: ok 15250
191: ok 15251
191: ok 15252
191: ok 15253
191: ok 15254
191: ok 15255
191: ok 15256
191: ok 15257
191: ok 15258
191: ok 15259
191: ok 15260
191: ok 15261
191: ok 15262
191: ok 15263
191: ok 15264
191: ok 15265
191: ok 15266
191: ok 15267
191: ok 15268
191: ok 15269
191: ok 15270
191: ok 15271
191: ok 15272
191: ok 15273
191: ok 15274
191: ok 15275
191: ok 15276
191: ok 15277
191: ok 15278
191: ok 15279
191: ok 15280
191: ok 15281
191: ok 15282
191: ok 15283
191: ok 15284
191: ok 15285
191: ok 15286
191: ok 15287
191: ok 15288
191: ok 15289
191: ok 15290
191: ok 15291
191: ok 15292
191: ok 15293
191: ok 15294
191: ok 15295
191: ok 15296
191: ok 15297
191: ok 15298
191: ok 15299
191: ok 15300
191: ok 15301
191: ok 15302
191: ok 15303
191: ok 15304
191: ok 15305
191: ok 15306
191: ok 15307
191: ok 15308
191: ok 15309
191: ok 15310
191: ok 15311
191: ok 15312
191: ok 15313
191: ok 15314
191: ok 15315
191: ok 15316
191: ok 15317
191: ok 15318
191: ok 15319
191: ok 15320
191: ok 15321
191: ok 15322
191: ok 15323
191: ok 15324
191: ok 15325
191: ok 15326
191: ok 15327
191: ok 15328
191: ok 15329
191: ok 15330
191: ok 15331
191: ok 15332
191: ok 15333
191: ok 15334
191: ok 15335
191: ok 15336
191: ok 15337
191: ok 15338
191: ok 15339
191: ok 15340
191: ok 15341
191: ok 15342
191: ok 15343
191: ok 15344
191: ok 15345
191: ok 15346
191: ok 15347
191: ok 15348
191: ok 15349
191: ok 15350
191: ok 15351
191: ok 15352
191: ok 15353
191: ok 15354
191: ok 15355
191: ok 15356
191: ok 15357
191: ok 15358
191: ok 15359
191: ok 15360
191: ok 15361
191: ok 15362
191: ok 15363
191: ok 15364
191: ok 15365
191: ok 15366
191: ok 15367
191: ok 15368
191: ok 15369
191: ok 15370
191: ok 15371
191: ok 15372
191: ok 15373
191: ok 15374
191: ok 15375
191: ok 15376
191: ok 15377
191: ok 15378
191: ok 15379
191: ok 15380
191: ok 15381
191: ok 15382
191: ok 15383
191: ok 15384
191: ok 15385
191: ok 15386
191: ok 15387
191: ok 15388
191: ok 15389
191: ok 15390
191: ok 15391
191: ok 15392
191: ok 15393
191: ok 15394
191: ok 15395
191: ok 15396
191: ok 15397
191: ok 15398
191: ok 15399
191: ok 15400
191: ok 15401
191: ok 15402
191: ok 15403
191: ok 15404
191: ok 15405
191: ok 15406
191: ok 15407
191: ok 15408
191: ok 15409
191: ok 15410
191: ok 15411
191: ok 15412
191: ok 15413
191: ok 15414
191: ok 15415
191: ok 15416
191: ok 15417
191: ok 15418
191: ok 15419
191: ok 15420
191: ok 15421
191: ok 15422
191: ok 15423
191: ok 15424
191: ok 15425
191: ok 15426
191: ok 15427
191: ok 15428
191: ok 15429
191: ok 15430
191: ok 15431
191: ok 15432
191: ok 15433
191: ok 15434
191: ok 15435
191: ok 15436
191: ok 15437
191: ok 15438
191: ok 15439
191: ok 15440
191: ok 15441
191: ok 15442
191: ok 15443
191: ok 15444
191: ok 15445
191: ok 15446
191: ok 15447
191: ok 15448
191: ok 15449
191: ok 15450
191: ok 15451
191: ok 15452
191: ok 15453
191: ok 15454
191: ok 15455
191: ok 15456
191: ok 15457
191: ok 15458
191: ok 15459
191: ok 15460
191: ok 15461
191: ok 15462
191: ok 15463
191: ok 15464
191: ok 15465
191: ok 15466
191: ok 15467
191: ok 15468
191: ok 15469
191: ok 15470
191: ok 15471
191: ok 15472
191: ok 15473
191: ok 15474
191: ok 15475
191: ok 15476
191: ok 15477
191: ok 15478
191: ok 15479
191: ok 15480
191: ok 15481
191: ok 15482
191: ok 15483
191: ok 15484
191: ok 15485
191: ok 15486
191: ok 15487
191: ok 15488
191: ok 15489
191: ok 15490
191: ok 15491
191: ok 15492
191: ok 15493
191: ok 15494
191: ok 15495
191: ok 15496
191: ok 15497
191: ok 15498
191: ok 15499
191: ok 15500
191: ok 15501
191: ok 15502
191: ok 15503
191: ok 15504
191: ok 15505
191: ok 15506
191: ok 15507
191: ok 15508
191: ok 15509
191: ok 15510
191: ok 15511
191: ok 15512
191: ok 15513
191: ok 15514
191: ok 15515
191: ok 15516
191: ok 15517
191: ok 15518
191: ok 15519
191: ok 15520
191: ok 15521
191: ok 15522
191: ok 15523
191: ok 15524
191: ok 15525
191: ok 15526
191: ok 15527
191: ok 15528
191: ok 15529
191: ok 15530
191: ok 15531
191: ok 15532
191: ok 15533
191: ok 15534
191: ok 15535
191: ok 15536
191: ok 15537
191: ok 15538
191: ok 15539
191: ok 15540
191: ok 15541
191: ok 15542
191: ok 15543
191: ok 15544
191: ok 15545
191: ok 15546
191: ok 15547
191: ok 15548
191: ok 15549
191: ok 15550
191: ok 15551
191: ok 15552
191: ok 15553
191: ok 15554
191: ok 15555
191: ok 15556
191: ok 15557
191: ok 15558
191: ok 15559
191: ok 15560
191: ok 15561
191: ok 15562
191: ok 15563
191: ok 15564
191: ok 15565
191: ok 15566
191: ok 15567
191: ok 15568
191: ok 15569
191: ok 15570
191: ok 15571
191: ok 15572
191: ok 15573
191: ok 15574
191: ok 15575
191: ok 15576
191: ok 15577
191: ok 15578
191: ok 15579
191: ok 15580
191: ok 15581
191: ok 15582
191: ok 15583
191: ok 15584
191: ok 15585
191: ok 15586
191: ok 15587
191: ok 15588
191: ok 15589
191: ok 15590
191: ok 15591
191: ok 15592
191: ok 15593
191: ok 15594
191: ok 15595
191: ok 15596
191: ok 15597
191: ok 15598
191: ok 15599
191: ok 15600
191: ok 15601
191: ok 15602
191: ok 15603
191: ok 15604
191: ok 15605
191: ok 15606
191: ok 15607
191: ok 15608
191: ok 15609
191: ok 15610
191: ok 15611
191: ok 15612
191: ok 15613
191: ok 15614
191: ok 15615
191: ok 15616
191: ok 15617
191: ok 15618
191: ok 15619
191: ok 15620
191: ok 15621
191: ok 15622
191: ok 15623
191: ok 15624
191: ok 15625
191: ok 15626
191: ok 15627
191: ok 15628
191: ok 15629
191: ok 15630
191: ok 15631
191: ok 15632
191: ok 15633
191: ok 15634
191: ok 15635
191: ok 15636
191: ok 15637
191: ok 15638
191: ok 15639
191: ok 15640
191: ok 15641
191: ok 15642
191: ok 15643
191: ok 15644
191: ok 15645
191: ok 15646
191: ok 15647
191: ok 15648
191: ok 15649
191: ok 15650
191: ok 15651
191: ok 15652
191: ok 15653
191: ok 15654
191: ok 15655
191: ok 15656
191: ok 15657
191: ok 15658
191: ok 15659
191: ok 15660
191: ok 15661
191: ok 15662
191: ok 15663
191: ok 15664
191: ok 15665
191: ok 15666
191: ok 15667
191: ok 15668
191: ok 15669
191: ok 15670
191: ok 15671
191: ok 15672
191: ok 15673
191: ok 15674
191: ok 15675
191: ok 15676
191: ok 15677
191: ok 15678
191: ok 15679
191: ok 15680
191: ok 15681
191: ok 15682
191: ok 15683
191: ok 15684
191: ok 15685
191: ok 15686
191: ok 15687
191: ok 15688
191: ok 15689
191: ok 15690
191: ok 15691
191: ok 15692
191: ok 15693
191: ok 15694
191: ok 15695
191: ok 15696
191: ok 15697
191: ok 15698
191: ok 15699
191: ok 15700
191: ok 15701
191: ok 15702
191: ok 15703
191: ok 15704
191: ok 15705
191: ok 15706
191: ok 15707
191: ok 15708
191: ok 15709
191: ok 15710
191: ok 15711
191: ok 15712
191: ok 15713
191: ok 15714
191: ok 15715
191: ok 15716
191: ok 15717
191: ok 15718
191: ok 15719
191: ok 15720
191: ok 15721
191: ok 15722
191: ok 15723
191: ok 15724
191: ok 15725
191: ok 15726
191: ok 15727
191: ok 15728
191: ok 15729
191: ok 15730
191: ok 15731
191: ok 15732
191: ok 15733
191: ok 15734
191: ok 15735
191: ok 15736
191: ok 15737
191: ok 15738
191: ok 15739
191: ok 15740
191: ok 15741
191: ok 15742
191: ok 15743
191: ok 15744
191: ok 15745
191: ok 15746
191: ok 15747
191: ok 15748
191: ok 15749
191: ok 15750
191: ok 15751
191: ok 15752
191: ok 15753
191: ok 15754
191: ok 15755
191: ok 15756
191: ok 15757
191: ok 15758
191: ok 15759
191: ok 15760
191: ok 15761
191: ok 15762
191: ok 15763
191: ok 15764
191: ok 15765
191: ok 15766
191: ok 15767
191: ok 15768
191: ok 15769
191: ok 15770
191: ok 15771
191: ok 15772
191: ok 15773
191: ok 15774
191: ok 15775
191: ok 15776
191: ok 15777
191: ok 15778
191: ok 15779
191: ok 15780
191: ok 15781
191: ok 15782
191: ok 15783
191: ok 15784
191: ok 15785
191: ok 15786
191: ok 15787
191: ok 15788
191: ok 15789
191: ok 15790
191: ok 15791
191: ok 15792
191: ok 15793
191: ok 15794
191: ok 15795
191: ok 15796
191: ok 15797
191: ok 15798
191: ok 15799
191: ok 15800
191: ok 15801
191: ok 15802
191: ok 15803
191: ok 15804
191: ok 15805
191: ok 15806
191: ok 15807
191: ok 15808
191: ok 15809
191: ok 15810
191: ok 15811
191: ok 15812
191: ok 15813
191: ok 15814
191: ok 15815
191: ok 15816
191: ok 15817
191: ok 15818
191: ok 15819
191: ok 15820
191: ok 15821
191: ok 15822
191: ok 15823
191: ok 15824
191: ok 15825
191: ok 15826
191: ok 15827
191: ok 15828
191: ok 15829
191: ok 15830
191: ok 15831
191: ok 15832
191: ok 15833
191: ok 15834
191: ok 15835
191: ok 15836
191: ok 15837
191: ok 15838
191: ok 15839
191: ok 15840
191: ok 15841
191: ok 15842
191: ok 15843
191: ok 15844
191: ok 15845
191: ok 15846
191: ok 15847
191: ok 15848
191: ok 15849
191: ok 15850
191: ok 15851
191: ok 15852
191: ok 15853
191: ok 15854
191: ok 15855
191: ok 15856
191: ok 15857
191: ok 15858
191: ok 15859
191: ok 15860
191: ok 15861
191: ok 15862
191: ok 15863
191: ok 15864
191: ok 15865
191: ok 15866
191: ok 15867
191: ok 15868
191: ok 15869
191: ok 15870
191: ok 15871
191: ok 15872
191: ok 15873
191: ok 15874
191: ok 15875
191: ok 15876
191: ok 15877
191: ok 15878
191: ok 15879
191: ok 15880
191: ok 15881
191: ok 15882
191: ok 15883
191: ok 15884
191: ok 15885
191: ok 15886
191: ok 15887
191: ok 15888
191: ok 15889
191: ok 15890
191: ok 15891
191: ok 15892
191: ok 15893
191: ok 15894
191: ok 15895
191: ok 15896
191: ok 15897
191: ok 15898
191: ok 15899
191: ok 15900
191: ok 15901
191: ok 15902
191: ok 15903
191: ok 15904
191: ok 15905
191: ok 15906
191: ok 15907
191: ok 15908
191: ok 15909
191: ok 15910
191: ok 15911
191: ok 15912
191: ok 15913
191: ok 15914
191: ok 15915
191: ok 15916
191: ok 15917
191: ok 15918
191: ok 15919
191: ok 15920
191: ok 15921
191: ok 15922
191: ok 15923
191: ok 15924
191: ok 15925
191: ok 15926
191: ok 15927
191: ok 15928
191: ok 15929
191: ok 15930
191: ok 15931
191: ok 15932
191: ok 15933
191: ok 15934
191: ok 15935
191: ok 15936
191: ok 15937
191: ok 15938
191: ok 15939
191: ok 15940
191: ok 15941
191: ok 15942
191: ok 15943
191: ok 15944
191: ok 15945
191: ok 15946
191: ok 15947
191: ok 15948
191: ok 15949
191: ok 15950
191: ok 15951
191: ok 15952
191: ok 15953
191: ok 15954
191: ok 15955
191: ok 15956
191: ok 15957
191: ok 15958
191: ok 15959
191: ok 15960
191: ok 15961
191: ok 15962
191: ok 15963
191: ok 15964
191: ok 15965
191: ok 15966
191: ok 15967
191: ok 15968
191: ok 15969
191: ok 15970
191: ok 15971
191: ok 15972
191: ok 15973
191: ok 15974
191: ok 15975
191: ok 15976
191: ok 15977
191: ok 15978
191: ok 15979
191: ok 15980
191: ok 15981
191: ok 15982
191: ok 15983
191: ok 15984
191: ok 15985
191: ok 15986
191: ok 15987
191: ok 15988
191: ok 15989
191: ok 15990
191: ok 15991
191: ok 15992
191: ok 15993
191: ok 15994
191: ok 15995
191: ok 15996
191: ok 15997
191: ok 15998
191: ok 15999
191: ok 16000
191: ok 16001
191: ok 16002
191: ok 16003
191: ok 16004
191: ok 16005
191: ok 16006
191: ok 16007
191: ok 16008
191: ok 16009
191: ok 16010
191: ok 16011
191: ok 16012
191: ok 16013
191: ok 16014
191: ok 16015
191: ok 16016
191: ok 16017
191: ok 16018
191: ok 16019
191: ok 16020
191: ok 16021
191: ok 16022
191: ok 16023
191: ok 16024
191: ok 16025
191: ok 16026
191: ok 16027
191: ok 16028
191: ok 16029
191: ok 16030
191: ok 16031
191: ok 16032
191: ok 16033
191: ok 16034
191: ok 16035
191: ok 16036
191: ok 16037
191: ok 16038
191: ok 16039
191: ok 16040
191: ok 16041
191: ok 16042
191: ok 16043
191: ok 16044
191: ok 16045
191: ok 16046
191: ok 16047
191: ok 16048
191: ok 16049
191: ok 16050
191: ok 16051
191: ok 16052
191: ok 16053
191: ok 16054
191: ok 16055
191: ok 16056
191: ok 16057
191: ok 16058
191: ok 16059
191: ok 16060
191: ok 16061
191: ok 16062
191: ok 16063
191: ok 16064
191: ok 16065
191: ok 16066
191: ok 16067
191: ok 16068
191: ok 16069
191: ok 16070
191: ok 16071
191: ok 16072
191: ok 16073
191: ok 16074
191: ok 16075
191: ok 16076
191: ok 16077
191: ok 16078
191: ok 16079
191: ok 16080
191: ok 16081
191: ok 16082
191: ok 16083
191: ok 16084
191: ok 16085
191: ok 16086
191: ok 16087
191: ok 16088
191: ok 16089
191: ok 16090
191: ok 16091
191: ok 16092
191: ok 16093
191: ok 16094
191: ok 16095
191: ok 16096
191: ok 16097
191: ok 16098
191: ok 16099
191: ok 16100
191: ok 16101
191: ok 16102
191: ok 16103
191: ok 16104
191: ok 16105
191: ok 16106
191: ok 16107
191: ok 16108
191: ok 16109
191: ok 16110
191: ok 16111
191: ok 16112
191: ok 16113
191: ok 16114
191: ok 16115
191: ok 16116
191: ok 16117
191: ok 16118
191: ok 16119
191: ok 16120
191: ok 16121
191: ok 16122
191: ok 16123
191: ok 16124
191: ok 16125
191: ok 16126
191: ok 16127
191: ok 16128
191: ok 16129
191: ok 16130
191: ok 16131
191: ok 16132
191: ok 16133
191: ok 16134
191: ok 16135
191: ok 16136
191: ok 16137
191: ok 16138
191: ok 16139
191: ok 16140
191: ok 16141
191: ok 16142
191: ok 16143
191: ok 16144
191: ok 16145
191: ok 16146
191: ok 16147
191: ok 16148
191: ok 16149
191: ok 16150
191: ok 16151
191: ok 16152
191: ok 16153
191: ok 16154
191: ok 16155
191: ok 16156
191: ok 16157
191: ok 16158
191: ok 16159
191: ok 16160
191: ok 16161
191: ok 16162
191: ok 16163
191: ok 16164
191: ok 16165
191: ok 16166
191: ok 16167
191: ok 16168
191: ok 16169
191: ok 16170
191: ok 16171
191: ok 16172
191: ok 16173
191: ok 16174
191: ok 16175
191: ok 16176
191: ok 16177
191: ok 16178
191: ok 16179
191: ok 16180
191: ok 16181
191: ok 16182
191: ok 16183
191: ok 16184
191: ok 16185
191: ok 16186
191: ok 16187
191: ok 16188
191: ok 16189
191: ok 16190
191: ok 16191
191: ok 16192
191: ok 16193
191: ok 16194
191: ok 16195
191: ok 16196
191: ok 16197
191: ok 16198
191: ok 16199
191: ok 16200
191: ok 16201
191: ok 16202
191: ok 16203
191: ok 16204
191: ok 16205
191: ok 16206
191: ok 16207
191: ok 16208
191: ok 16209
191: ok 16210
191: ok 16211
191: ok 16212
191: ok 16213
191: ok 16214
191: ok 16215
191: ok 16216
191: ok 16217
191: ok 16218
191: ok 16219
191: ok 16220
191: ok 16221
191: ok 16222
191: ok 16223
191: ok 16224
191: ok 16225
191: ok 16226
191: ok 16227
191: ok 16228
191: ok 16229
191: ok 16230
191: ok 16231
191: ok 16232
191: ok 16233
191: ok 16234
191: ok 16235
191: ok 16236
191: ok 16237
191: ok 16238
191: ok 16239
191: ok 16240
191: ok 16241
191: ok 16242
191: ok 16243
191: ok 16244
191: ok 16245
191: ok 16246
191: ok 16247
191: ok 16248
191: ok 16249
191: ok 16250
191: ok 16251
191: ok 16252
191: ok 16253
191: ok 16254
191: ok 16255
191: ok 16256
191: ok 16257
191: ok 16258
191: ok 16259
191: ok 16260
191: ok 16261
191: ok 16262
191: ok 16263
191: ok 16264
191: ok 16265
191: ok 16266
191: ok 16267
191: ok 16268
191: ok 16269
191: ok 16270
191: ok 16271
191: ok 16272
191: ok 16273
191: ok 16274
191: ok 16275
191: ok 16276
191: ok 16277
191: ok 16278
191: ok 16279
191: ok 16280
191: ok 16281
191: ok 16282
191: ok 16283
191: ok 16284
191: ok 16285
191: ok 16286
191: ok 16287
191: ok 16288
191: ok 16289
191: ok 16290
191: ok 16291
191: ok 16292
191: ok 16293
191: ok 16294
191: ok 16295
191: ok 16296
191: ok 16297
191: ok 16298
191: ok 16299
191: ok 16300
191: ok 16301
191: ok 16302
191: ok 16303
191: ok 16304
191: ok 16305
191: ok 16306
191: ok 16307
191: ok 16308
191: ok 16309
191: ok 16310
191: ok 16311
191: ok 16312
191: ok 16313
191: ok 16314
191: ok 16315
191: ok 16316
191: ok 16317
191: ok 16318
191: ok 16319
191: ok 16320
191: ok 16321
191: ok 16322
191: ok 16323
191: ok 16324
191: ok 16325
191: ok 16326
191: ok 16327
191: ok 16328
191: ok 16329
191: ok 16330
191: ok 16331
191: ok 16332
191: ok 16333
191: ok 16334
191: ok 16335
191: ok 16336
191: ok 16337
191: ok 16338
191: ok 16339
191: ok 16340
191: ok 16341
191: ok 16342
191: ok 16343
191: ok 16344
191: ok 16345
191: ok 16346
191: ok 16347
191: ok 16348
191: ok 16349
191: ok 16350
191: ok 16351
191: ok 16352
191: ok 16353
191: ok 16354
191: ok 16355
191: ok 16356
191: ok 16357
191: ok 16358
191: ok 16359
191: ok 16360
191: ok 16361
191: ok 16362
191: ok 16363
191: ok 16364
191: ok 16365
191: ok 16366
191: ok 16367
191: ok 16368
191: ok 16369
191: ok 16370
191: ok 16371
191: ok 16372
191: ok 16373
191: ok 16374
191: ok 16375
191: ok 16376
191: ok 16377
191: ok 16378
191: ok 16379
191: ok 16380
191: ok 16381
191: ok 16382
191: ok 16383
191: ok 16384
191: ok 16385
191: ok 16386
191: ok 16387
191: ok 16388
191: ok 16389
191: ok 16390
191: ok 16391
191: ok 16392
191: ok 16393
191: ok 16394
191: ok 16395
191: ok 16396
191: ok 16397
191: ok 16398
191: ok 16399
191: ok 16400
191: ok 16401
191: ok 16402
191: ok 16403
191: ok 16404
191: ok 16405
191: ok 16406
191: ok 16407
191: ok 16408
191: ok 16409
191: ok 16410
191: ok 16411
191: ok 16412
191: ok 16413
191: ok 16414
191: ok 16415
191: ok 16416
191: ok 16417
191: ok 16418
191: ok 16419
191: ok 16420
191: ok 16421
191: ok 16422
191: ok 16423
191: ok 16424
191: ok 16425
191: ok 16426
191: ok 16427
191: ok 16428
191: ok 16429
191: ok 16430
191: ok 16431
191: ok 16432
191: ok 16433
191: ok 16434
191: ok 16435
191: ok 16436
191: ok 16437
191: ok 16438
191: ok 16439
191: ok 16440
191: ok 16441
191: ok 16442
191: ok 16443
191: ok 16444
191: ok 16445
191: ok 16446
191: ok 16447
191: ok 16448
191: ok 16449
191: ok 16450
191: ok 16451
191: ok 16452
191: ok 16453
191: ok 16454
191: ok 16455
191: ok 16456
191: ok 16457
191: ok 16458
191: ok 16459
191: ok 16460
191: ok 16461
191: ok 16462
191: ok 16463
191: ok 16464
191: ok 16465
191: ok 16466
191: ok 16467
191: ok 16468
191: ok 16469
191: ok 16470
191: ok 16471
191: ok 16472
191: ok 16473
191: ok 16474
191: ok 16475
191: ok 16476
191: ok 16477
191: ok 16478
191: ok 16479
191: ok 16480
191: ok 16481
191: ok 16482
191: ok 16483
191: ok 16484
191: ok 16485
191: ok 16486
191: ok 16487
191: ok 16488
191: ok 16489
191: ok 16490
191: ok 16491
191: ok 16492
191: ok 16493
191: ok 16494
191: ok 16495
191: ok 16496
191: ok 16497
191: ok 16498
191: ok 16499
191: ok 16500
191: ok 16501
191: ok 16502
191: ok 16503
191: ok 16504
191: ok 16505
191: ok 16506
191: ok 16507
191: ok 16508
191: ok 16509
191: ok 16510
191: ok 16511
191: ok 16512
191: ok 16513
191: ok 16514
191: ok 16515
191: ok 16516
191: ok 16517
191: ok 16518
191: ok 16519
191: ok 16520
191: ok 16521
191: ok 16522
191: ok 16523
191: ok 16524
191: ok 16525
191: ok 16526
191: ok 16527
191: ok 16528
191: ok 16529
191: ok 16530
191: ok 16531
191: ok 16532
191: ok 16533
191: ok 16534
191: ok 16535
191: ok 16536
191: ok 16537
191: ok 16538
191: ok 16539
191: ok 16540
191: ok 16541
191: ok 16542
191: ok 16543
191: ok 16544
191: ok 16545
191: ok 16546
191: ok 16547
191: ok 16548
191: ok 16549
191: ok 16550
191: ok 16551
191: ok 16552
191: ok 16553
191: ok 16554
191: ok 16555
191: ok 16556
191: ok 16557
191: ok 16558
191: ok 16559
191: ok 16560
191: ok 16561
191: ok 16562
191: ok 16563
191: ok 16564
191: ok 16565
191: ok 16566
191: ok 16567
191: ok 16568
191: ok 16569
191: ok 16570
191: ok 16571
191: ok 16572
191: ok 16573
191: ok 16574
191: ok 16575
191: ok 16576
191: ok 16577
191: ok 16578
191: ok 16579
191: ok 16580
191: ok 16581
191: ok 16582
191: ok 16583
191: ok 16584
191: ok 16585
191: ok 16586
191: ok 16587
191: ok 16588
191: ok 16589
191: ok 16590
191: ok 16591
191: ok 16592
191: ok 16593
191: ok 16594
191: ok 16595
191: ok 16596
191: ok 16597
191: ok 16598
191: ok 16599
191: ok 16600
191: ok 16601
191: ok 16602
191: ok 16603
191: ok 16604
191: ok 16605
191: ok 16606
191: ok 16607
191: ok 16608
191: ok 16609
191: ok 16610
191: ok 16611
191: ok 16612
191: ok 16613
191: ok 16614
191: ok 16615
191: ok 16616
191: ok 16617
191: ok 16618
191: ok 16619
191: ok 16620
191: ok 16621
191: ok 16622
191: ok 16623
191: ok 16624
191: ok 16625
191: ok 16626
191: ok 16627
191: ok 16628
191: ok 16629
191: ok 16630
191: ok 16631
191: ok 16632
191: ok 16633
191: ok 16634
191: ok 16635
191: ok 16636
191: ok 16637
191: ok 16638
191: ok 16639
191: ok 16640
191: ok 16641
191: ok 16642
191: ok 16643
191: ok 16644
191: ok 16645
191: ok 16646
191: ok 16647
191: ok 16648
191: ok 16649
191: ok 16650
191: ok 16651
191: ok 16652
191: ok 16653
191: ok 16654
191: ok 16655
191: ok 16656
191: ok 16657
191: ok 16658
191: ok 16659
191: ok 16660
191: ok 16661
191: ok 16662
191: ok 16663
191: ok 16664
191: ok 16665
191: ok 16666
191: ok 16667
191: ok 16668
191: ok 16669
191: ok 16670
191: ok 16671
191: ok 16672
191: ok 16673
191: ok 16674
191: ok 16675
191: ok 16676
191: ok 16677
191: ok 16678
191: ok 16679
191: ok 16680
191: ok 16681
191: ok 16682
191: ok 16683
191: ok 16684
191: ok 16685
191: ok 16686
191: ok 16687
191: ok 16688
191: ok 16689
191: ok 16690
191: ok 16691
191: ok 16692
191: ok 16693
191: ok 16694
191: ok 16695
191: ok 16696
191: ok 16697
191: ok 16698
191: ok 16699
191: ok 16700
191: ok 16701
191: ok 16702
191: ok 16703
191: ok 16704
191: ok 16705
191: ok 16706
191: ok 16707
191: ok 16708
191: ok 16709
191: ok 16710
191: ok 16711
191: ok 16712
191: ok 16713
191: ok 16714
191: ok 16715
191: ok 16716
191: ok 16717
191: ok 16718
191: ok 16719
191: ok 16720
191: ok 16721
191: ok 16722
191: ok 16723
191: ok 16724
191: ok 16725
191: ok 16726
191: ok 16727
191: ok 16728
191: ok 16729
191: ok 16730
191: ok 16731
191: ok 16732
191: ok 16733
191: ok 16734
191: ok 16735
191: ok 16736
191: ok 16737
191: ok 16738
191: ok 16739
191: ok 16740
191: ok 16741
191: ok 16742
191: ok 16743
191: ok 16744
191: ok 16745
191: ok 16746
191: ok 16747
191: ok 16748
191: ok 16749
191: ok 16750
191: ok 16751
191: ok 16752
191: ok 16753
191: ok 16754
191: ok 16755
191: ok 16756
191: ok 16757
191: ok 16758
191: ok 16759
191: ok 16760
191: ok 16761
191: ok 16762
191: ok 16763
191: ok 16764
191: ok 16765
191: ok 16766
191: ok 16767
191: ok 16768
191: ok 16769
191: ok 16770
191: ok 16771
191: ok 16772
191: ok 16773
191: ok 16774
191: ok 16775
191: ok 16776
191: ok 16777
191: ok 16778
191: ok 16779
191: ok 16780
191: ok 16781
191: ok 16782
191: ok 16783
191: ok 16784
191: ok 16785
191: ok 16786
191: ok 16787
191: ok 16788
191: ok 16789
191: ok 16790
191: ok 16791
191: ok 16792
191: ok 16793
191: ok 16794
191: ok 16795
191: ok 16796
191: ok 16797
191: ok 16798
191: ok 16799
191: ok 16800
191: ok 16801
191: ok 16802
191: ok 16803
191: ok 16804
191: ok 16805
191: ok 16806
191: ok 16807
191: ok 16808
191: ok 16809
191: ok 16810
191: ok 16811
191: ok 16812
191: ok 16813
191: ok 16814
191: ok 16815
191: ok 16816
191: ok 16817
191: ok 16818
191: ok 16819
191: ok 16820
191: ok 16821
191: ok 16822
191: ok 16823
191: ok 16824
191: ok 16825
191: ok 16826
191: ok 16827
191: ok 16828
191: ok 16829
191: ok 16830
191: ok 16831
191: ok 16832
191: ok 16833
191: ok 16834
191: ok 16835
191: ok 16836
191: ok 16837
191: ok 16838
191: ok 16839
191: ok 16840
191: ok 16841
191: ok 16842
191: ok 16843
191: ok 16844
191: ok 16845
191: ok 16846
191: ok 16847
191: ok 16848
191: ok 16849
191: ok 16850
191: ok 16851
191: ok 16852
191: ok 16853
191: ok 16854
191: ok 16855
191: ok 16856
191: ok 16857
191: ok 16858
191: ok 16859
191: ok 16860
191: ok 16861
191: ok 16862
191: ok 16863
191: ok 16864
191: ok 16865
191: ok 16866
191: ok 16867
191: ok 16868
191: ok 16869
191: ok 16870
191: ok 16871
191: ok 16872
191: ok 16873
191: ok 16874
191: ok 16875
191: ok 16876
191: ok 16877
191: ok 16878
191: ok 16879
191: ok 16880
191: ok 16881
191: ok 16882
191: ok 16883
191: ok 16884
191: ok 16885
191: ok 16886
191: ok 16887
191: ok 16888
191: ok 16889
191: ok 16890
191: ok 16891
191: ok 16892
191: ok 16893
191: ok 16894
191: ok 16895
191: ok 16896
191: ok 16897
191: ok 16898
191: ok 16899
191: ok 16900
191: ok 16901
191: ok 16902
191: ok 16903
191: ok 16904
191: ok 16905
191: ok 16906
191: ok 16907
191: ok 16908
191: ok 16909
191: ok 16910
191: ok 16911
191: ok 16912
191: ok 16913
191: ok 16914
191: ok 16915
191: ok 16916
191: ok 16917
191: ok 16918
191: ok 16919
191: ok 16920
191: ok 16921
191: ok 16922
191: ok 16923
191: ok 16924
191: ok 16925
191: ok 16926
191: ok 16927
191: ok 16928
191: ok 16929
191: ok 16930
191: ok 16931
191: ok 16932
191: ok 16933
191: ok 16934
191: ok 16935
191: ok 16936
191: ok 16937
191: ok 16938
191: ok 16939
191: ok 16940
191: ok 16941
191: ok 16942
191: ok 16943
191: ok 16944
191: ok 16945
191: ok 16946
191: ok 16947
191: ok 16948
191: ok 16949
191: ok 16950
191: ok 16951
191: ok 16952
191: ok 16953
191: ok 16954
191: ok 16955
191: ok 16956
191: ok 16957
191: ok 16958
191: ok 16959
191: ok 16960
191: ok 16961
191: ok 16962
191: ok 16963
191: ok 16964
191: ok 16965
191: ok 16966
191: ok 16967
191: ok 16968
191: ok 16969
191: ok 16970
191: ok 16971
191: ok 16972
191: ok 16973
191: ok 16974
191: ok 16975
191: ok 16976
191: ok 16977
191: ok 16978
191: ok 16979
191: ok 16980
191: ok 16981
191: ok 16982
191: ok 16983
191: ok 16984
191: ok 16985
191: ok 16986
191: ok 16987
191: ok 16988
191: ok 16989
191: ok 16990
191: ok 16991
191: ok 16992
191: ok 16993
191: ok 16994
191: ok 16995
191: ok 16996
191: ok 16997
191: ok 16998
191: ok 16999
191: ok 17000
191: ok 17001
191: ok 17002
191: ok 17003
191: ok 17004
191: ok 17005
191: ok 17006
191: ok 17007
191: ok 17008
191: ok 17009
191: ok 17010
191: ok 17011
191: ok 17012
191: ok 17013
191: ok 17014
191: ok 17015
191: ok 17016
191: ok 17017
191: ok 17018
191: ok 17019
191: ok 17020
191: ok 17021
191: ok 17022
191: ok 17023
191: ok 17024
191: ok 17025
191: ok 17026
191: ok 17027
191: ok 17028
191: ok 17029
191: ok 17030
191: ok 17031
191: ok 17032
191: ok 17033
191: ok 17034
191: ok 17035
191: ok 17036
191: ok 17037
191: ok 17038
191: ok 17039
191: ok 17040
191: ok 17041
191: ok 17042
191: ok 17043
191: ok 17044
191: ok 17045
191: ok 17046
191: ok 17047
191: ok 17048
191: ok 17049
191: ok 17050
191: ok 17051
191: ok 17052
191: ok 17053
191: ok 17054
191: ok 17055
191: ok 17056
191: ok 17057
191: ok 17058
191: ok 17059
191: ok 17060
191: ok 17061
191: ok 17062
191: ok 17063
191: ok 17064
191: ok 17065
191: ok 17066
191: ok 17067
191: ok 17068
191: ok 17069
191: ok 17070
191: ok 17071
191: ok 17072
191: ok 17073
191: ok 17074
191: ok 17075
191: ok 17076
191: ok 17077
191: ok 17078
191: ok 17079
191: ok 17080
191: ok 17081
191: ok 17082
191: ok 17083
191: ok 17084
191: ok 17085
191: ok 17086
191: ok 17087
191: ok 17088
191: ok 17089
191: ok 17090
191: ok 17091
191: ok 17092
191: ok 17093
191: ok 17094
191: ok 17095
191: ok 17096
191: ok 17097
191: ok 17098
191: ok 17099
191: ok 17100
191: ok 17101
191: ok 17102
191: ok 17103
191: ok 17104
191: ok 17105
191: ok 17106
191: ok 17107
191: ok 17108
191: ok 17109
191: ok 17110
191: ok 17111
191: ok 17112
191: ok 17113
191: ok 17114
191: ok 17115
191: ok 17116
191: ok 17117
191: ok 17118
191: ok 17119
191: ok 17120
191: ok 17121
191: ok 17122
191: ok 17123
191: ok 17124
191: ok 17125
191: ok 17126
191: ok 17127
191: ok 17128
191: ok 17129
191: ok 17130
191: ok 17131
191: ok 17132
191: ok 17133
191: ok 17134
191: ok 17135
191: ok 17136
191: ok 17137
191: ok 17138
191: ok 17139
191: ok 17140
191: ok 17141
191: ok 17142
191: ok 17143
191: ok 17144
191: ok 17145
191: ok 17146
191: ok 17147
191: ok 17148
191: ok 17149
191: ok 17150
191: ok 17151
191: ok 17152
191: ok 17153
191: ok 17154
191: ok 17155
191: ok 17156
191: ok 17157
191: ok 17158
191: ok 17159
191: ok 17160
191: ok 17161
191: ok 17162
191: ok 17163
191: ok 17164
191: ok 17165
191: ok 17166
191: ok 17167
191: ok 17168
191: ok 17169
191: ok 17170
191: ok 17171
191: ok 17172
191: ok 17173
191: ok 17174
191: ok 17175
191: ok 17176
191: ok 17177
191: ok 17178
191: ok 17179
191: ok 17180
191: ok 17181
191: ok 17182
191: ok 17183
191: ok 17184
191: ok 17185
191: ok 17186
191: ok 17187
191: ok 17188
191: ok 17189
191: ok 17190
191: ok 17191
191: ok 17192
191: ok 17193
191: ok 17194
191: ok 17195
191: ok 17196
191: ok 17197
191: ok 17198
191: ok 17199
191: ok 17200
191: ok 17201
191: ok 17202
191: ok 17203
191: ok 17204
191: ok 17205
191: ok 17206
191: ok 17207
191: ok 17208
191: ok 17209
191: ok 17210
191: ok 17211
191: ok 17212
191: ok 17213
191: ok 17214
191: ok 17215
191: ok 17216
191: ok 17217
191: ok 17218
191: ok 17219
191: ok 17220
191: ok 17221
191: ok 17222
191: ok 17223
191: ok 17224
191: ok 17225
191: ok 17226
191: ok 17227
191: ok 17228
191: ok 17229
191: ok 17230
191: ok 17231
191: ok 17232
191: ok 17233
191: ok 17234
191: ok 17235
191: ok 17236
191: ok 17237
191: ok 17238
191: ok 17239
191: ok 17240
191: ok 17241
191: ok 17242
191: ok 17243
191: ok 17244
191: ok 17245
191: ok 17246
191: ok 17247
191: ok 17248
191: ok 17249
191: ok 17250
191: ok 17251
191: ok 17252
191: ok 17253
191: ok 17254
191: ok 17255
191: ok 17256
191: ok 17257
191: ok 17258
191: ok 17259
191: ok 17260
191: ok 17261
191: ok 17262
191: ok 17263
191: ok 17264
191: ok 17265
191: ok 17266
191: ok 17267
191: ok 17268
191: ok 17269
191: ok 17270
191: ok 17271
191: ok 17272
191: ok 17273
191: ok 17274
191: ok 17275
191: ok 17276
191: ok 17277
191: ok 17278
191: ok 17279
191: ok 17280
191: ok 17281
191: ok 17282
191: ok 17283
191: ok 17284
191: ok 17285
191: ok 17286
191: ok 17287
191: ok 17288
191: ok 17289
191: ok 17290
191: ok 17291
191: ok 17292
191: ok 17293
191: ok 17294
191: ok 17295
191: ok 17296
191: ok 17297
191: ok 17298
191: ok 17299
191: ok 17300
191: ok 17301
191: ok 17302
191: ok 17303
191: ok 17304
191: ok 17305
191: ok 17306
191: ok 17307
191: ok 17308
191: ok 17309
191: ok 17310
191: ok 17311
191: ok 17312
191: ok 17313
191: ok 17314
191: ok 17315
191: ok 17316
191: ok 17317
191: ok 17318
191: ok 17319
191: ok 17320
191: ok 17321
191: ok 17322
191: ok 17323
191: ok 17324
191: ok 17325
191: ok 17326
191: ok 17327
191: ok 17328
191: ok 17329
191: ok 17330
191: ok 17331
191: ok 17332
191: ok 17333
191: ok 17334
191: ok 17335
191: ok 17336
191: ok 17337
191: ok 17338
191: ok 17339
191: ok 17340
191: ok 17341
191: ok 17342
191: ok 17343
191: ok 17344
191: ok 17345
191: ok 17346
191: ok 17347
191: ok 17348
191: ok 17349
191: ok 17350
191: ok 17351
191: ok 17352
191: ok 17353
191: ok 17354
191: ok 17355
191: ok 17356
191: ok 17357
191: ok 17358
191: ok 17359
191: ok 17360
191: ok 17361
191: ok 17362
191: ok 17363
191: ok 17364
191: ok 17365
191: ok 17366
191: ok 17367
191: ok 17368
191: ok 17369
191: ok 17370
191: ok 17371
191: ok 17372
191: ok 17373
191: ok 17374
191: ok 17375
191: ok 17376
191: ok 17377
191: ok 17378
191: ok 17379
191: ok 17380
191: ok 17381
191: ok 17382
191: ok 17383
191: ok 17384
191: ok 17385
191: ok 17386
191: ok 17387
191: ok 17388
191: ok 17389
191: ok 17390
191: ok 17391
191: ok 17392
191: ok 17393
191: ok 17394
191: ok 17395
191: ok 17396
191: ok 17397
191: ok 17398
191: ok 17399
191: ok 17400
191: ok 17401
191: ok 17402
191: ok 17403
191: ok 17404
191: ok 17405
191: ok 17406
191: ok 17407
191: ok 17408
191: ok 17409
191: ok 17410
191: ok 17411
191: ok 17412
191: ok 17413
191: ok 17414
191: ok 17415
191: ok 17416
191: ok 17417
191: ok 17418
191: ok 17419
191: ok 17420
191: ok 17421
191: ok 17422
191: ok 17423
191: ok 17424
191: ok 17425
191: ok 17426
191: ok 17427
191: ok 17428
191: ok 17429
191: ok 17430
191: ok 17431
191: ok 17432
191: ok 17433
191: ok 17434
191: ok 17435
191: ok 17436
191: ok 17437
191: ok 17438
191: ok 17439
191: ok 17440
191: ok 17441
191: ok 17442
191: ok 17443
191: ok 17444
191: ok 17445
191: ok 17446
191: ok 17447
191: ok 17448
191: ok 17449
191: ok 17450
191: ok 17451
191: ok 17452
191: ok 17453
191: ok 17454
191: ok 17455
191: ok 17456
191: ok 17457
191: ok 17458
191: ok 17459
191: ok 17460
191: ok 17461
191: ok 17462
191: ok 17463
191: ok 17464
191: ok 17465
191: ok 17466
191: ok 17467
191: ok 17468
191: ok 17469
191: ok 17470
191: ok 17471
191: ok 17472
191: ok 17473
191: ok 17474
191: ok 17475
191: ok 17476
191: ok 17477
191: ok 17478
191: ok 17479
191: ok 17480
191: ok 17481
191: ok 17482
191: ok 17483
191: ok 17484
191: ok 17485
191: ok 17486
191: ok 17487
191: ok 17488
191: ok 17489
191: ok 17490
191: ok 17491
191: ok 17492
191: ok 17493
191: ok 17494
191: ok 17495
191: ok 17496
191: ok 17497
191: ok 17498
191: ok 17499
191: ok 17500
191: ok 17501
191: ok 17502
191: ok 17503
191: ok 17504
191: ok 17505
191: ok 17506
191: ok 17507
191: ok 17508
191: ok 17509
191: ok 17510
191: ok 17511
191: ok 17512
191: ok 17513
191: ok 17514
191: ok 17515
191: ok 17516
191: ok 17517
191: ok 17518
191: ok 17519
191: ok 17520
191: ok 17521
191: ok 17522
191: ok 17523
191: ok 17524
191: ok 17525
191: ok 17526
191: ok 17527
191: ok 17528
191: ok 17529
191: ok 17530
191: ok 17531
191: ok 17532
191: ok 17533
191: ok 17534
191: ok 17535
191: ok 17536
191: ok 17537
191: ok 17538
191: ok 17539
191: ok 17540
191: ok 17541
191: ok 17542
191: ok 17543
191: ok 17544
191: ok 17545
191: ok 17546
191: ok 17547
191: ok 17548
191: ok 17549
191: ok 17550
191: ok 17551
191: ok 17552
191: ok 17553
191: ok 17554
191: ok 17555
191: ok 17556
191: ok 17557
191: ok 17558
191: ok 17559
191: ok 17560
191: ok 17561
191: ok 17562
191: ok 17563
191: ok 17564
191: ok 17565
191: ok 17566
191: ok 17567
191: ok 17568
191: ok 17569
191: ok 17570
191: ok 17571
191: ok 17572
191: ok 17573
191: ok 17574
191: ok 17575
191: ok 17576
191: ok 17577
191: ok 17578
191: ok 17579
191: ok 17580
191: ok 17581
191: ok 17582
191: ok 17583
191: ok 17584
191: ok 17585
191: ok 17586
191: ok 17587
191: ok 17588
191: ok 17589
191: ok 17590
191: ok 17591
191: ok 17592
191: ok 17593
191: ok 17594
191: ok 17595
191: ok 17596
191: ok 17597
191: ok 17598
191: ok 17599
191: ok 17600
191: ok 17601
191: ok 17602
191: ok 17603
191: ok 17604
191: ok 17605
191: ok 17606
191: ok 17607
191: ok 17608
191: ok 17609
191: ok 17610
191: ok 17611
191: ok 17612
191: ok 17613
191: ok 17614
191: ok 17615
191: ok 17616
191: ok 17617
191: ok 17618
191: ok 17619
191: ok 17620
191: ok 17621
191: ok 17622
191: ok 17623
191: ok 17624
191: ok 17625
191: ok 17626
191: ok 17627
191: ok 17628
191: ok 17629
191: ok 17630
191: ok 17631
191: ok 17632
191: ok 17633
191: ok 17634
191: ok 17635
191: ok 17636
191: ok 17637
191: ok 17638
191: ok 17639
191: ok 17640
191: ok 17641
191: ok 17642
191: ok 17643
191: ok 17644
191: ok 17645
191: ok 17646
191: ok 17647
191: ok 17648
191: ok 17649
191: ok 17650
191: ok 17651
191: ok 17652
191: ok 17653
191: ok 17654
191: ok 17655
191: ok 17656
191: ok 17657
191: ok 17658
191: ok 17659
191: ok 17660
191: ok 17661
191: ok 17662
191: ok 17663
191: ok 17664
191: ok 17665
191: ok 17666
191: ok 17667
191: ok 17668
191: ok 17669
191: ok 17670
191: ok 17671
191: ok 17672
191: ok 17673
191: ok 17674
191: ok 17675
191: ok 17676
191: ok 17677
191: ok 17678
191: ok 17679
191: ok 17680
191: ok 17681
191: ok 17682
191: ok 17683
191: ok 17684
191: ok 17685
191: ok 17686
191: ok 17687
191: ok 17688
191: ok 17689
191: ok 17690
191: ok 17691
191: ok 17692
191: ok 17693
191: ok 17694
191: ok 17695
191: ok 17696
191: ok 17697
191: ok 17698
191: ok 17699
191: ok 17700
191: ok 17701
191: ok 17702
191: ok 17703
191: ok 17704
191: ok 17705
191: ok 17706
191: ok 17707
191: ok 17708
191: ok 17709
191: ok 17710
191: ok 17711
191: ok 17712
191: ok 17713
191: ok 17714
191: ok 17715
191: ok 17716
191: ok 17717
191: ok 17718
191: ok 17719
191: ok 17720
191: ok 17721
191: ok 17722
191: ok 17723
191: ok 17724
191: ok 17725
191: ok 17726
191: ok 17727
191: ok 17728
191: ok 17729
191: ok 17730
191: ok 17731
191: ok 17732
191: ok 17733
191: ok 17734
191: ok 17735
191: ok 17736
191: ok 17737
191: ok 17738
191: ok 17739
191: ok 17740
191: ok 17741
191: ok 17742
191: ok 17743
191: ok 17744
191: ok 17745
191: ok 17746
191: ok 17747
191: ok 17748
191: ok 17749
191: ok 17750
191: ok 17751
191: ok 17752
191: ok 17753
191: ok 17754
191: ok 17755
191: ok 17756
191: ok 17757
191: ok 17758
191: ok 17759
191: ok 17760
191: ok 17761
191: ok 17762
191: ok 17763
191: ok 17764
191: ok 17765
191: ok 17766
191: ok 17767
191: ok 17768
191: ok 17769
191: ok 17770
191: ok 17771
191: ok 17772
191: ok 17773
191: ok 17774
191: ok 17775
191: ok 17776
191: ok 17777
191: ok 17778
191: ok 17779
191: ok 17780
191: ok 17781
191: ok 17782
191: ok 17783
191: ok 17784
191: ok 17785
191: ok 17786
191: ok 17787
191: ok 17788
191: ok 17789
191: ok 17790
191: ok 17791
191: ok 17792
191: ok 17793
191: ok 17794
191: ok 17795
191: ok 17796
191: ok 17797
191: ok 17798
191: ok 17799
191: ok 17800
191: ok 17801
191: ok 17802
191: ok 17803
191: ok 17804
191: ok 17805
191: ok 17806
191: ok 17807
191: ok 17808
191: ok 17809
191: ok 17810
191: ok 17811
191: ok 17812
191: ok 17813
191: ok 17814
191: ok 17815
191: ok 17816
191: ok 17817
191: ok 17818
191: ok 17819
191: ok 17820
191: ok 17821
191: ok 17822
191: ok 17823
191: ok 17824
191: ok 17825
191: ok 17826
191: ok 17827
191: ok 17828
191: ok 17829
191: ok 17830
191: ok 17831
191: ok 17832
191: ok 17833
191: ok 17834
191: ok 17835
191: ok 17836
191: ok 17837
191: ok 17838
191: ok 17839
191: ok 17840
191: ok 17841
191: ok 17842
191: ok 17843
191: ok 17844
191: ok 17845
191: ok 17846
191: ok 17847
191: ok 17848
191: ok 17849
191: ok 17850
191: ok 17851
191: ok 17852
191: ok 17853
191: ok 17854
191: ok 17855
191: ok 17856
191: ok 17857
191: ok 17858
191: ok 17859
191: ok 17860
191: ok 17861
191: ok 17862
191: ok 17863
191: ok 17864
191: ok 17865
191: ok 17866
191: ok 17867
191: ok 17868
191: ok 17869
191: ok 17870
191: ok 17871
191: ok 17872
191: ok 17873
191: ok 17874
191: ok 17875
191: ok 17876
191: ok 17877
191: ok 17878
191: ok 17879
191: ok 17880
191: ok 17881
191: ok 17882
191: ok 17883
191: ok 17884
191: ok 17885
191: ok 17886
191: ok 17887
191: ok 17888
191: ok 17889
191: ok 17890
191: ok 17891
191: ok 17892
191: ok 17893
191: ok 17894
191: ok 17895
191: ok 17896
191: ok 17897
191: ok 17898
191: ok 17899
191: ok 17900
191: ok 17901
191: ok 17902
191: ok 17903
191: ok 17904
191: ok 17905
191: ok 17906
191: ok 17907
191: ok 17908
191: ok 17909
191: ok 17910
191: ok 17911
191: ok 17912
191: ok 17913
191: ok 17914
191: ok 17915
191: ok 17916
191: ok 17917
191: ok 17918
191: ok 17919
191: ok 17920
191: ok 17921
191: ok 17922
191: ok 17923
191: ok 17924
191: ok 17925
191: ok 17926
191: ok 17927
191: ok 17928
191: ok 17929
191: ok 17930
191: ok 17931
191: ok 17932
191: ok 17933
191: ok 17934
191: ok 17935
191: ok 17936
191: ok 17937
191: ok 17938
191: ok 17939
191: ok 17940
191: ok 17941
191: ok 17942
191: ok 17943
191: ok 17944
191: ok 17945
191: ok 17946
191: ok 17947
191: ok 17948
191: ok 17949
191: ok 17950
191: ok 17951
191: ok 17952
191: ok 17953
191: ok 17954
191: ok 17955
191: ok 17956
191: ok 17957
191: ok 17958
191: ok 17959
191: ok 17960
191: ok 17961
191: ok 17962
191: ok 17963
191: ok 17964
191: ok 17965
191: ok 17966
191: ok 17967
191: ok 17968
191: ok 17969
191: ok 17970
191: ok 17971
191: ok 17972
191: ok 17973
191: ok 17974
191: ok 17975
191: ok 17976
191: ok 17977
191: ok 17978
191: ok 17979
191: ok 17980
191: ok 17981
191: ok 17982
191: ok 17983
191: ok 17984
191: ok 17985
191: ok 17986
191: ok 17987
191: ok 17988
191: ok 17989
191: ok 17990
191: ok 17991
191: ok 17992
191: ok 17993
191: ok 17994
191: ok 17995
191: ok 17996
191: ok 17997
191: ok 17998
191: ok 17999
191: ok 18000
191: ok 18001
191: ok 18002
191: ok 18003
191: ok 18004
191: ok 18005
191: ok 18006
191: ok 18007
191: ok 18008
191: ok 18009
191: ok 18010
191: ok 18011
191: ok 18012
191: ok 18013
191: ok 18014
191: ok 18015
191: ok 18016
191: ok 18017
191: ok 18018
191: ok 18019
191: ok 18020
191: ok 18021
191: ok 18022
191: ok 18023
191: ok 18024
191: ok 18025
191: ok 18026
191: ok 18027
191: ok 18028
191: ok 18029
191: ok 18030
191: ok 18031
191: ok 18032
191: ok 18033
191: ok 18034
191: ok 18035
191: ok 18036
191: ok 18037
191: ok 18038
191: ok 18039
191: ok 18040
191: ok 18041
191: ok 18042
191: ok 18043
191: ok 18044
191: ok 18045
191: ok 18046
191: ok 18047
191: ok 18048
191: ok 18049
191: ok 18050
191: ok 18051
191: ok 18052
191: ok 18053
191: ok 18054
191: ok 18055
191: ok 18056
191: ok 18057
191: ok 18058
191: ok 18059
191: ok 18060
191: ok 18061
191: ok 18062
191: ok 18063
191: ok 18064
191: ok 18065
191: ok 18066
191: ok 18067
191: ok 18068
191: ok 18069
191: ok 18070
191: ok 18071
191: ok 18072
191: ok 18073
191: ok 18074
191: ok 18075
191: ok 18076
191: ok 18077
191: ok 18078
191: ok 18079
191: ok 18080
191: ok 18081
191: ok 18082
191: ok 18083
191: ok 18084
191: ok 18085
191: ok 18086
191: ok 18087
191: ok 18088
191: ok 18089
191: ok 18090
191: ok 18091
191: ok 18092
191: ok 18093
191: ok 18094
191: ok 18095
191: ok 18096
191: ok 18097
191: ok 18098
191: ok 18099
191: ok 18100
191: ok 18101
191: ok 18102
191: ok 18103
191: ok 18104
191: ok 18105
191: ok 18106
191: ok 18107
191: ok 18108
191: ok 18109
191: ok 18110
191: ok 18111
191: ok 18112
191: ok 18113
191: ok 18114
191: ok 18115
191: ok 18116
191: ok 18117
191: ok 18118
191: ok 18119
191: ok 18120
191: ok 18121
191: ok 18122
191: ok 18123
191: ok 18124
191: ok 18125
191: ok 18126
191: ok 18127
191: ok 18128
191: ok 18129
191: ok 18130
191: ok 18131
191: ok 18132
191: ok 18133
191: ok 18134
191: ok 18135
191: ok 18136
191: ok 18137
191: ok 18138
191: ok 18139
191: ok 18140
191: ok 18141
191: ok 18142
191: ok 18143
191: ok 18144
191: ok 18145
191: ok 18146
191: ok 18147
191: ok 18148
191: ok 18149
191: ok 18150
191: ok 18151
191: ok 18152
191: ok 18153
191: ok 18154
191: ok 18155
191: ok 18156
191: ok 18157
191: ok 18158
191: ok 18159
191: ok 18160
191: ok 18161
191: ok 18162
191: ok 18163
191: ok 18164
191: ok 18165
191: ok 18166
191: ok 18167
191: ok 18168
191: ok 18169
191: ok 18170
191: ok 18171
191: ok 18172
191: ok 18173
191: ok 18174
191: ok 18175
191: ok 18176
191: ok 18177
191: ok 18178
191: ok 18179
191: ok 18180
191: ok 18181
191: ok 18182
191: ok 18183
191: ok 18184
191: ok 18185
191: ok 18186
191: ok 18187
191: ok 18188
191: ok 18189
191: ok 18190
191: ok 18191
191: ok 18192
191: ok 18193
191: ok 18194
191: ok 18195
191: ok 18196
191: ok 18197
191: ok 18198
191: ok 18199
191: ok 18200
191: ok 18201
191: ok 18202
191: ok 18203
191: ok 18204
191: ok 18205
191: ok 18206
191: ok 18207
191: ok 18208
191: ok 18209
191: ok 18210
191: ok 18211
191: ok 18212
191: ok 18213
191: ok 18214
191: ok 18215
191: ok 18216
191: ok 18217
191: ok 18218
191: ok 18219
191: ok 18220
191: ok 18221
191: ok 18222
191: ok 18223
191: ok 18224
191: ok 18225
191: ok 18226
191: ok 18227
191: ok 18228
191: ok 18229
191: ok 18230
191: ok 18231
191: ok 18232
191: ok 18233
191: ok 18234
191: ok 18235
191: ok 18236
191: ok 18237
191: ok 18238
191: ok 18239
191: ok 18240
191: ok 18241
191: ok 18242
191: ok 18243
191: ok 18244
191: ok 18245
191: ok 18246
191: ok 18247
191: ok 18248
191: ok 18249
191: ok 18250
191: ok 18251
191: ok 18252
191: ok 18253
191: ok 18254
191: ok 18255
191: ok 18256
191: ok 18257
191: ok 18258
191: ok 18259
191: ok 18260
191: ok 18261
191: ok 18262
191: ok 18263
191: ok 18264
191: ok 18265
191: ok 18266
191: ok 18267
191: ok 18268
191: ok 18269
191: ok 18270
191: ok 18271
191: ok 18272
191: ok 18273
191: ok 18274
191: ok 18275
191: ok 18276
191: ok 18277
191: ok 18278
191: ok 18279
191: ok 18280
191: ok 18281
191: ok 18282
191: ok 18283
191: ok 18284
191: ok 18285
191: ok 18286
191: ok 18287
191: ok 18288
191: ok 18289
191: ok 18290
191: ok 18291
191: ok 18292
191: ok 18293
191: ok 18294
191: ok 18295
191: ok 18296
191: ok 18297
191: ok 18298
191: ok 18299
191: ok 18300
191: ok 18301
191: ok 18302
191: ok 18303
191: ok 18304
191: ok 18305
191: ok 18306
191: ok 18307
191: ok 18308
191: ok 18309
191: ok 18310
191: ok 18311
191: ok 18312
191: ok 18313
191: ok 18314
191: ok 18315
191: ok 18316
191: ok 18317
191: ok 18318
191: ok 18319
191: ok 18320
191: ok 18321
191: ok 18322
191: ok 18323
191: ok 18324
191: ok 18325
191: ok 18326
191: ok 18327
191: ok 18328
191: ok 18329
191: ok 18330
191: ok 18331
191: ok 18332
191: ok 18333
191: ok 18334
191: ok 18335
191: ok 18336
191: ok 18337
191: ok 18338
191: ok 18339
191: ok 18340
191: ok 18341
191: ok 18342
191: ok 18343
191: ok 18344
191: ok 18345
191: ok 18346
191: ok 18347
191: ok 18348
191: ok 18349
191: ok 18350
191: ok 18351
191: ok 18352
191: ok 18353
191: ok 18354
191: ok 18355
191: ok 18356
191: ok 18357
191: ok 18358
191: ok 18359
191: ok 18360
191: ok 18361
191: ok 18362
191: ok 18363
191: ok 18364
191: ok 18365
191: ok 18366
191: ok 18367
191: ok 18368
191: ok 18369
191: ok 18370
191: ok 18371
191: ok 18372
191: ok 18373
191: ok 18374
191: ok 18375
191: ok 18376
191: ok 18377
191: ok 18378
191: ok 18379
191: ok 18380
191: ok 18381
191: ok 18382
191: ok 18383
191: ok 18384
191: ok 18385
191: ok 18386
191: ok 18387
191: ok 18388
191: ok 18389
191: ok 18390
191: ok 18391
191: ok 18392
191: ok 18393
191: ok 18394
191: ok 18395
191: ok 18396
191: ok 18397
191: ok 18398
191: ok 18399
191: ok 18400
191: ok 18401
191: ok 18402
191: ok 18403
191: ok 18404
191: ok 18405
191: ok 18406
191: ok 18407
191: ok 18408
191: ok 18409
191: ok 18410
191: ok 18411
191: ok 18412
191: ok 18413
191: ok 18414
191: ok 18415
191: ok 18416
191: ok 18417
191: ok 18418
191: ok 18419
191: ok 18420
191: ok 18421
191: ok 18422
191: ok 18423
191: ok 18424
191: ok 18425
191: ok 18426
191: ok 18427
191: ok 18428
191: ok 18429
191: ok 18430
191: ok 18431
191: ok 18432
191: ok 18433
191: ok 18434
191: ok 18435
191: ok 18436
191: ok 18437
191: ok 18438
191: ok 18439
191: ok 18440
191: ok 18441
191: ok 18442
191: ok 18443
191: ok 18444
191: ok 18445
191: ok 18446
191: ok 18447
191: ok 18448
191: ok 18449
191: ok 18450
191: ok 18451
191: ok 18452
191: ok 18453
191: ok 18454
191: ok 18455
191: ok 18456
191: ok 18457
191: ok 18458
191: ok 18459
191: ok 18460
191: ok 18461
191: ok 18462
191: ok 18463
191: ok 18464
191: ok 18465
191: ok 18466
191: ok 18467
191: ok 18468
191: ok 18469
191: ok 18470
191: ok 18471
191: ok 18472
191: ok 18473
191: ok 18474
191: ok 18475
191: ok 18476
191: ok 18477
191: ok 18478
191: ok 18479
191: ok 18480
191: ok 18481
191: ok 18482
191: ok 18483
191: ok 18484
191: ok 18485
191: ok 18486
191: ok 18487
191: ok 18488
191: ok 18489
191: ok 18490
191: ok 18491
191: ok 18492
191: ok 18493
191: ok 18494
191: ok 18495
191: ok 18496
191: ok 18497
191: ok 18498
191: ok 18499
191: ok 18500
191: ok 18501
191: ok 18502
191: ok 18503
191: ok 18504
191: ok 18505
191: ok 18506
191: ok 18507
191: ok 18508
191: ok 18509
191: ok 18510
191: ok 18511
191: ok 18512
191: ok 18513
191: ok 18514
191: ok 18515
191: ok 18516
191: ok 18517
191: ok 18518
191: ok 18519
191: ok 18520
191: ok 18521
191: ok 18522
191: ok 18523
191: ok 18524
191: ok 18525
191: ok 18526
191: ok 18527
191: ok 18528
191: ok 18529
191: ok 18530
191: ok 18531
191: ok 18532
191: ok 18533
191: ok 18534
191: ok 18535
191: ok 18536
191: ok 18537
191: ok 18538
191: ok 18539
191: ok 18540
191: ok 18541
191: ok 18542
191: ok 18543
191: ok 18544
191: ok 18545
191: ok 18546
191: ok 18547
191: ok 18548
191: ok 18549
191: ok 18550
191: ok 18551
191: ok 18552
191: ok 18553
191: ok 18554
191: ok 18555
191: ok 18556
191: ok 18557
191: ok 18558
191: ok 18559
191: ok 18560
191: ok 18561
191: ok 18562
191: ok 18563
191: ok 18564
191: ok 18565
191: ok 18566
191: ok 18567
191: ok 18568
191: ok 18569
191: ok 18570
191: ok 18571
191: ok 18572
191: ok 18573
191: ok 18574
191: ok 18575
191: ok 18576
191: ok 18577
191: ok 18578
191: ok 18579
191: ok 18580
191: ok 18581
191: ok 18582
191: ok 18583
191: ok 18584
191: ok 18585
191: ok 18586
191: ok 18587
191: ok 18588
191: ok 18589
191: ok 18590
191: ok 18591
191: ok 18592
191: ok 18593
191: ok 18594
191: ok 18595
191: ok 18596
191: ok 18597
191: ok 18598
191: ok 18599
191: ok 18600
191: ok 18601
191: ok 18602
191: ok 18603
191: ok 18604
191: ok 18605
191: ok 18606
191: ok 18607
191: ok 18608
191: ok 18609
191: ok 18610
191: ok 18611
191: ok 18612
191: ok 18613
191: ok 18614
191: ok 18615
191: ok 18616
191: ok 18617
191: ok 18618
191: ok 18619
191: ok 18620
191: ok 18621
191: ok 18622
191: ok 18623
191: ok 18624
191: ok 18625
191: ok 18626
191: ok 18627
191: ok 18628
191: ok 18629
191: ok 18630
191: ok 18631
191: ok 18632
191: ok 18633
191: ok 18634
191: ok 18635
191: ok 18636
191: ok 18637
191: ok 18638
191: ok 18639
191: ok 18640
191: ok 18641
191: ok 18642
191: ok 18643
191: ok 18644
191: ok 18645
191: ok 18646
191: ok 18647
191: ok 18648
191: ok 18649
191: ok 18650
191: ok 18651
191: ok 18652
191: ok 18653
191: ok 18654
191: ok 18655
191: ok 18656
191: ok 18657
191: ok 18658
191: ok 18659
191: ok 18660
191: ok 18661
191: ok 18662
191: ok 18663
191: ok 18664
191: ok 18665
191: ok 18666
191: ok 18667
191: ok 18668
191: ok 18669
191: ok 18670
191: ok 18671
191: ok 18672
191: ok 18673
191: ok 18674
191: ok 18675
191: ok 18676
191: ok 18677
191: ok 18678
191: ok 18679
191: ok 18680
191: ok 18681
191: ok 18682
191: ok 18683
191: ok 18684
191: ok 18685
191: ok 18686
191: ok 18687
191: ok 18688
191: ok 18689
191: ok 18690
191: ok 18691
191: ok 18692
191: ok 18693
191: ok 18694
191: ok 18695
191: ok 18696
191: ok 18697
191: ok 18698
191: ok 18699
191: ok 18700
191: ok 18701
191: ok 18702
191: ok 18703
191: ok 18704
191: ok 18705
191: ok 18706
191: ok 18707
191: ok 18708
191: ok 18709
191: ok 18710
191: ok 18711
191: ok 18712
191: ok 18713
191: ok 18714
191: ok 18715
191: ok 18716
191: ok 18717
191: ok 18718
191: ok 18719
191: ok 18720
191: ok 18721
191: ok 18722
191: ok 18723
191: ok 18724
191: ok 18725
191: ok 18726
191: ok 18727
191: ok 18728
191: ok 18729
191: ok 18730
191: ok 18731
191: ok 18732
191: ok 18733
191: ok 18734
191: ok 18735
191: ok 18736
191: ok 18737
191: ok 18738
191: ok 18739
191: ok 18740
191: ok 18741
191: ok 18742
191: ok 18743
191: ok 18744
191: ok 18745
191: ok 18746
191: ok 18747
191: ok 18748
191: ok 18749
191: ok 18750
191: ok 18751
191: ok 18752
191: ok 18753
191: ok 18754
191: ok 18755
191: ok 18756
191: ok 18757
191: ok 18758
191: ok 18759
191: ok 18760
191: ok 18761
191: ok 18762
191: ok 18763
191: ok 18764
191: ok 18765
191: ok 18766
191: ok 18767
191: ok 18768
191: ok 18769
191: ok 18770
191: ok 18771
191: ok 18772
191: ok 18773
191: ok 18774
191: ok 18775
191: ok 18776
191: ok 18777
191: ok 18778
191: ok 18779
191: ok 18780
191: ok 18781
191: ok 18782
191: ok 18783
191: ok 18784
191: ok 18785
191: ok 18786
191: ok 18787
191: ok 18788
191: ok 18789
191: ok 18790
191: ok 18791
191: ok 18792
191: ok 18793
191: ok 18794
191: ok 18795
191: ok 18796
191: ok 18797
191: ok 18798
191: ok 18799
191: ok 18800
191: ok 18801
191: ok 18802
191: ok 18803
191: ok 18804
191: ok 18805
191: ok 18806
191: ok 18807
191: ok 18808
191: ok 18809
191: ok 18810
191: ok 18811
191: ok 18812
191: ok 18813
191: ok 18814
191: ok 18815
191: ok 18816
191: ok 18817
191: ok 18818
191: ok 18819
191: ok 18820
191: ok 18821
191: ok 18822
191: ok 18823
191: ok 18824
191: ok 18825
191: ok 18826
191: ok 18827
191: ok 18828
191: ok 18829
191: ok 18830
191: ok 18831
191: ok 18832
191: ok 18833
191: ok 18834
191: ok 18835
191: ok 18836
191: ok 18837
191: ok 18838
191: ok 18839
191: ok 18840
191: ok 18841
191: ok 18842
191: ok 18843
191: ok 18844
191: ok 18845
191: ok 18846
191: ok 18847
191: ok 18848
191: ok 18849
191: ok 18850
191: ok 18851
191: ok 18852
191: ok 18853
191: ok 18854
191: ok 18855
191: ok 18856
191: ok 18857
191: ok 18858
191: ok 18859
191: ok 18860
191: ok 18861
191: ok 18862
191: ok 18863
191: ok 18864
191: ok 18865
191: ok 18866
191: ok 18867
191: ok 18868
191: ok 18869
191: ok 18870
191: ok 18871
191: ok 18872
191: ok 18873
191: ok 18874
191: ok 18875
191: ok 18876
191: ok 18877
191: ok 18878
191: ok 18879
191: ok 18880
191: ok 18881
191: ok 18882
191: ok 18883
191: ok 18884
191: ok 18885
191: ok 18886
191: ok 18887
191: ok 18888
191: ok 18889
191: ok 18890
191: ok 18891
191: ok 18892
191: ok 18893
191: ok 18894
191: ok 18895
191: ok 18896
191: ok 18897
191: ok 18898
191: ok 18899
191: ok 18900
191: ok 18901
191: ok 18902
191: ok 18903
191: ok 18904
191: ok 18905
191: ok 18906
191: ok 18907
191: ok 18908
191: ok 18909
191: ok 18910
191: ok 18911
191: ok 18912
191: ok 18913
191: ok 18914
191: ok 18915
191: ok 18916
191: ok 18917
191: ok 18918
191: ok 18919
191: ok 18920
191: ok 18921
191: ok 18922
191: ok 18923
191: ok 18924
191: ok 18925
191: ok 18926
191: ok 18927
191: ok 18928
191: ok 18929
191: ok 18930
191: ok 18931
191: ok 18932
191: ok 18933
191: ok 18934
191: ok 18935
191: ok 18936
191: ok 18937
191: ok 18938
191: ok 18939
191: ok 18940
191: ok 18941
191: ok 18942
191: ok 18943
191: ok 18944
191: ok 18945
191: ok 18946
191: ok 18947
191: ok 18948
191: ok 18949
191: ok 18950
191: ok 18951
191: ok 18952
191: ok 18953
191: ok 18954
191: ok 18955
191: ok 18956
191: ok 18957
191: ok 18958
191: ok 18959
191: ok 18960
191: ok 18961
191: ok 18962
191: ok 18963
191: ok 18964
191: ok 18965
191: ok 18966
191: ok 18967
191: ok 18968
191: ok 18969
191: ok 18970
191: ok 18971
191: ok 18972
191: ok 18973
191: ok 18974
191: ok 18975
191: ok 18976
191: ok 18977
191: ok 18978
191: ok 18979
191: ok 18980
191: ok 18981
191: ok 18982
191: ok 18983
191: ok 18984
191: ok 18985
191: ok 18986
191: ok 18987
191: ok 18988
191: ok 18989
191: ok 18990
191: ok 18991
191: ok 18992
191: ok 18993
191: ok 18994
191: ok 18995
191: ok 18996
191: ok 18997
191: ok 18998
191: ok 18999
191: ok 19000
191: ok 19001
191: ok 19002
191: ok 19003
191: ok 19004
191: ok 19005
191: ok 19006
191: ok 19007
191: ok 19008
191: ok 19009
191: ok 19010
191: ok 19011
191: ok 19012
191: ok 19013
191: ok 19014
191: ok 19015
191: ok 19016
191: ok 19017
191: ok 19018
191: ok 19019
191: ok 19020
191: ok 19021
191: ok 19022
191: ok 19023
191: ok 19024
191: ok 19025
191: ok 19026
191: ok 19027
191: ok 19028
191: ok 19029
191: ok 19030
191: ok 19031
191: ok 19032
191: ok 19033
191: ok 19034
191: ok 19035
191: ok 19036
191: ok 19037
191: ok 19038
191: ok 19039
191: ok 19040
191: ok 19041
191: ok 19042
191: ok 19043
191: ok 19044
191: ok 19045
191: ok 19046
191: ok 19047
191: ok 19048
191: ok 19049
191: ok 19050
191: ok 19051
191: ok 19052
191: ok 19053
191: ok 19054
191: ok 19055
191: ok 19056
191: ok 19057
191: ok 19058
191: ok 19059
191: ok 19060
191: ok 19061
191: ok 19062
191: ok 19063
191: ok 19064
191: ok 19065
191: ok 19066
191: ok 19067
191: ok 19068
191: ok 19069
191: ok 19070
191: ok 19071
191: ok 19072
191: ok 19073
191: ok 19074
191: ok 19075
191: ok 19076
191: ok 19077
191: ok 19078
191: ok 19079
191: ok 19080
191: ok 19081
191: ok 19082
191: ok 19083
191: ok 19084
191: ok 19085
191: ok 19086
191: ok 19087
191: ok 19088
191: ok 19089
191: ok 19090
191: ok 19091
191: ok 19092
191: ok 19093
191: ok 19094
191: ok 19095
191: ok 19096
191: ok 19097
191: ok 19098
191: ok 19099
191: ok 19100
191: ok 19101
191: ok 19102
191: ok 19103
191: ok 19104
191: ok 19105
191: ok 19106
191: ok 19107
191: ok 19108
191: ok 19109
191: ok 19110
191: ok 19111
191: ok 19112
191: ok 19113
191: ok 19114
191: ok 19115
191: ok 19116
191: ok 19117
191: ok 19118
191: ok 19119
191: ok 19120
191: ok 19121
191: ok 19122
191: ok 19123
191: ok 19124
191: ok 19125
191: ok 19126
191: ok 19127
191: ok 19128
191: ok 19129
191: ok 19130
191: ok 19131
191: ok 19132
191: ok 19133
191: ok 19134
191: ok 19135
191: ok 19136
191: ok 19137
191: ok 19138
191: ok 19139
191: ok 19140
191: ok 19141
191: ok 19142
191: ok 19143
191: ok 19144
191: ok 19145
191: ok 19146
191: ok 19147
191: ok 19148
191: ok 19149
191: ok 19150
191: ok 19151
191: ok 19152
191: ok 19153
191: ok 19154
191: ok 19155
191: ok 19156
191: ok 19157
191: ok 19158
191: ok 19159
191: ok 19160
191: ok 19161
191: ok 19162
191: ok 19163
191: ok 19164
191: ok 19165
191: ok 19166
191: ok 19167
191: ok 19168
191: ok 19169
191: ok 19170
191: ok 19171
191: ok 19172
191: ok 19173
191: ok 19174
191: ok 19175
191: ok 19176
191: ok 19177
191: ok 19178
191: ok 19179
191: ok 19180
191: ok 19181
191: ok 19182
191: ok 19183
191: ok 19184
191: ok 19185
191: ok 19186
191: ok 19187
191: ok 19188
191: ok 19189
191: ok 19190
191: ok 19191
191: ok 19192
191: ok 19193
191: ok 19194
191: ok 19195
191: ok 19196
191: ok 19197
191: ok 19198
191: ok 19199
191: ok 19200
191: ok 19201
191: ok 19202
191: ok 19203
191: ok 19204
191: ok 19205
191: ok 19206
191: ok 19207
191: ok 19208
191: ok 19209
191: ok 19210
191: ok 19211
191: ok 19212
191: ok 19213
191: ok 19214
191: ok 19215
191: ok 19216
191: ok 19217
191: ok 19218
191: ok 19219
191: ok 19220
191: ok 19221
191: ok 19222
191: ok 19223
191: ok 19224
191: ok 19225
191: ok 19226
191: ok 19227
191: ok 19228
191: ok 19229
191: ok 19230
191: ok 19231
191: ok 19232
191: ok 19233
191: ok 19234
191: ok 19235
191: ok 19236
191: ok 19237
191: ok 19238
191: ok 19239
191: ok 19240
191: ok 19241
191: ok 19242
191: ok 19243
191: ok 19244
191: ok 19245
191: ok 19246
191: ok 19247
191: ok 19248
191: ok 19249
191: ok 19250
191: ok 19251
191: ok 19252
191: ok 19253
191: ok 19254
191: ok 19255
191: ok 19256
191: ok 19257
191: ok 19258
191: ok 19259
191: ok 19260
191: ok 19261
191: ok 19262
191: ok 19263
191: ok 19264
191: ok 19265
191: ok 19266
191: ok 19267
191: ok 19268
191: ok 19269
191: ok 19270
191: ok 19271
191: ok 19272
191: ok 19273
191: ok 19274
191: ok 19275
191: ok 19276
191: ok 19277
191: ok 19278
191: ok 19279
191: ok 19280
191: ok 19281
191: ok 19282
191: ok 19283
191: ok 19284
191: ok 19285
191: ok 19286
191: ok 19287
191: ok 19288
191: ok 19289
191: ok 19290
191: ok 19291
191: ok 19292
191: ok 19293
191: ok 19294
191: ok 19295
191: ok 19296
191: ok 19297
191: ok 19298
191: ok 19299
191: ok 19300
191: ok 19301
191: ok 19302
191: ok 19303
191: ok 19304
191: ok 19305
191: ok 19306
191: ok 19307
191: ok 19308
191: ok 19309
191: ok 19310
191: ok 19311
191: ok 19312
191: ok 19313
191: ok 19314
191: ok 19315
191: ok 19316
191: ok 19317
191: ok 19318
191: ok 19319
191: ok 19320
191: ok 19321
191: ok 19322
191: ok 19323
191: ok 19324
191: ok 19325
191: ok 19326
191: ok 19327
191: ok 19328
191: ok 19329
191: ok 19330
191: ok 19331
191: ok 19332
191: ok 19333
191: ok 19334
191: ok 19335
191: ok 19336
191: ok 19337
191: ok 19338
191: ok 19339
191: ok 19340
191: ok 19341
191: ok 19342
191: ok 19343
191: ok 19344
191: ok 19345
191: ok 19346
191: ok 19347
191: ok 19348
191: ok 19349
191: ok 19350
191: ok 19351
191: ok 19352
191: ok 19353
191: ok 19354
191: ok 19355
191: ok 19356
191: ok 19357
191: ok 19358
191: ok 19359
191: ok 19360
191: ok 19361
191: ok 19362
191: ok 19363
191: ok 19364
191: ok 19365
191: ok 19366
191: ok 19367
191: ok 19368
191: ok 19369
191: ok 19370
191: ok 19371
191: ok 19372
191: ok 19373
191: ok 19374
191: ok 19375
191: ok 19376
191: ok 19377
191: ok 19378
191: ok 19379
191: ok 19380
191: ok 19381
191: ok 19382
191: ok 19383
191: ok 19384
191: ok 19385
191: ok 19386
191: ok 19387
191: ok 19388
191: ok 19389
191: ok 19390
191: ok 19391
191: ok 19392
191: ok 19393
191: ok 19394
191: ok 19395
191: ok 19396
191: ok 19397
191: ok 19398
191: ok 19399
191: ok 19400
191: ok 19401
191: ok 19402
191: ok 19403
191: ok 19404
191: ok 19405
191: ok 19406
191: ok 19407
191: ok 19408
191: ok 19409
191: ok 19410
191: ok 19411
191: ok 19412
191: ok 19413
191: ok 19414
191: ok 19415
191: ok 19416
191: ok 19417
191: ok 19418
191: ok 19419
191: ok 19420
191: ok 19421
191: ok 19422
191: ok 19423
191: ok 19424
191: ok 19425
191: ok 19426
191: ok 19427
191: ok 19428
191: ok 19429
191: ok 19430
191: ok 19431
191: ok 19432
191: ok 19433
191: ok 19434
191: ok 19435
191: ok 19436
191: ok 19437
191: ok 19438
191: ok 19439
191: ok 19440
191: ok 19441
191: ok 19442
191: ok 19443
191: ok 19444
191: ok 19445
191: ok 19446
191: ok 19447
191: ok 19448
191: ok 19449
191: ok 19450
191: ok 19451
191: ok 19452
191: ok 19453
191: ok 19454
191: ok 19455
191: ok 19456
191: ok 19457
191: ok 19458
191: ok 19459
191: ok 19460
191: ok 19461
191: ok 19462
191: ok 19463
191: ok 19464
191: ok 19465
191: ok 19466
191: ok 19467
191: ok 19468
191: ok 19469
191: ok 19470
191: ok 19471
191: ok 19472
191: ok 19473
191: ok 19474
191: ok 19475
191: ok 19476
191: ok 19477
191: ok 19478
191: ok 19479
191: ok 19480
191: ok 19481
191: ok 19482
191: ok 19483
191: ok 19484
191: ok 19485
191: ok 19486
191: ok 19487
191: ok 19488
191: ok 19489
191: ok 19490
191: ok 19491
191: ok 19492
191: ok 19493
191: ok 19494
191: ok 19495
191: ok 19496
191: ok 19497
191: ok 19498
191: ok 19499
191: ok 19500
191: ok 19501
191: ok 19502
191: ok 19503
191: ok 19504
191: ok 19505
191: ok 19506
191: ok 19507
191: ok 19508
191: ok 19509
191: ok 19510
191: ok 19511
191: ok 19512
191: ok 19513
191: ok 19514
191: ok 19515
191: ok 19516
191: ok 19517
191: ok 19518
191: ok 19519
191: ok 19520
191: ok 19521
191: ok 19522
191: ok 19523
191: ok 19524
191: ok 19525
191: ok 19526
191: ok 19527
191: ok 19528
191: ok 19529
191: ok 19530
191: ok 19531
191: ok 19532
191: ok 19533
191: ok 19534
191: ok 19535
191: ok 19536
191: ok 19537
191: ok 19538
191: ok 19539
191: ok 19540
191: ok 19541
191: ok 19542
191: ok 19543
191: ok 19544
191: ok 19545
191: ok 19546
191: ok 19547
191: ok 19548
191: ok 19549
191: ok 19550
191: ok 19551
191: ok 19552
191: ok 19553
191: ok 19554
191: ok 19555
191: ok 19556
191: ok 19557
191: ok 19558
191: ok 19559
191: ok 19560
191: ok 19561
191: ok 19562
191: ok 19563
191: ok 19564
191: ok 19565
191: ok 19566
191: ok 19567
191: ok 19568
191: ok 19569
191: ok 19570
191: ok 19571
191: ok 19572
191: ok 19573
191: ok 19574
191: ok 19575
191: ok 19576
191: ok 19577
191: ok 19578
191: ok 19579
191: ok 19580
191: ok 19581
191: ok 19582
191: ok 19583
191: ok 19584
191: ok 19585
191: ok 19586
191: ok 19587
191: ok 19588
191: ok 19589
191: ok 19590
191: ok 19591
191: ok 19592
191: ok 19593
191: ok 19594
191: ok 19595
191: ok 19596
191: ok 19597
191: ok 19598
191: ok 19599
191: ok 19600
191: ok 19601
191: ok 19602
191: ok 19603
191: ok 19604
191: ok 19605
191: ok 19606
191: ok 19607
191: ok 19608
191: ok 19609
191: ok 19610
191: ok 19611
191: ok 19612
191: ok 19613
191: ok 19614
191: ok 19615
191: ok 19616
191: ok 19617
191: ok 19618
191: ok 19619
191: ok 19620
191: ok 19621
191: ok 19622
191: ok 19623
191: ok 19624
191: ok 19625
191: ok 19626
191: ok 19627
191: ok 19628
191: ok 19629
191: ok 19630
191: ok 19631
191: ok 19632
191: ok 19633
191: ok 19634
191: ok 19635
191: ok 19636
191: ok 19637
191: ok 19638
191: ok 19639
191: ok 19640
191: ok 19641
191: ok 19642
191: ok 19643
191: ok 19644
191: ok 19645
191: ok 19646
191: ok 19647
191: ok 19648
191: ok 19649
191: ok 19650
191: ok 19651
191: ok 19652
191: ok 19653
191: ok 19654
191: ok 19655
191: ok 19656
191: ok 19657
191: ok 19658
191: ok 19659
191: ok 19660
191: ok 19661
191: ok 19662
191: ok 19663
191: ok 19664
191: ok 19665
191: ok 19666
191: ok 19667
191: ok 19668
191: ok 19669
191: ok 19670
191: ok 19671
191: ok 19672
191: ok 19673
191: ok 19674
191: ok 19675
191: ok 19676
191: ok 19677
191: ok 19678
191: ok 19679
191: ok 19680
191: ok 19681
191: ok 19682
191: ok 19683
191: ok 19684
191: ok 19685
191: ok 19686
191: ok 19687
191: ok 19688
191: ok 19689
191: ok 19690
191: ok 19691
191: ok 19692
191: ok 19693
191: ok 19694
191: ok 19695
191: ok 19696
191: ok 19697
191: ok 19698
191: ok 19699
191: ok 19700
191: ok 19701
191: ok 19702
191: ok 19703
191: ok 19704
191: ok 19705
191: ok 19706
191: ok 19707
191: ok 19708
191: ok 19709
191: ok 19710
191: ok 19711
191: ok 19712
191: ok 19713
191: ok 19714
191: ok 19715
191: ok 19716
191: ok 19717
191: ok 19718
191: ok 19719
191: ok 19720
191: ok 19721
191: ok 19722
191: ok 19723
191: ok 19724
191: ok 19725
191: ok 19726
191: ok 19727
191: ok 19728
191: ok 19729
191: ok 19730
191: ok 19731
191: ok 19732
191: ok 19733
191: ok 19734
191: ok 19735
191: ok 19736
191: ok 19737
191: ok 19738
191: ok 19739
191: ok 19740
191: ok 19741
191: ok 19742
191: ok 19743
191: ok 19744
191: ok 19745
191: ok 19746
191: ok 19747
191: ok 19748
191: ok 19749
191: ok 19750
191: ok 19751
191: ok 19752
191: ok 19753
191: ok 19754
191: ok 19755
191: ok 19756
191: ok 19757
191: ok 19758
191: ok 19759
191: ok 19760
191: ok 19761
191: ok 19762
191: ok 19763
191: ok 19764
191: ok 19765
191: ok 19766
191: ok 19767
191: ok 19768
191: ok 19769
191: ok 19770
191: ok 19771
191: ok 19772
191: ok 19773
191: ok 19774
191: ok 19775
191: ok 19776
191: ok 19777
191: ok 19778
191: ok 19779
191: ok 19780
191: ok 19781
191: ok 19782
191: ok 19783
191: ok 19784
191: ok 19785
191: ok 19786
191: ok 19787
191: ok 19788
191: ok 19789
191: ok 19790
191: ok 19791
191: ok 19792
191: ok 19793
191: ok 19794
191: ok 19795
191: ok 19796
191: ok 19797
191: ok 19798
191: ok 19799
191: ok 19800
191: ok 19801
191: ok 19802
191: ok 19803
191: ok 19804
191: ok 19805
191: ok 19806
191: ok 19807
191: ok 19808
191: ok 19809
191: ok 19810
191: ok 19811
191: ok 19812
191: ok 19813
191: ok 19814
191: ok 19815
191: ok 19816
191: ok 19817
191: ok 19818
191: ok 19819
191: ok 19820
191: ok 19821
191: ok 19822
191: ok 19823
191: ok 19824
191: ok 19825
191: ok 19826
191: ok 19827
191: ok 19828
191: ok 19829
191: ok 19830
191: ok 19831
191: ok 19832
191: ok 19833
191: ok 19834
191: ok 19835
191: ok 19836
191: ok 19837
191: ok 19838
191: ok 19839
191: ok 19840
191: ok 19841
191: ok 19842
191: ok 19843
191: ok 19844
191: ok 19845
191: ok 19846
191: ok 19847
191: ok 19848
191: ok 19849
191: ok 19850
191: ok 19851
191: ok 19852
191: ok 19853
191: ok 19854
191: ok 19855
191: ok 19856
191: ok 19857
191: ok 19858
191: ok 19859
191: ok 19860
191: ok 19861
191: ok 19862
191: ok 19863
191: ok 19864
191: ok 19865
191: ok 19866
191: ok 19867
191: ok 19868
191: ok 19869
191: ok 19870
191: ok 19871
191: ok 19872
191: ok 19873
191: ok 19874
191: ok 19875
191: ok 19876
191: ok 19877
191: ok 19878
191: ok 19879
191: ok 19880
191: ok 19881
191: ok 19882
191: ok 19883
191: ok 19884
191: ok 19885
191: ok 19886
191: ok 19887
191: ok 19888
191: ok 19889
191: ok 19890
191: ok 19891
191: ok 19892
191: ok 19893
191: ok 19894
191: ok 19895
191: ok 19896
191: ok 19897
191: ok 19898
191: ok 19899
191: ok 19900
191: ok 19901
191: ok 19902
191: ok 19903
191: ok 19904
191: ok 19905
191: ok 19906
191: ok 19907
191: ok 19908
191: ok 19909
191: ok 19910
191: ok 19911
191: ok 19912
191: ok 19913
191: ok 19914
191: ok 19915
191: ok 19916
191: ok 19917
191: ok 19918
191: ok 19919
191: ok 19920
191: ok 19921
191: ok 19922
191: ok 19923
191: ok 19924
191: ok 19925
191: ok 19926
191: ok 19927
191: ok 19928
191: ok 19929
191: ok 19930
191: ok 19931
191: ok 19932
191: ok 19933
191: ok 19934
191: ok 19935
191: ok 19936
191: ok 19937
191: ok 19938
191: ok 19939
191: ok 19940
191: ok 19941
191: ok 19942
191: ok 19943
191: ok 19944
191: ok 19945
191: ok 19946
191: ok 19947
191: ok 19948
191: ok 19949
191: ok 19950
191: ok 19951
191: ok 19952
191: ok 19953
191: ok 19954
191: ok 19955
191: ok 19956
191: ok 19957
191: ok 19958
191: ok 19959
191: ok 19960
191: ok 19961
191: ok 19962
191: ok 19963
191: ok 19964
191: ok 19965
191: ok 19966
191: ok 19967
191: ok 19968
191: ok 19969
191: ok 19970
191: ok 19971
191: ok 19972
191: ok 19973
191: ok 19974
191: ok 19975
191: ok 19976
191: ok 19977
191: ok 19978
191: ok 19979
191: ok 19980
191: ok 19981
191: ok 19982
191: ok 19983
191: ok 19984
191: ok 19985
191: ok 19986
191: ok 19987
191: ok 19988
191: ok 19989
191: ok 19990
191: ok 19991
191: ok 19992
191: ok 19993
191: ok 19994
191: ok 19995
191: ok 19996
191: ok 19997
191: ok 19998
191: ok 19999
191: ok 20000
191: ok 20001
191: ok 20002
191: ok 20003
191: ok 20004
191: ok 20005
191: ok 20006
191: ok 20007
191: ok 20008
191: ok 20009
191: ok 20010
191: ok 20011
191: ok 20012
191: ok 20013
191: ok 20014
191: ok 20015
191: ok 20016
191: ok 20017
191: ok 20018
191: ok 20019
191: ok 20020
191: ok 20021
191: ok 20022
191: ok 20023
191: ok 20024
191: ok 20025
191: ok 20026
191: ok 20027
191: ok 20028
191: ok 20029
191: ok 20030
191: ok 20031
191: ok 20032
191: ok 20033
191: ok 20034
191: ok 20035
191: ok 20036
191: ok 20037
191: ok 20038
191: ok 20039
191: ok 20040
191: ok 20041
191: ok 20042
191: ok 20043
191: ok 20044
191: ok 20045
191: ok 20046
191: ok 20047
191: ok 20048
191: ok 20049
191: ok 20050
191: ok 20051
191: ok 20052
191: ok 20053
191: ok 20054
191: ok 20055
191: ok 20056
191: ok 20057
191: ok 20058
191: ok 20059
191: ok 20060
191: ok 20061
191: ok 20062
191: ok 20063
191: ok 20064
191: ok 20065
191: ok 20066
191: ok 20067
191: ok 20068
191: ok 20069
191: ok 20070
191: ok 20071
191: ok 20072
191: ok 20073
191: ok 20074
191: ok 20075
191: ok 20076
191: ok 20077
191: ok 20078
191: ok 20079
191: ok 20080
191: ok 20081
191: ok 20082
191: ok 20083
191: ok 20084
191: ok 20085
191: ok 20086
191: ok 20087
191: ok 20088
191: ok 20089
191: ok 20090
191: ok 20091
191: ok 20092
191: ok 20093
191: ok 20094
191: ok 20095
191: ok 20096
191: ok 20097
191: ok 20098
191: ok 20099
191: ok 20100
191: ok 20101
191: ok 20102
191: ok 20103
191: ok 20104
191: ok 20105
191: ok 20106
191: ok 20107
191: ok 20108
191: ok 20109
191: ok 20110
191: ok 20111
191: ok 20112
191: ok 20113
191: ok 20114
191: ok 20115
191: ok 20116
191: ok 20117
191: ok 20118
191: ok 20119
191: ok 20120
191: ok 20121
191: ok 20122
191: ok 20123
191: ok 20124
191: ok 20125
191: ok 20126
191: ok 20127
191: ok 20128
191: ok 20129
191: ok 20130
191: ok 20131
191: ok 20132
191: ok 20133
191: ok 20134
191: ok 20135
191: ok 20136
191: ok 20137
191: ok 20138
191: ok 20139
191: ok 20140
191: ok 20141
191: ok 20142
191: ok 20143
191: ok 20144
191: ok 20145
191: ok 20146
191: ok 20147
191: ok 20148
191: ok 20149
191: ok 20150
191: ok 20151
191: ok 20152
191: ok 20153
191: ok 20154
191: ok 20155
191: ok 20156
191: ok 20157
191: ok 20158
191: ok 20159
191: ok 20160
191: ok 20161
191: ok 20162
191: ok 20163
191: ok 20164
191: ok 20165
191: ok 20166
191: ok 20167
191: ok 20168
191: ok 20169
191: ok 20170
191: ok 20171
191: ok 20172
191: ok 20173
191: ok 20174
191: ok 20175
191: ok 20176
191: ok 20177
191: ok 20178
191: ok 20179
191: ok 20180
191: ok 20181
191: ok 20182
191: ok 20183
191: ok 20184
191: ok 20185
191: ok 20186
191: ok 20187
191: ok 20188
191: ok 20189
191: ok 20190
191: ok 20191
191: ok 20192
191: ok 20193
191: ok 20194
191: ok 20195
191: ok 20196
191: ok 20197
191: ok 20198
191: ok 20199
191: ok 20200
191: ok 20201
191: ok 20202
191: ok 20203
191: ok 20204
191: ok 20205
191: ok 20206
191: ok 20207
191: ok 20208
191: ok 20209
191: ok 20210
191: ok 20211
191: ok 20212
191: ok 20213
191: ok 20214
191: ok 20215
191: ok 20216
191: ok 20217
191: ok 20218
191: ok 20219
191: ok 20220
191: ok 20221
191: ok 20222
191: ok 20223
191: ok 20224
191: ok 20225
191: ok 20226
191: ok 20227
191: ok 20228
191: ok 20229
191: ok 20230
191: ok 20231
191: ok 20232
191: ok 20233
191: ok 20234
191: ok 20235
191: ok 20236
191: ok 20237
191: ok 20238
191: ok 20239
191: ok 20240
191: ok 20241
191: ok 20242
191: ok 20243
191: ok 20244
191: ok 20245
191: ok 20246
191: ok 20247
191: ok 20248
191: ok 20249
191: ok 20250
191: ok 20251
191: ok 20252
191: ok 20253
191: ok 20254
191: ok 20255
191: ok 20256
191: ok 20257
191: ok 20258
191: ok 20259
191: ok 20260
191: ok 20261
191: ok 20262
191: ok 20263
191: ok 20264
191: ok 20265
191: ok 20266
191: ok 20267
191: ok 20268
191: ok 20269
191: ok 20270
191: ok 20271
191: ok 20272
191: ok 20273
191: ok 20274
191: ok 20275
191: ok 20276
191: ok 20277
191: ok 20278
191: ok 20279
191: ok 20280
191: ok 20281
191: ok 20282
191: ok 20283
191: ok 20284
191: ok 20285
191: ok 20286
191: ok 20287
191: ok 20288
191: ok 20289
191: ok 20290
191: ok 20291
191: ok 20292
191: ok 20293
191: ok 20294
191: ok 20295
191: ok 20296
191: ok 20297
191: ok 20298
191: ok 20299
191: ok 20300
191: ok 20301
191: ok 20302
191: ok 20303
191: ok 20304
191: ok 20305
191: ok 20306
191: ok 20307
191: ok 20308
191: ok 20309
191: ok 20310
191: ok 20311
191: ok 20312
191: ok 20313
191: ok 20314
191: ok 20315
191: ok 20316
191: ok 20317
191: ok 20318
191: ok 20319
191: ok 20320
191: ok 20321
191: ok 20322
191: ok 20323
191: ok 20324
191: ok 20325
191: ok 20326
191: ok 20327
191: ok 20328
191: ok 20329
191: ok 20330
191: ok 20331
191: ok 20332
191: ok 20333
191: ok 20334
191: ok 20335
191: ok 20336
191: ok 20337
191: ok 20338
191: ok 20339
191: ok 20340
191: ok 20341
191: ok 20342
191: ok 20343
191: ok 20344
191: ok 20345
191: ok 20346
191: ok 20347
191: ok 20348
191: ok 20349
191: ok 20350
191: ok 20351
191: ok 20352
191: ok 20353
191: ok 20354
191: ok 20355
191: ok 20356
191: ok 20357
191: ok 20358
191: ok 20359
191: ok 20360
191: ok 20361
191: ok 20362
191: ok 20363
191: ok 20364
191: ok 20365
191: ok 20366
191: ok 20367
191: ok 20368
191: ok 20369
191: ok 20370
191: ok 20371
191: ok 20372
191: ok 20373
191: ok 20374
191: ok 20375
191: ok 20376
191: ok 20377
191: ok 20378
191: ok 20379
191: ok 20380
191: ok 20381
191: ok 20382
191: ok 20383
191: ok 20384
191: ok 20385
191: ok 20386
191: ok 20387
191: ok 20388
191: ok 20389
191: ok 20390
191: ok 20391
191: ok 20392
191: ok 20393
191: ok 20394
191: ok 20395
191: ok 20396
191: ok 20397
191: ok 20398
191: ok 20399
191: ok 20400
191: ok 20401
191: ok 20402
191: ok 20403
191: ok 20404
191: ok 20405
191: ok 20406
191: ok 20407
191: ok 20408
191: ok 20409
191: ok 20410
191: ok 20411
191: ok 20412
191: ok 20413
191: ok 20414
191: ok 20415
191: ok 20416
191: ok 20417
191: ok 20418
191: ok 20419
191: ok 20420
191: ok 20421
191: ok 20422
191: ok 20423
191: ok 20424
191: ok 20425
191: ok 20426
191: ok 20427
191: ok 20428
191: ok 20429
191: ok 20430
191: ok 20431
191: ok 20432
191: ok 20433
191: ok 20434
191: ok 20435
191: ok 20436
191: ok 20437
191: ok 20438
191: ok 20439
191: ok 20440
191: ok 20441
191: ok 20442
191: ok 20443
191: ok 20444
191: ok 20445
191: ok 20446
191: ok 20447
191: ok 20448
191: ok 20449
191: ok 20450
191: ok 20451
191: ok 20452
191: ok 20453
191: ok 20454
191: ok 20455
191: ok 20456
191: ok 20457
191: ok 20458
191: ok 20459
191: ok 20460
191: ok 20461
191: ok 20462
191: ok 20463
191: ok 20464
191: ok 20465
191: ok 20466
191: ok 20467
191: ok 20468
191: ok 20469
191: ok 20470
191: ok 20471
191: ok 20472
191: ok 20473
191: ok 20474
191: ok 20475
191: ok 20476
191: ok 20477
191: ok 20478
191: ok 20479
191: ok 20480
191: ok 20481
191: ok 20482
191: ok 20483
191: ok 20484
191: ok 20485
191: ok 20486
191: ok 20487
191: ok 20488
191: ok 20489
191: ok 20490
191: ok 20491
191: ok 20492
191: ok 20493
191: ok 20494
191: ok 20495
191: ok 20496
191: ok 20497
191: ok 20498
191: ok 20499
191: ok 20500
191: ok 20501
191: ok 20502
191: ok 20503
191: ok 20504
191: ok 20505
191: ok 20506
191: ok 20507
191: ok 20508
191: ok 20509
191: ok 20510
191: ok 20511
191: ok 20512
191: ok 20513
191: ok 20514
191: ok 20515
191: ok 20516
191: ok 20517
191: ok 20518
191: ok 20519
191: ok 20520
191: ok 20521
191: ok 20522
191: ok 20523
191: ok 20524
191: ok 20525
191: ok 20526
191: ok 20527
191: ok 20528
191: ok 20529
191: ok 20530
191: ok 20531
191: ok 20532
191: ok 20533
191: ok 20534
191: ok 20535
191: ok 20536
191: ok 20537
191: ok 20538
191: ok 20539
191: ok 20540
191: ok 20541
191: ok 20542
191: ok 20543
191: ok 20544
191: ok 20545
191: ok 20546
191: ok 20547
191: ok 20548
191: ok 20549
191: ok 20550
191: ok 20551
191: ok 20552
191: ok 20553
191: ok 20554
191: ok 20555
191: ok 20556
191: ok 20557
191: ok 20558
191: ok 20559
191: ok 20560
191: ok 20561
191: ok 20562
191: ok 20563
191: ok 20564
191: ok 20565
191: ok 20566
191: ok 20567
191: ok 20568
191: ok 20569
191: ok 20570
191: ok 20571
191: ok 20572
191: ok 20573
191: ok 20574
191: ok 20575
191: ok 20576
191: ok 20577
191: ok 20578
191: ok 20579
191: ok 20580
191: ok 20581
191: ok 20582
191: ok 20583
191: ok 20584
191: ok 20585
191: ok 20586
191: ok 20587
191: ok 20588
191: ok 20589
191: ok 20590
191: ok 20591
191: ok 20592
191: ok 20593
191: ok 20594
191: ok 20595
191: ok 20596
191: ok 20597
191: ok 20598
191: ok 20599
191: ok 20600
191: ok 20601
191: ok 20602
191: ok 20603
191: ok 20604
191: ok 20605
191: ok 20606
191: ok 20607
191: ok 20608
191: ok 20609
191: ok 20610
191: ok 20611
191: ok 20612
191: ok 20613
191: ok 20614
191: ok 20615
191: ok 20616
191: ok 20617
191: ok 20618
191: ok 20619
191: ok 20620
191: ok 20621
191: ok 20622
191: ok 20623
191: ok 20624
191: ok 20625
191: ok 20626
191: ok 20627
191: ok 20628
191: ok 20629
191: ok 20630
191: ok 20631
191: ok 20632
191: ok 20633
191: ok 20634
191: ok 20635
191: ok 20636
191: ok 20637
191: ok 20638
191: ok 20639
191: ok 20640
191: ok 20641
191: ok 20642
191: ok 20643
191: ok 20644
191: ok 20645
191: ok 20646
191: ok 20647
191: ok 20648
191: ok 20649
191: ok 20650
191: ok 20651
191: ok 20652
191: ok 20653
191: ok 20654
191: ok 20655
191: ok 20656
191: ok 20657
191: ok 20658
191: ok 20659
191: ok 20660
191: ok 20661
191: ok 20662
191: ok 20663
191: ok 20664
191: ok 20665
191: ok 20666
191: ok 20667
191: ok 20668
191: ok 20669
191: ok 20670
191: ok 20671
191: ok 20672
191: ok 20673
191: ok 20674
191: ok 20675
191: ok 20676
191: ok 20677
191: ok 20678
191: ok 20679
191: ok 20680
191: ok 20681
191: ok 20682
191: ok 20683
191: ok 20684
191: ok 20685
191: ok 20686
191: ok 20687
191: ok 20688
191: ok 20689
191: ok 20690
191: ok 20691
191: ok 20692
191: ok 20693
191: ok 20694
191: ok 20695
191: ok 20696
191: ok 20697
191: ok 20698
191: ok 20699
191: ok 20700
191: ok 20701
191: ok 20702
191: ok 20703
191: ok 20704
191: ok 20705
191: ok 20706
191: ok 20707
191: ok 20708
191: ok 20709
191: ok 20710
191: ok 20711
191: ok 20712
191: ok 20713
191: ok 20714
191: ok 20715
191: ok 20716
191: ok 20717
191: ok 20718
191: ok 20719
191: ok 20720
191: ok 20721
191: ok 20722
191: ok 20723
191: ok 20724
191: ok 20725
191: ok 20726
191: ok 20727
191: ok 20728
191: ok 20729
191: ok 20730
191: ok 20731
191: ok 20732
191: ok 20733
191: ok 20734
191: ok 20735
191: ok 20736
191: ok 20737
191: ok 20738
191: ok 20739
191: ok 20740
191: ok 20741
191: ok 20742
191: ok 20743
191: ok 20744
191: ok 20745
191: ok 20746
191: ok 20747
191: ok 20748
191: ok 20749
191: ok 20750
191: ok 20751
191: ok 20752
191: ok 20753
191: ok 20754
191: ok 20755
191: ok 20756
191: ok 20757
191: ok 20758
191: ok 20759
191: ok 20760
191: ok 20761
191: ok 20762
191: ok 20763
191: ok 20764
191: ok 20765
191: ok 20766
191: ok 20767
191: ok 20768
191: ok 20769
191: ok 20770
191: ok 20771
191: ok 20772
191: ok 20773
191: ok 20774
191: ok 20775
191: ok 20776
191: ok 20777
191: ok 20778
191: ok 20779
191: ok 20780
191: ok 20781
191: ok 20782
191: ok 20783
191: ok 20784
191: ok 20785
191: ok 20786
191: ok 20787
191: ok 20788
191: ok 20789
191: ok 20790
191: ok 20791
191: ok 20792
191: ok 20793
191: ok 20794
191: ok 20795
191: ok 20796
191: ok 20797
191: ok 20798
191: ok 20799
191: ok 20800
191: ok 20801
191: ok 20802
191: ok 20803
191: ok 20804
191: ok 20805
191: ok 20806
191: ok 20807
191: ok 20808
191: ok 20809
191: ok 20810
191: ok 20811
191: ok 20812
191: ok 20813
191: ok 20814
191: ok 20815
191: ok 20816
191: ok 20817
191: ok 20818
191: ok 20819
191: ok 20820
191: ok 20821
191: ok 20822
191: ok 20823
191: ok 20824
191: ok 20825
191: ok 20826
191: ok 20827
191: ok 20828
191: ok 20829
191: ok 20830
191: ok 20831
191: ok 20832
191: ok 20833
191: ok 20834
191: ok 20835
191: ok 20836
191: ok 20837
191: ok 20838
191: ok 20839
191: ok 20840
191: ok 20841
191: ok 20842
191: ok 20843
191: ok 20844
191: ok 20845
191: ok 20846
191: ok 20847
191: ok 20848
191: ok 20849
191: ok 20850
191: ok 20851
191: ok 20852
191: ok 20853
191: ok 20854
191: ok 20855
191: ok 20856
191: ok 20857
191: ok 20858
191: ok 20859
191: ok 20860
191: ok 20861
191: ok 20862
191: ok 20863
191: ok 20864
191: ok 20865
191: ok 20866
191: ok 20867
191: ok 20868
191: ok 20869
191: ok 20870
191: ok 20871
191: ok 20872
191: ok 20873
191: ok 20874
191: ok 20875
191: ok 20876
191: ok 20877
191: ok 20878
191: ok 20879
191: ok 20880
191: ok 20881
191: ok 20882
191: ok 20883
191: ok 20884
191: ok 20885
191: ok 20886
191: ok 20887
191: ok 20888
191: ok 20889
191: ok 20890
191: ok 20891
191: ok 20892
191: ok 20893
191: ok 20894
191: ok 20895
191: ok 20896
191: ok 20897
191: ok 20898
191: ok 20899
191: ok 20900
191: ok 20901
191: ok 20902
191: ok 20903
191: ok 20904
191: ok 20905
191: ok 20906
191: ok 20907
191: ok 20908
191: ok 20909
191: ok 20910
191: ok 20911
191: ok 20912
191: ok 20913
191: ok 20914
191: ok 20915
191: ok 20916
191: ok 20917
191: ok 20918
191: ok 20919
191: ok 20920
191: ok 20921
191: ok 20922
191: ok 20923
191: ok 20924
191: ok 20925
191: ok 20926
191: ok 20927
191: ok 20928
191: ok 20929
191: ok 20930
191: ok 20931
191: ok 20932
191: ok 20933
191: ok 20934
191: ok 20935
191: ok 20936
191: ok 20937
191: ok 20938
191: ok 20939
191: ok 20940
191: ok 20941
191: ok 20942
191: ok 20943
191: ok 20944
191: ok 20945
191: ok 20946
191: ok 20947
191: ok 20948
191: ok 20949
191: ok 20950
191: ok 20951
191: ok 20952
191: ok 20953
191: ok 20954
191: ok 20955
191: ok 20956
191: ok 20957
191: ok 20958
191: ok 20959
191: ok 20960
191: ok 20961
191: ok 20962
191: ok 20963
191: ok 20964
191: ok 20965
191: ok 20966
191: ok 20967
191: ok 20968
191: ok 20969
191: ok 20970
191: ok 20971
191: ok 20972
191: ok 20973
191: ok 20974
191: ok 20975
191: ok 20976
191: ok 20977
191: ok 20978
191: ok 20979
191: ok 20980
191: ok 20981
191: ok 20982
191: ok 20983
191: ok 20984
191: ok 20985
191: ok 20986
191: ok 20987
191: ok 20988
191: ok 20989
191: ok 20990
191: ok 20991
191: ok 20992
191: ok 20993
191: ok 20994
191: ok 20995
191: ok 20996
191: ok 20997
191: ok 20998
191: ok 20999
191: ok 21000
191: ok 21001
191: ok 21002
191: ok 21003
191: ok 21004
191: ok 21005
191: ok 21006
191: ok 21007
191: ok 21008
191: ok 21009
191: ok 21010
191: ok 21011
191: ok 21012
191: ok 21013
191: ok 21014
191: ok 21015
191: ok 21016
191: ok 21017
191: ok 21018
191: ok 21019
191: ok 21020
191: ok 21021
191: ok 21022
191: ok 21023
191: ok 21024
191: ok 21025
191: ok 21026
191: ok 21027
191: ok 21028
191: ok 21029
191: ok 21030
191: ok 21031
191: ok 21032
191: ok 21033
191: ok 21034
191: ok 21035
191: ok 21036
191: ok 21037
191: ok 21038
191: ok 21039
191: ok 21040
191: ok 21041
191: ok 21042
191: ok 21043
191: ok 21044
191: ok 21045
191: ok 21046
191: ok 21047
191: ok 21048
191: ok 21049
191: ok 21050
191: ok 21051
191: ok 21052
191: ok 21053
191: ok 21054
191: ok 21055
191: ok 21056
191: ok 21057
191: ok 21058
191: ok 21059
191: ok 21060
191: ok 21061
191: ok 21062
191: ok 21063
191: ok 21064
191: ok 21065
191: ok 21066
191: ok 21067
191: ok 21068
191: ok 21069
191: ok 21070
191: ok 21071
191: ok 21072
191: ok 21073
191: ok 21074
191: ok 21075
191: ok 21076
191: ok 21077
191: ok 21078
191: ok 21079
191: ok 21080
191: ok 21081
191: ok 21082
191: ok 21083
191: ok 21084
191: ok 21085
191: ok 21086
191: ok 21087
191: ok 21088
191: ok 21089
191: ok 21090
191: ok 21091
191: ok 21092
191: ok 21093
191: ok 21094
191: ok 21095
191: ok 21096
191: ok 21097
191: ok 21098
191: ok 21099
191: ok 21100
191: ok 21101
191: ok 21102
191: ok 21103
191: ok 21104
191: ok 21105
191: ok 21106
191: ok 21107
191: ok 21108
191: ok 21109
191: ok 21110
191: ok 21111
191: ok 21112
191: ok 21113
191: ok 21114
191: ok 21115
191: ok 21116
191: ok 21117
191: ok 21118
191: ok 21119
191: ok 21120
191: ok 21121
191: ok 21122
191: ok 21123
191: ok 21124
191: ok 21125
191: ok 21126
191: ok 21127
191: ok 21128
191: ok 21129
191: ok 21130
191: ok 21131
191: ok 21132
191: ok 21133
191: ok 21134
191: ok 21135
191: ok 21136
191: ok 21137
191: ok 21138
191: ok 21139
191: ok 21140
191: ok 21141
191: ok 21142
191: ok 21143
191: ok 21144
191: ok 21145
191: ok 21146
191: ok 21147
191: ok 21148
191: ok 21149
191: ok 21150
191: ok 21151
191: ok 21152
191: ok 21153
191: ok 21154
191: ok 21155
191: ok 21156
191: ok 21157
191: ok 21158
191: ok 21159
191: ok 21160
191: ok 21161
191: ok 21162
191: ok 21163
191: ok 21164
191: ok 21165
191: ok 21166
191: ok 21167
191: ok 21168
191: ok 21169
191: ok 21170
191: ok 21171
191: ok 21172
191: ok 21173
191: ok 21174
191: ok 21175
191: ok 21176
191: ok 21177
191: ok 21178
191: ok 21179
191: ok 21180
191: ok 21181
191: ok 21182
191: ok 21183
191: ok 21184
191: ok 21185
191: ok 21186
191: ok 21187
191: ok 21188
191: ok 21189
191: ok 21190
191: ok 21191
191: ok 21192
191: ok 21193
191: ok 21194
191: ok 21195
191: ok 21196
191: ok 21197
191: ok 21198
191: ok 21199
191: ok 21200
191: ok 21201
191: ok 21202
191: ok 21203
191: ok 21204
191: ok 21205
191: ok 21206
191: ok 21207
191: ok 21208
191: ok 21209
191: ok 21210
191: ok 21211
191: ok 21212
191: ok 21213
191: ok 21214
191: ok 21215
191: ok 21216
191: ok 21217
191: ok 21218
191: ok 21219
191: ok 21220
191: ok 21221
191: ok 21222
191: ok 21223
191: ok 21224
191: ok 21225
191: ok 21226
191: ok 21227
191: ok 21228
191: ok 21229
191: ok 21230
191: ok 21231
191: ok 21232
191: ok 21233
191: ok 21234
191: ok 21235
191: ok 21236
191: ok 21237
191: ok 21238
191: ok 21239
191: ok 21240
191: ok 21241
191: ok 21242
191: ok 21243
191: ok 21244
191: ok 21245
191: ok 21246
191: ok 21247
191: ok 21248
191: ok 21249
191: ok 21250
191: ok 21251
191: ok 21252
191: ok 21253
191: ok 21254
191: ok 21255
191: ok 21256
191: ok 21257
191: ok 21258
191: ok 21259
191: ok 21260
191: ok 21261
191: ok 21262
191: ok 21263
191: ok 21264
191: ok 21265
191: ok 21266
191: ok 21267
191: ok 21268
191: ok 21269
191: ok 21270
191: ok 21271
191: ok 21272
191: ok 21273
191: ok 21274
191: ok 21275
191: ok 21276
191: ok 21277
191: ok 21278
191: ok 21279
191: ok 21280
191: ok 21281
191: ok 21282
191: ok 21283
191: ok 21284
191: ok 21285
191: ok 21286
191: ok 21287
191: ok 21288
191: ok 21289
191: ok 21290
191: ok 21291
191: ok 21292
191: ok 21293
191: ok 21294
191: ok 21295
191: ok 21296
191: ok 21297
191: ok 21298
191: ok 21299
191: ok 21300
191: ok 21301
191: ok 21302
191: ok 21303
191: ok 21304
191: ok 21305
191: ok 21306
191: ok 21307
191: ok 21308
191: ok 21309
191: ok 21310
191: ok 21311
191: ok 21312
191: ok 21313
191: ok 21314
191: ok 21315
191: ok 21316
191: ok 21317
191: ok 21318
191: ok 21319
191: ok 21320
191: ok 21321
191: ok 21322
191: ok 21323
191: ok 21324
191: ok 21325
191: ok 21326
191: ok 21327
191: ok 21328
191: ok 21329
191: ok 21330
191: ok 21331
191: ok 21332
191: ok 21333
191: ok 21334
191: ok 21335
191: ok 21336
191: ok 21337
191: ok 21338
191: ok 21339
191: ok 21340
191: ok 21341
191: ok 21342
191: ok 21343
191: ok 21344
191: ok 21345
191: ok 21346
191: ok 21347
191: ok 21348
191: ok 21349
191: ok 21350
191: ok 21351
191: ok 21352
191: ok 21353
191: ok 21354
191: ok 21355
191: ok 21356
191: ok 21357
191: ok 21358
191: ok 21359
191: ok 21360
191: ok 21361
191: ok 21362
191: ok 21363
191: ok 21364
191: ok 21365
191: ok 21366
191: ok 21367
191: ok 21368
191: ok 21369
191: ok 21370
191: ok 21371
191: ok 21372
191: ok 21373
191: ok 21374
191: ok 21375
191: ok 21376
191: ok 21377
191: ok 21378
191: ok 21379
191: ok 21380
191: ok 21381
191: ok 21382
191: ok 21383
191: ok 21384
191: ok 21385
191: ok 21386
191: ok 21387
191: ok 21388
191: ok 21389
191: ok 21390
191: ok 21391
191: ok 21392
191: ok 21393
191: ok 21394
191: ok 21395
191: ok 21396
191: ok 21397
191: ok 21398
191: ok 21399
191: ok 21400
191: ok 21401
191: ok 21402
191: ok 21403
191: ok 21404
191: ok 21405
191: ok 21406
191: ok 21407
191: ok 21408
191: ok 21409
191: ok 21410
191: ok 21411
191: ok 21412
191: ok 21413
191: ok 21414
191: ok 21415
191: ok 21416
191: ok 21417
191: ok 21418
191: ok 21419
191: ok 21420
191: ok 21421
191: ok 21422
191: ok 21423
191: ok 21424
191: ok 21425
191: ok 21426
191: ok 21427
191: ok 21428
191: ok 21429
191: ok 21430
191: ok 21431
191: ok 21432
191: ok 21433
191: ok 21434
191: ok 21435
191: ok 21436
191: ok 21437
191: ok 21438
191: ok 21439
191: ok 21440
191: ok 21441
191: ok 21442
191: ok 21443
191: ok 21444
191: ok 21445
191: ok 21446
191: ok 21447
191: ok 21448
191: ok 21449
191: ok 21450
191: ok 21451
191: ok 21452
191: ok 21453
191: ok 21454
191: ok 21455
191: ok 21456
191: ok 21457
191: ok 21458
191: ok 21459
191: ok 21460
191: ok 21461
191: ok 21462
191: ok 21463
191: ok 21464
191: ok 21465
191: ok 21466
191: ok 21467
191: ok 21468
191: ok 21469
191: ok 21470
191: ok 21471
191: ok 21472
191: ok 21473
191: ok 21474
191: ok 21475
191: ok 21476
191: ok 21477
191: ok 21478
191: ok 21479
191: ok 21480
191: ok 21481
191: ok 21482
191: ok 21483
191: ok 21484
191: ok 21485
191: ok 21486
191: ok 21487
191: ok 21488
191: ok 21489
191: ok 21490
191: ok 21491
191: ok 21492
191: ok 21493
191: ok 21494
191: ok 21495
191: ok 21496
191: ok 21497
191: ok 21498
191: ok 21499
191: ok 21500
191: ok 21501
191: ok 21502
191: ok 21503
191: ok 21504
191: ok 21505
191: ok 21506
191: ok 21507
191: ok 21508
191: ok 21509
191: ok 21510
191: ok 21511
191: ok 21512
191: ok 21513
191: ok 21514
191: ok 21515
191: ok 21516
191: ok 21517
191: ok 21518
191: ok 21519
191: ok 21520
191: ok 21521
191: ok 21522
191: ok 21523
191: ok 21524
191: ok 21525
191: ok 21526
191: ok 21527
191: ok 21528
191: ok 21529
191: ok 21530
191: ok 21531
191: ok 21532
191: ok 21533
191: ok 21534
191: ok 21535
191: ok 21536
191: ok 21537
191: ok 21538
191: ok 21539
191: ok 21540
191: ok 21541
191: ok 21542
191: ok 21543
191: ok 21544
191: ok 21545
191: ok 21546
191: ok 21547
191: ok 21548
191: ok 21549
191: ok 21550
191: ok 21551
191: ok 21552
191: ok 21553
191: ok 21554
191: ok 21555
191: ok 21556
191: ok 21557
191: ok 21558
191: ok 21559
191: ok 21560
191: ok 21561
191: ok 21562
191: ok 21563
191: ok 21564
191: ok 21565
191: ok 21566
191: ok 21567
191: ok 21568
191: ok 21569
191: ok 21570
191: ok 21571
191: ok 21572
191: ok 21573
191: ok 21574
191: ok 21575
191: ok 21576
191: ok 21577
191: ok 21578
191: ok 21579
191: ok 21580
191: ok 21581
191: ok 21582
191: ok 21583
191: ok 21584
191: ok 21585
191: ok 21586
191: ok 21587
191: ok 21588
191: ok 21589
191: ok 21590
191: ok 21591
191: ok 21592
191: ok 21593
191: ok 21594
191: ok 21595
191: ok 21596
191: ok 21597
191: ok 21598
191: ok 21599
191: ok 21600
191: ok 21601
191: ok 21602
191: ok 21603
191: ok 21604
191: ok 21605
191: ok 21606
191: ok 21607
191: ok 21608
191: ok 21609
191: ok 21610
191: ok 21611
191: ok 21612
191: ok 21613
191: ok 21614
191: ok 21615
191: ok 21616
191: ok 21617
191: ok 21618
191: ok 21619
191: ok 21620
191: ok 21621
191: ok 21622
191: ok 21623
191: ok 21624
191: ok 21625
191: ok 21626
191: ok 21627
191: ok 21628
191: ok 21629
191: ok 21630
191: ok 21631
191: ok 21632
191: ok 21633
191: ok 21634
191: ok 21635
191: ok 21636
191: ok 21637
191: ok 21638
191: ok 21639
191: ok 21640
191: ok 21641
191: ok 21642
191: ok 21643
191: ok 21644
191: ok 21645
191: ok 21646
191: ok 21647
191: ok 21648
191: ok 21649
191: ok 21650
191: ok 21651
191: ok 21652
191: ok 21653
191: ok 21654
191: ok 21655
191: ok 21656
191: ok 21657
191: ok 21658
191: ok 21659
191: ok 21660
191: ok 21661
191: ok 21662
191: ok 21663
191: ok 21664
191: ok 21665
191: ok 21666
191: ok 21667
191: ok 21668
191: ok 21669
191: ok 21670
191: ok 21671
191: ok 21672
191: ok 21673
191: ok 21674
191: ok 21675
191: ok 21676
191: ok 21677
191: ok 21678
191: ok 21679
191: ok 21680
191: ok 21681
191: ok 21682
191: ok 21683
191: ok 21684
191: ok 21685
191: ok 21686
191: ok 21687
191: ok 21688
191: ok 21689
191: ok 21690
191: ok 21691
191: ok 21692
191: ok 21693
191: ok 21694
191: ok 21695
191: ok 21696
191: ok 21697
191: ok 21698
191: ok 21699
191: ok 21700
191: ok 21701
191: ok 21702
191: ok 21703
191: ok 21704
191: ok 21705
191: ok 21706
191: ok 21707
191: ok 21708
191: ok 21709
191: ok 21710
191: ok 21711
191: ok 21712
191: ok 21713
191: ok 21714
191: ok 21715
191: ok 21716
191: ok 21717
191: ok 21718
191: ok 21719
191: ok 21720
191: ok 21721
191: ok 21722
191: ok 21723
191: ok 21724
191: ok 21725
191: ok 21726
191: ok 21727
191: ok 21728
191: ok 21729
191: ok 21730
191: ok 21731
191: ok 21732
191: ok 21733
191: ok 21734
191: ok 21735
191: ok 21736
191: ok 21737
191: ok 21738
191: ok 21739
191: ok 21740
191: ok 21741
191: ok 21742
191: ok 21743
191: ok 21744
191: ok 21745
191: ok 21746
191: ok 21747
191: ok 21748
191: ok 21749
191: ok 21750
191: ok 21751
191: ok 21752
191: ok 21753
191: ok 21754
191: ok 21755
191: ok 21756
191: ok 21757
191: ok 21758
191: ok 21759
191: ok 21760
191: ok 21761
191: ok 21762
191: ok 21763
191: ok 21764
191: ok 21765
191: ok 21766
191: ok 21767
191: ok 21768
191: ok 21769
191: ok 21770
191: ok 21771
191: ok 21772
191: ok 21773
191: ok 21774
191: ok 21775
191: ok 21776
191: ok 21777
191: ok 21778
191: ok 21779
191: ok 21780
191: ok 21781
191: ok 21782
191: ok 21783
191: ok 21784
191: ok 21785
191: ok 21786
191: ok 21787
191: ok 21788
191: ok 21789
191: ok 21790
191: ok 21791
191: ok 21792
191: ok 21793
191: ok 21794
191: ok 21795
191: ok 21796
191: ok 21797
191: ok 21798
191: ok 21799
191: ok 21800
191: ok 21801
191: ok 21802
191: ok 21803
191: ok 21804
191: ok 21805
191: ok 21806
191: ok 21807
191: ok 21808
191: ok 21809
191: ok 21810
191: ok 21811
191: ok 21812
191: ok 21813
191: ok 21814
191: ok 21815
191: ok 21816
191: ok 21817
191: ok 21818
191: ok 21819
191: ok 21820
191: ok 21821
191: ok 21822
191: ok 21823
191: ok 21824
191: ok 21825
191: ok 21826
191: ok 21827
191: ok 21828
191: ok 21829
191: ok 21830
191: ok 21831
191: ok 21832
191: ok 21833
191: ok 21834
191: ok 21835
191: ok 21836
191: ok 21837
191: ok 21838
191: ok 21839
191: ok 21840
191: ok 21841
191: ok 21842
191: ok 21843
191: ok 21844
191: ok 21845
191: ok 21846
191: ok 21847
191: ok 21848
191: ok 21849
191: ok 21850
191: ok 21851
191: ok 21852
191: ok 21853
191: ok 21854
191: ok 21855
191: ok 21856
191: ok 21857
191: ok 21858
191: ok 21859
191: ok 21860
191: ok 21861
191: ok 21862
191: ok 21863
191: ok 21864
191: ok 21865
191: ok 21866
191: ok 21867
191: ok 21868
191: ok 21869
191: ok 21870
191: ok 21871
191: ok 21872
191: ok 21873
191: ok 21874
191: ok 21875
191: ok 21876
191: ok 21877
191: ok 21878
191: ok 21879
191: ok 21880
191: ok 21881
191: ok 21882
191: ok 21883
191: ok 21884
191: ok 21885
191: ok 21886
191: ok 21887
191: ok 21888
191: ok 21889
191: ok 21890
191: ok 21891
191: ok 21892
191: ok 21893
191: ok 21894
191: ok 21895
191: ok 21896
191: ok 21897
191: ok 21898
191: ok 21899
191: ok 21900
191: ok 21901
191: ok 21902
191: ok 21903
191: ok 21904
191: ok 21905
191: ok 21906
191: ok 21907
191: ok 21908
191: ok 21909
191: ok 21910
191: ok 21911
191: ok 21912
191: ok 21913
191: ok 21914
191: ok 21915
191: ok 21916
191: ok 21917
191: ok 21918
191: ok 21919
191: ok 21920
191: ok 21921
191: ok 21922
191: ok 21923
191: ok 21924
191: ok 21925
191: ok 21926
191: ok 21927
191: ok 21928
191: ok 21929
191: ok 21930
191: ok 21931
191: ok 21932
191: ok 21933
191: ok 21934
191: ok 21935
191: ok 21936
191: ok 21937
191: ok 21938
191: ok 21939
191: ok 21940
191: ok 21941
191: ok 21942
191: ok 21943
191: ok 21944
191: ok 21945
191: ok 21946
191: ok 21947
191: ok 21948
191: ok 21949
191: ok 21950
191: ok 21951
191: ok 21952
191: ok 21953
191: ok 21954
191: ok 21955
191: ok 21956
191: ok 21957
191: ok 21958
191: ok 21959
191: ok 21960
191: ok 21961
191: ok 21962
191: ok 21963
191: ok 21964
191: ok 21965
191: ok 21966
191: ok 21967
191: ok 21968
191: ok 21969
191: ok 21970
191: ok 21971
191: ok 21972
191: ok 21973
191: ok 21974
191: ok 21975
191: ok 21976
191: ok 21977
191: ok 21978
191: ok 21979
191: ok 21980
191: ok 21981
191: ok 21982
191: ok 21983
191: ok 21984
191: ok 21985
191: ok 21986
191: ok 21987
191: ok 21988
191: ok 21989
191: ok 21990
191: ok 21991
191: ok 21992
191: ok 21993
191: ok 21994
191: ok 21995
191: ok 21996
191: ok 21997
191: ok 21998
191: ok 21999
191: ok 22000
191: ok 22001
191: ok 22002
191: ok 22003
191: ok 22004
191: ok 22005
191: ok 22006
191: ok 22007
191: ok 22008
191: ok 22009
191: ok 22010
191: ok 22011
191: ok 22012
191: ok 22013
191: ok 22014
191: ok 22015
191: ok 22016
191: ok 22017
191: ok 22018
191: ok 22019
191: ok 22020
191: ok 22021
191: ok 22022
191: ok 22023
191: ok 22024
191: ok 22025
191: ok 22026
191: ok 22027
191: ok 22028
191: ok 22029
191: ok 22030
191: ok 22031
191: ok 22032
191: ok 22033
191: ok 22034
191: ok 22035
191: ok 22036
191: ok 22037
191: ok 22038
191: ok 22039
191: ok 22040
191: ok 22041
191: ok 22042
191: ok 22043
191: ok 22044
191: ok 22045
191: ok 22046
191: ok 22047
191: ok 22048
191: ok 22049
191: ok 22050
191: ok 22051
191: ok 22052
191: ok 22053
191: ok 22054
191: ok 22055
191: ok 22056
191: ok 22057
191: ok 22058
191: ok 22059
191: ok 22060
191: ok 22061
191: ok 22062
191: ok 22063
191: ok 22064
191: ok 22065
191: ok 22066
191: ok 22067
191: ok 22068
191: ok 22069
191: ok 22070
191: ok 22071
191: ok 22072
191: ok 22073
191: ok 22074
191: ok 22075
191: ok 22076
191: ok 22077
191: ok 22078
191: ok 22079
191: ok 22080
191: ok 22081
191: ok 22082
191: ok 22083
191: ok 22084
191: ok 22085
191: ok 22086
191: ok 22087
191: ok 22088
191: ok 22089
191: ok 22090
191: ok 22091
191: ok 22092
191: ok 22093
191: ok 22094
191: ok 22095
191: ok 22096
191: ok 22097
191: ok 22098
191: ok 22099
191: ok 22100
191: ok 22101
191: ok 22102
191: ok 22103
191: ok 22104
191: ok 22105
191: ok 22106
191: ok 22107
191: ok 22108
191: ok 22109
191: ok 22110
191: ok 22111
191: ok 22112
191: ok 22113
191: ok 22114
191: ok 22115
191: ok 22116
191: ok 22117
191: ok 22118
191: ok 22119
191: ok 22120
191: ok 22121
191: ok 22122
191: ok 22123
191: ok 22124
191: ok 22125
191: ok 22126
191: ok 22127
191: ok 22128
191: ok 22129
191: ok 22130
191: ok 22131
191: ok 22132
191: ok 22133
191: ok 22134
191: ok 22135
191: ok 22136
191: ok 22137
191: ok 22138
191: ok 22139
191: ok 22140
191: ok 22141
191: ok 22142
191: ok 22143
191: ok 22144
191: ok 22145
191: ok 22146
191: ok 22147
191: ok 22148
191: ok 22149
191: ok 22150
191: ok 22151
191: ok 22152
191: ok 22153
191: ok 22154
191: ok 22155
191: ok 22156
191: ok 22157
191: ok 22158
191: ok 22159
191: ok 22160
191: ok 22161
191: ok 22162
191: ok 22163
191: ok 22164
191: ok 22165
191: ok 22166
191: ok 22167
191: ok 22168
191: ok 22169
191: ok 22170
191: ok 22171
191: ok 22172
191: ok 22173
191: ok 22174
191: ok 22175
191: ok 22176
191: ok 22177
191: ok 22178
191: ok 22179
191: ok 22180
191: ok 22181
191: ok 22182
191: ok 22183
191: ok 22184
191: ok 22185
191: ok 22186
191: ok 22187
191: ok 22188
191: ok 22189
191: ok 22190
191: ok 22191
191: ok 22192
191: ok 22193
191: ok 22194
191: ok 22195
191: ok 22196
191: ok 22197
191: ok 22198
191: ok 22199
191: ok 22200
191: ok 22201
191: ok 22202
191: ok 22203
191: ok 22204
191: ok 22205
191: ok 22206
191: ok 22207
191: ok 22208
191: ok 22209
191: ok 22210
191: ok 22211
191: ok 22212
191: ok 22213
191: ok 22214
191: ok 22215
191: ok 22216
191: ok 22217
191: ok 22218
191: ok 22219
191: ok 22220
191: ok 22221
191: ok 22222
191: ok 22223
191: ok 22224
191: ok 22225
191: ok 22226
191: ok 22227
191: ok 22228
191: ok 22229
191: ok 22230
191: ok 22231
191: ok 22232
191: ok 22233
191: ok 22234
191: ok 22235
191: ok 22236
191: ok 22237
191: ok 22238
191: ok 22239
191: ok 22240
191: ok 22241
191: ok 22242
191: ok 22243
191: ok 22244
191: ok 22245
191: ok 22246
191: ok 22247
191: ok 22248
191: ok 22249
191: ok 22250
191: ok 22251
191: ok 22252
191: ok 22253
191: ok 22254
191: ok 22255
191: ok 22256
191: ok 22257
191: ok 22258
191: ok 22259
191: ok 22260
191: ok 22261
191: ok 22262
191: ok 22263
191: ok 22264
191: ok 22265
191: ok 22266
191: ok 22267
191: ok 22268
191: ok 22269
191: ok 22270
191: ok 22271
191: ok 22272
191: ok 22273
191: ok 22274
191: ok 22275
191: ok 22276
191: ok 22277
191: ok 22278
191: ok 22279
191: ok 22280
191: ok 22281
191: ok 22282
191: ok 22283
191: ok 22284
191: ok 22285
191: ok 22286
191: ok 22287
191: ok 22288
191: ok 22289
191: ok 22290
191: ok 22291
191: ok 22292
191: ok 22293
191: ok 22294
191: ok 22295
191: ok 22296
191: ok 22297
191: ok 22298
191: ok 22299
191: ok 22300
191: ok 22301
191: ok 22302
191: ok 22303
191: ok 22304
191: ok 22305
191: ok 22306
191: ok 22307
191: ok 22308
191: ok 22309
191: ok 22310
191: ok 22311
191: ok 22312
191: ok 22313
191: ok 22314
191: ok 22315
191: ok 22316
191: ok 22317
191: ok 22318
191: ok 22319
191: ok 22320
191: ok 22321
191: ok 22322
191: ok 22323
191: ok 22324
191: ok 22325
191: ok 22326
191: ok 22327
191: ok 22328
191: ok 22329
191: ok 22330
191: ok 22331
191: ok 22332
191: ok 22333
191: ok 22334
191: ok 22335
191: ok 22336
191: ok 22337
191: ok 22338
191: ok 22339
191: ok 22340
191: ok 22341
191: ok 22342
191: ok 22343
191: ok 22344
191: ok 22345
191: ok 22346
191: ok 22347
191: ok 22348
191: ok 22349
191: ok 22350
191: ok 22351
191: ok 22352
191: ok 22353
191: ok 22354
191: ok 22355
191: ok 22356
191: ok 22357
191: ok 22358
191: ok 22359
191: ok 22360
191: ok 22361
191: ok 22362
191: ok 22363
191: ok 22364
191: ok 22365
191: ok 22366
191: ok 22367
191: ok 22368
191: ok 22369
191: ok 22370
191: ok 22371
191: ok 22372
191: ok 22373
191: ok 22374
191: ok 22375
191: ok 22376
191: ok 22377
191: ok 22378
191: ok 22379
191: ok 22380
191: ok 22381
191: ok 22382
191: ok 22383
191: ok 22384
191: ok 22385
191: ok 22386
191: ok 22387
191: ok 22388
191: ok 22389
191: ok 22390
191: ok 22391
191: ok 22392
191: ok 22393
191: ok 22394
191: ok 22395
191: ok 22396
191: ok 22397
191: ok 22398
191: ok 22399
191: ok 22400
191: ok 22401
191: ok 22402
191: ok 22403
191: ok 22404
191: ok 22405
191: ok 22406
191: ok 22407
191: ok 22408
191: ok 22409
191: ok 22410
191: ok 22411
191: ok 22412
191: ok 22413
191: ok 22414
191: ok 22415
191: ok 22416
191: ok 22417
191: ok 22418
191: ok 22419
191: ok 22420
191: ok 22421
191: ok 22422
191: ok 22423
191: ok 22424
191: ok 22425
191: ok 22426
191: ok 22427
191: ok 22428
191: ok 22429
191: ok 22430
191: ok 22431
191: ok 22432
191: ok 22433
191: ok 22434
191: ok 22435
191: ok 22436
191: ok 22437
191: ok 22438
191: ok 22439
191: ok 22440
191: ok 22441
191: ok 22442
191: ok 22443
191: ok 22444
191: ok 22445
191: ok 22446
191: ok 22447
191: ok 22448
191: ok 22449
191: ok 22450
191: ok 22451
191: ok 22452
191: ok 22453
191: ok 22454
191: ok 22455
191: ok 22456
191: ok 22457
191: ok 22458
191: ok 22459
191: ok 22460
191: ok 22461
191: ok 22462
191: ok 22463
191: ok 22464
191: ok 22465
191: ok 22466
191: ok 22467
191: ok 22468
191: ok 22469
191: ok 22470
191: ok 22471
191: ok 22472
191: ok 22473
191: ok 22474
191: ok 22475
191: ok 22476
191: ok 22477
191: ok 22478
191: ok 22479
191: ok 22480
191: ok 22481
191: ok 22482
191: ok 22483
191: ok 22484
191: ok 22485
191: ok 22486
191: ok 22487
191: ok 22488
191: ok 22489
191: ok 22490
191: ok 22491
191: ok 22492
191: ok 22493
191: ok 22494
191: ok 22495
191: ok 22496
191: ok 22497
191: ok 22498
191: ok 22499
191: ok 22500
191: ok 22501
191: ok 22502
191: ok 22503
191: ok 22504
191: ok 22505
191: ok 22506
191: ok 22507
191: ok 22508
191: ok 22509
191: ok 22510
191: ok 22511
191: ok 22512
191: ok 22513
191: ok 22514
191: ok 22515
191: ok 22516
191: ok 22517
191: ok 22518
191: ok 22519
191: ok 22520
191: ok 22521
191: ok 22522
191: ok 22523
191: ok 22524
191: ok 22525
191: ok 22526
191: ok 22527
191: ok 22528
191: ok 22529
191: ok 22530
191: ok 22531
191: ok 22532
191: ok 22533
191: ok 22534
191: ok 22535
191: ok 22536
191: ok 22537
191: ok 22538
191: ok 22539
191: ok 22540
191: ok 22541
191: ok 22542
191: ok 22543
191: ok 22544
191: ok 22545
191: ok 22546
191: ok 22547
191: ok 22548
191: ok 22549
191: ok 22550
191: ok 22551
191: ok 22552
191: ok 22553
191: ok 22554
191: ok 22555
191: ok 22556
191: ok 22557
191: ok 22558
191: ok 22559
191: ok 22560
191: ok 22561
191: ok 22562
191: ok 22563
191: ok 22564
191: ok 22565
191: ok 22566
191: ok 22567
191: ok 22568
191: ok 22569
191: ok 22570
191: ok 22571
191: ok 22572
191: ok 22573
191: ok 22574
191: ok 22575
191: ok 22576
191: ok 22577
191: ok 22578
191: ok 22579
191: ok 22580
191: ok 22581
191: ok 22582
191: ok 22583
191: ok 22584
191: ok 22585
191: ok 22586
191: ok 22587
191: ok 22588
191: ok 22589
191: ok 22590
191: ok 22591
191: ok 22592
191: ok 22593
191: ok 22594
191: ok 22595
191: ok 22596
191: ok 22597
191: ok 22598
191: ok 22599
191: ok 22600
191: ok 22601
191: ok 22602
191: ok 22603
191: ok 22604
191: ok 22605
191: ok 22606
191: ok 22607
191: ok 22608
191: ok 22609
191: ok 22610
191: ok 22611
191: ok 22612
191: ok 22613
191: ok 22614
191: ok 22615
191: ok 22616
191: ok 22617
191: ok 22618
191: ok 22619
191: ok 22620
191: ok 22621
191: ok 22622
191: ok 22623
191: ok 22624
191: ok 22625
191: ok 22626
191: ok 22627
191: ok 22628
191: ok 22629
191: ok 22630
191: ok 22631
191: ok 22632
191: ok 22633
191: ok 22634
191: ok 22635
191: ok 22636
191: ok 22637
191: ok 22638
191: ok 22639
191: ok 22640
191: ok 22641
191: ok 22642
191: ok 22643
191: ok 22644
191: ok 22645
191: ok 22646
191: ok 22647
191: ok 22648
191: ok 22649
191: ok 22650
191: ok 22651
191: ok 22652
191: ok 22653
191: ok 22654
191: ok 22655
191: ok 22656
191: ok 22657
191: ok 22658
191: ok 22659
191: ok 22660
191: ok 22661
191: ok 22662
191: ok 22663
191: ok 22664
191: ok 22665
191: ok 22666
191: ok 22667
191: ok 22668
191: ok 22669
191: ok 22670
191: ok 22671
191: ok 22672
191: ok 22673
191: ok 22674
191: ok 22675
191: ok 22676
191: ok 22677
191: ok 22678
191: ok 22679
191: ok 22680
191: ok 22681
191: ok 22682
191: ok 22683
191: ok 22684
191: ok 22685
191: ok 22686
191: ok 22687
191: ok 22688
191: ok 22689
191: ok 22690
191: ok 22691
191: ok 22692
191: ok 22693
191: ok 22694
191: ok 22695
191: ok 22696
191: ok 22697
191: ok 22698
191: ok 22699
191: ok 22700
191: ok 22701
191: ok 22702
191: ok 22703
191: ok 22704
191: ok 22705
191: ok 22706
191: ok 22707
191: ok 22708
191: ok 22709
191: ok 22710
191: ok 22711
191: ok 22712
191: ok 22713
191: ok 22714
191: ok 22715
191: ok 22716
191: ok 22717
191: ok 22718
191: ok 22719
191: ok 22720
191: ok 22721
191: ok 22722
191: ok 22723
191: ok 22724
191: ok 22725
191: ok 22726
191: ok 22727
191: ok 22728
191: ok 22729
191: ok 22730
191: ok 22731
191: ok 22732
191: ok 22733
191: ok 22734
191: ok 22735
191: ok 22736
191: ok 22737
191: ok 22738
191: ok 22739
191: ok 22740
191: ok 22741
191: ok 22742
191: ok 22743
191: ok 22744
191: ok 22745
191: ok 22746
191: ok 22747
191: ok 22748
191: ok 22749
191: ok 22750
191: ok 22751
191: ok 22752
191: ok 22753
191: ok 22754
191: ok 22755
191: ok 22756
191: ok 22757
191: ok 22758
191: ok 22759
191: ok 22760
191: ok 22761
191: ok 22762
191: ok 22763
191: ok 22764
191: ok 22765
191: ok 22766
191: ok 22767
191: ok 22768
191: ok 22769
191: ok 22770
191: ok 22771
191: ok 22772
191: ok 22773
191: ok 22774
191: ok 22775
191: ok 22776
191: ok 22777
191: ok 22778
191: ok 22779
191: ok 22780
191: ok 22781
191: ok 22782
191: ok 22783
191: ok 22784
191: ok 22785
191: ok 22786
191: ok 22787
191: ok 22788
191: ok 22789
191: ok 22790
191: ok 22791
191: ok 22792
191: ok 22793
191: ok 22794
191: ok 22795
191: ok 22796
191: ok 22797
191: ok 22798
191: ok 22799
191: ok 22800
191: ok 22801
191: ok 22802
191: ok 22803
191: ok 22804
191: ok 22805
191: ok 22806
191: ok 22807
191: ok 22808
191: ok 22809
191: ok 22810
191: ok 22811
191: ok 22812
191: ok 22813
191: ok 22814
191: ok 22815
191: ok 22816
191: ok 22817
191: ok 22818
191: ok 22819
191: ok 22820
191: ok 22821
191: ok 22822
191: ok 22823
191: ok 22824
191: ok 22825
191: ok 22826
191: ok 22827
191: ok 22828
191: ok 22829
191: ok 22830
191: ok 22831
191: ok 22832
191: ok 22833
191: ok 22834
191: ok 22835
191: ok 22836
191: ok 22837
191: ok 22838
191: ok 22839
191: ok 22840
191: ok 22841
191: ok 22842
191: ok 22843
191: ok 22844
191: ok 22845
191: ok 22846
191: ok 22847
191: ok 22848
191: ok 22849
191: ok 22850
191: ok 22851
191: ok 22852
191: ok 22853
191: ok 22854
191: ok 22855
191: ok 22856
191: ok 22857
191: ok 22858
191: ok 22859
191: ok 22860
191: ok 22861
191: ok 22862
191: ok 22863
191: ok 22864
191: ok 22865
191: ok 22866
191: ok 22867
191: ok 22868
191: ok 22869
191: ok 22870
191: ok 22871
191: ok 22872
191: ok 22873
191: ok 22874
191: ok 22875
191: ok 22876
191: ok 22877
191: ok 22878
191: ok 22879
191: ok 22880
191: ok 22881
191: ok 22882
191: ok 22883
191: ok 22884
191: ok 22885
191: ok 22886
191: ok 22887
191: ok 22888
191: ok 22889
191: ok 22890
191: ok 22891
191: ok 22892
191: ok 22893
191: ok 22894
191: ok 22895
191: ok 22896
191: ok 22897
191: ok 22898
191: ok 22899
191: ok 22900
191: ok 22901
191: ok 22902
191: ok 22903
191: ok 22904
191: ok 22905
191: ok 22906
191: ok 22907
191: ok 22908
191: ok 22909
191: ok 22910
191: ok 22911
191: ok 22912
191: ok 22913
191: ok 22914
191: ok 22915
191: ok 22916
191: ok 22917
191: ok 22918
191: ok 22919
191: ok 22920
191: ok 22921
191: ok 22922
191: ok 22923
191: ok 22924
191: ok 22925
191: ok 22926
191: ok 22927
191: ok 22928
191: ok 22929
191: ok 22930
191: ok 22931
191: ok 22932
191: ok 22933
191: ok 22934
191: ok 22935
191: ok 22936
191: ok 22937
191: ok 22938
191: ok 22939
191: ok 22940
191: ok 22941
191: ok 22942
191: ok 22943
191: ok 22944
191: ok 22945
191: ok 22946
191: ok 22947
191: ok 22948
191: ok 22949
191: ok 22950
191: ok 22951
191: ok 22952
191: ok 22953
191: ok 22954
191: ok 22955
191: ok 22956
191: ok 22957
191: ok 22958
191: ok 22959
191: ok 22960
191: ok 22961
191: ok 22962
191: ok 22963
191: ok 22964
191: ok 22965
191: ok 22966
191: ok 22967
191: ok 22968
191: ok 22969
191: ok 22970
191: ok 22971
191: ok 22972
191: ok 22973
191: ok 22974
191: ok 22975
191: ok 22976
191: ok 22977
191: ok 22978
191: ok 22979
191: ok 22980
191: ok 22981
191: ok 22982
191: ok 22983
191: ok 22984
191: ok 22985
191: ok 22986
191: ok 22987
191: ok 22988
191: ok 22989
191: ok 22990
191: ok 22991
191: ok 22992
191: ok 22993
191: ok 22994
191: ok 22995
191: ok 22996
191: ok 22997
191: ok 22998
191: ok 22999
191: ok 23000
191: # math: passed testDistancesAnglesOrthogonality
191: 1..23000
191: # math: all tests are successful
192: # math: repeating each test 1000 times
192: # Testing MMFF94 Force Field...
192: # math: entering testInversion
192: ok 1
192: ok 2
192: ok 3
192: ok 4
192: ok 5
192: ok 6
192: ok 7
192: ok 8
192: ok 9
192: ok 10
192: ok 11
192: ok 12
192: ok 13
192: ok 14
192: ok 15
192: ok 16
192: ok 17
192: ok 18
192: ok 19
192: ok 20
192: ok 21
192: ok 22
192: ok 23
192: ok 24
192: ok 25
192: ok 26
192: ok 27
192: ok 28
192: ok 29
192: ok 30
192: ok 31
192: ok 32
192: ok 33
192: ok 34
192: ok 35
192: ok 36
192: ok 37
192: ok 38
192: ok 39
192: ok 40
192: ok 41
192: ok 42
192: ok 43
192: ok 44
192: ok 45
192: ok 46
192: ok 47
192: ok 48
192: ok 49
192: ok 50
192: ok 51
192: ok 52
192: ok 53
192: ok 54
192: ok 55
192: ok 56
192: ok 57
192: ok 58
192: ok 59
192: ok 60
192: ok 61
192: ok 62
192: ok 63
192: ok 64
192: ok 65
192: ok 66
192: ok 67
192: ok 68
192: ok 69
192: ok 70
192: ok 71
192: ok 72
192: ok 73
192: ok 74
192: ok 75
192: ok 76
192: ok 77
192: ok 78
192: ok 79
192: ok 80
192: ok 81
192: ok 82
192: ok 83
192: ok 84
192: ok 85
192: ok 86
192: ok 87
192: ok 88
192: ok 89
192: ok 90
192: ok 91
192: ok 92
192: ok 93
192: ok 94
192: ok 95
192: ok 96
192: ok 97
192: ok 98
192: ok 99
192: ok 100
192: ok 101
192: ok 102
192: ok 103
192: ok 104
192: ok 105
192: ok 106
192: ok 107
192: ok 108
192: ok 109
192: ok 110
192: ok 111
192: ok 112
192: ok 113
192: ok 114
192: ok 115
192: ok 116
192: ok 117
192: ok 118
192: ok 119
192: ok 120
192: ok 121
192: ok 122
192: ok 123
192: ok 124
192: ok 125
192: ok 126
192: ok 127
192: ok 128
192: ok 129
192: ok 130
192: ok 131
192: ok 132
192: ok 133
192: ok 134
192: ok 135
192: ok 136
192: ok 137
192: ok 138
192: ok 139
192: ok 140
192: ok 141
192: ok 142
192: ok 143
192: ok 144
192: ok 145
192: ok 146
192: ok 147
192: ok 148
192: ok 149
192: ok 150
192: ok 151
192: ok 152
192: ok 153
192: ok 154
192: ok 155
192: ok 156
192: ok 157
192: ok 158
192: ok 159
192: ok 160
192: ok 161
192: ok 162
192: ok 163
192: ok 164
192: ok 165
192: ok 166
192: ok 167
192: ok 168
192: ok 169
192: ok 170
192: ok 171
192: ok 172
192: ok 173
192: ok 174
192: ok 175
192: ok 176
192: ok 177
192: ok 178
192: ok 179
192: ok 180
192: ok 181
192: ok 182
192: ok 183
192: ok 184
192: ok 185
192: ok 186
192: ok 187
192: ok 188
192: ok 189
192: ok 190
192: ok 191
192: ok 192
192: ok 193
192: ok 194
192: ok 195
192: ok 196
192: ok 197
192: ok 198
192: ok 199
192: ok 200
192: ok 201
192: ok 202
192: ok 203
192: ok 204
192: ok 205
192: ok 206
192: ok 207
192: ok 208
192: ok 209
192: ok 210
192: ok 211
192: ok 212
192: ok 213
192: ok 214
192: ok 215
192: ok 216
192: ok 217
192: ok 218
192: ok 219
192: ok 220
192: ok 221
192: ok 222
192: ok 223
192: ok 224
192: ok 225
192: ok 226
192: ok 227
192: ok 228
192: ok 229
192: ok 230
192: ok 231
192: ok 232
192: ok 233
192: ok 234
192: ok 235
192: ok 236
192: ok 237
192: ok 238
192: ok 239
192: ok 240
192: ok 241
192: ok 242
192: ok 243
192: ok 244
192: ok 245
192: ok 246
192: ok 247
192: ok 248
192: ok 249
192: ok 250
192: ok 251
192: ok 252
192: ok 253
192: ok 254
192: ok 255
192: ok 256
192: ok 257
192: ok 258
192: ok 259
192: ok 260
192: ok 261
192: ok 262
192: ok 263
192: ok 264
192: ok 265
192: ok 266
192: ok 267
192: ok 268
192: ok 269
192: ok 270
192: ok 271
192: ok 272
192: ok 273
192: ok 274
192: ok 275
192: ok 276
192: ok 277
192: ok 278
192: ok 279
192: ok 280
192: ok 281
192: ok 282
192: ok 283
192: ok 284
192: ok 285
192: ok 286
192: ok 287
192: ok 288
192: ok 289
192: ok 290
192: ok 291
192: ok 292
192: ok 293
192: ok 294
192: ok 295
192: ok 296
192: ok 297
192: ok 298
192: ok 299
192: ok 300
192: ok 301
192: ok 302
192: ok 303
192: ok 304
192: ok 305
192: ok 306
192: ok 307
192: ok 308
192: ok 309
192: ok 310
192: ok 311
192: ok 312
192: ok 313
192: ok 314
192: ok 315
192: ok 316
192: ok 317
192: ok 318
192: ok 319
192: ok 320
192: ok 321
192: ok 322
192: ok 323
192: ok 324
192: ok 325
192: ok 326
192: ok 327
192: ok 328
192: ok 329
192: ok 330
192: ok 331
192: ok 332
192: ok 333
192: ok 334
192: ok 335
192: ok 336
192: ok 337
192: ok 338
192: ok 339
192: ok 340
192: ok 341
192: ok 342
192: ok 343
192: ok 344
192: ok 345
192: ok 346
192: ok 347
192: ok 348
192: ok 349
192: ok 350
192: ok 351
192: ok 352
192: ok 353
192: ok 354
192: ok 355
192: ok 356
192: ok 357
192: ok 358
192: ok 359
192: ok 360
192: ok 361
192: ok 362
192: ok 363
192: ok 364
192: ok 365
192: ok 366
192: ok 367
192: ok 368
192: ok 369
192: ok 370
192: ok 371
192: ok 372
192: ok 373
192: ok 374
192: ok 375
192: ok 376
192: ok 377
192: ok 378
192: ok 379
192: ok 380
192: ok 381
192: ok 382
192: ok 383
192: ok 384
192: ok 385
192: ok 386
192: ok 387
192: ok 388
192: ok 389
192: ok 390
192: ok 391
192: ok 392
192: ok 393
192: ok 394
192: ok 395
192: ok 396
192: ok 397
192: ok 398
192: ok 399
192: ok 400
192: ok 401
192: ok 402
192: ok 403
192: ok 404
192: ok 405
192: ok 406
192: ok 407
192: ok 408
192: ok 409
192: ok 410
192: ok 411
192: ok 412
192: ok 413
192: ok 414
192: ok 415
192: ok 416
192: ok 417
192: ok 418
192: ok 419
192: ok 420
192: ok 421
192: ok 422
192: ok 423
192: ok 424
192: ok 425
192: ok 426
192: ok 427
192: ok 428
192: ok 429
192: ok 430
192: ok 431
192: ok 432
192: ok 433
192: ok 434
192: ok 435
192: ok 436
192: ok 437
192: ok 438
192: ok 439
192: ok 440
192: ok 441
192: ok 442
192: ok 443
192: ok 444
192: ok 445
192: ok 446
192: ok 447
192: ok 448
192: ok 449
192: ok 450
192: ok 451
192: ok 452
192: ok 453
192: ok 454
192: ok 455
192: ok 456
192: ok 457
192: ok 458
192: ok 459
192: ok 460
192: ok 461
192: ok 462
192: ok 463
192: ok 464
192: ok 465
192: ok 466
192: ok 467
192: ok 468
192: ok 469
192: ok 470
192: ok 471
192: ok 472
192: ok 473
192: ok 474
192: ok 475
192: ok 476
192: ok 477
192: ok 478
192: ok 479
192: ok 480
192: ok 481
192: ok 482
192: ok 483
192: ok 484
192: ok 485
192: ok 486
192: ok 487
192: ok 488
192: ok 489
192: ok 490
192: ok 491
192: ok 492
192: ok 493
192: ok 494
192: ok 495
192: ok 496
192: ok 497
192: ok 498
192: ok 499
192: ok 500
192: ok 501
192: ok 502
192: ok 503
192: ok 504
192: ok 505
192: ok 506
192: ok 507
192: ok 508
192: ok 509
192: ok 510
192: ok 511
192: ok 512
192: ok 513
192: ok 514
192: ok 515
192: ok 516
192: ok 517
192: ok 518
192: ok 519
192: ok 520
192: ok 521
192: ok 522
192: ok 523
192: ok 524
192: ok 525
192: ok 526
192: ok 527
192: ok 528
192: ok 529
192: ok 530
192: ok 531
192: ok 532
192: ok 533
192: ok 534
192: ok 535
192: ok 536
192: ok 537
192: ok 538
192: ok 539
192: ok 540
192: ok 541
192: ok 542
192: ok 543
192: ok 544
192: ok 545
192: ok 546
192: ok 547
192: ok 548
192: ok 549
192: ok 550
192: ok 551
192: ok 552
192: ok 553
192: ok 554
192: ok 555
192: ok 556
192: ok 557
192: ok 558
192: ok 559
192: ok 560
192: ok 561
192: ok 562
192: ok 563
192: ok 564
192: ok 565
192: ok 566
192: ok 567
192: ok 568
192: ok 569
192: ok 570
192: ok 571
192: ok 572
192: ok 573
192: ok 574
192: ok 575
192: ok 576
192: ok 577
192: ok 578
192: ok 579
192: ok 580
192: ok 581
192: ok 582
192: ok 583
192: ok 584
192: ok 585
192: ok 586
192: ok 587
192: ok 588
192: ok 589
192: ok 590
192: ok 591
192: ok 592
192: ok 593
192: ok 594
192: ok 595
192: ok 596
192: ok 597
192: ok 598
192: ok 599
192: ok 600
192: ok 601
192: ok 602
192: ok 603
192: ok 604
192: ok 605
192: ok 606
192: ok 607
192: ok 608
192: ok 609
192: ok 610
192: ok 611
192: ok 612
192: ok 613
192: ok 614
192: ok 615
192: ok 616
192: ok 617
192: ok 618
192: ok 619
192: ok 620
192: ok 621
192: ok 622
192: ok 623
192: ok 624
192: ok 625
192: ok 626
192: ok 627
192: ok 628
192: ok 629
192: ok 630
192: ok 631
192: ok 632
192: ok 633
192: ok 634
192: ok 635
192: ok 636
192: ok 637
192: ok 638
192: ok 639
192: ok 640
192: ok 641
192: ok 642
192: ok 643
192: ok 644
192: ok 645
192: ok 646
192: ok 647
192: ok 648
192: ok 649
192: ok 650
192: ok 651
192: ok 652
192: ok 653
192: ok 654
192: ok 655
192: ok 656
192: ok 657
192: ok 658
192: ok 659
192: ok 660
192: ok 661
192: ok 662
192: ok 663
192: ok 664
192: ok 665
192: ok 666
192: ok 667
192: ok 668
192: ok 669
192: ok 670
192: ok 671
192: ok 672
192: ok 673
192: ok 674
192: ok 675
192: ok 676
192: ok 677
192: ok 678
192: ok 679
192: ok 680
192: ok 681
192: ok 682
192: ok 683
192: ok 684
192: ok 685
192: ok 686
192: ok 687
192: ok 688
192: ok 689
192: ok 690
192: ok 691
192: ok 692
192: ok 693
192: ok 694
192: ok 695
192: ok 696
192: ok 697
192: ok 698
192: ok 699
192: ok 700
192: ok 701
192: ok 702
192: ok 703
192: ok 704
192: ok 705
192: ok 706
192: ok 707
192: ok 708
192: ok 709
192: ok 710
192: ok 711
192: ok 712
192: ok 713
192: ok 714
192: ok 715
192: ok 716
192: ok 717
192: ok 718
192: ok 719
192: ok 720
192: ok 721
192: ok 722
192: ok 723
192: ok 724
192: ok 725
192: ok 726
192: ok 727
192: ok 728
192: ok 729
192: ok 730
192: ok 731
192: ok 732
192: ok 733
192: ok 734
192: ok 735
192: ok 736
192: ok 737
192: ok 738
192: ok 739
192: ok 740
192: ok 741
192: ok 742
192: ok 743
192: ok 744
192: ok 745
192: ok 746
192: ok 747
192: ok 748
192: ok 749
192: ok 750
192: ok 751
192: ok 752
192: ok 753
192: ok 754
192: ok 755
192: ok 756
192: ok 757
192: ok 758
192: ok 759
192: ok 760
192: ok 761
192: ok 762
192: ok 763
192: ok 764
192: ok 765
192: ok 766
192: ok 767
192: ok 768
192: ok 769
192: ok 770
192: ok 771
192: ok 772
192: ok 773
192: ok 774
192: ok 775
192: ok 776
192: ok 777
192: ok 778
192: ok 779
192: ok 780
192: ok 781
192: ok 782
192: ok 783
192: ok 784
192: ok 785
192: ok 786
192: ok 787
192: ok 788
192: ok 789
192: ok 790
192: ok 791
192: ok 792
192: ok 793
192: ok 794
192: ok 795
192: ok 796
192: ok 797
192: ok 798
192: ok 799
192: ok 800
192: ok 801
192: ok 802
192: ok 803
192: ok 804
192: ok 805
192: ok 806
192: ok 807
192: ok 808
192: ok 809
192: ok 810
192: ok 811
192: ok 812
192: ok 813
192: ok 814
192: ok 815
192: ok 816
192: ok 817
192: ok 818
192: ok 819
192: ok 820
192: ok 821
192: ok 822
192: ok 823
192: ok 824
192: ok 825
192: ok 826
192: ok 827
192: ok 828
192: ok 829
192: ok 830
192: ok 831
192: ok 832
192: ok 833
192: ok 834
192: ok 835
192: ok 836
192: ok 837
192: ok 838
192: ok 839
192: ok 840
192: ok 841
192: ok 842
192: ok 843
192: ok 844
192: ok 845
192: ok 846
192: ok 847
192: ok 848
192: ok 849
192: ok 850
192: ok 851
192: ok 852
192: ok 853
192: ok 854
192: ok 855
192: ok 856
192: ok 857
192: ok 858
192: ok 859
192: ok 860
192: ok 861
192: ok 862
192: ok 863
192: ok 864
192: ok 865
192: ok 866
192: ok 867
192: ok 868
192: ok 869
192: ok 870
192: ok 871
192: ok 872
192: ok 873
192: ok 874
192: ok 875
192: ok 876
192: ok 877
192: ok 878
192: ok 879
192: ok 880
192: ok 881
192: ok 882
192: ok 883
192: ok 884
192: ok 885
192: ok 886
192: ok 887
192: ok 888
192: ok 889
192: ok 890
192: ok 891
192: ok 892
192: ok 893
192: ok 894
192: ok 895
192: ok 896
192: ok 897
192: ok 898
192: ok 899
192: ok 900
192: ok 901
192: ok 902
192: ok 903
192: ok 904
192: ok 905
192: ok 906
192: ok 907
192: ok 908
192: ok 909
192: ok 910
192: ok 911
192: ok 912
192: ok 913
192: ok 914
192: ok 915
192: ok 916
192: ok 917
192: ok 918
192: ok 919
192: ok 920
192: ok 921
192: ok 922
192: ok 923
192: ok 924
192: ok 925
192: ok 926
192: ok 927
192: ok 928
192: ok 929
192: ok 930
192: ok 931
192: ok 932
192: ok 933
192: ok 934
192: ok 935
192: ok 936
192: ok 937
192: ok 938
192: ok 939
192: ok 940
192: ok 941
192: ok 942
192: ok 943
192: ok 944
192: ok 945
192: ok 946
192: ok 947
192: ok 948
192: ok 949
192: ok 950
192: ok 951
192: ok 952
192: ok 953
192: ok 954
192: ok 955
192: ok 956
192: ok 957
192: ok 958
192: ok 959
192: ok 960
192: ok 961
192: ok 962
192: ok 963
192: ok 964
192: ok 965
192: ok 966
192: ok 967
192: ok 968
192: ok 969
192: ok 970
192: ok 971
192: ok 972
192: ok 973
192: ok 974
192: ok 975
192: ok 976
192: ok 977
192: ok 978
192: ok 979
192: ok 980
192: ok 981
192: ok 982
192: ok 983
192: ok 984
192: ok 985
192: ok 986
192: ok 987
192: ok 988
192: ok 989
192: ok 990
192: ok 991
192: ok 992
192: ok 993
192: ok 994
192: ok 995
192: ok 996
192: ok 997
192: ok 998
192: ok 999
192: ok 1000
192: # math: passed testInversion
192: 1..1000
192: # math: all tests are successful
191/223 Test #192: test_math_3 ......................   Passed    0.55 sec
test 193
        Start 193: test_math_4

193: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "math" "4"
193: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
193: Environment variables: 
193:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
193:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
193: Test timeout computed to be: 1500
192/223 Test #191: test_math_2 ......................   Passed    1.68 sec
test 194
        Start 194: test_mol_1

194: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "mol" "1"
194: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
194: Environment variables: 
194:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
194:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
194: Test timeout computed to be: 1500
193: # math: repeating each test 1000 times
193: # Testing MMFF94 Force Field...
193: # math: entering testEigenvalues
193: ok 1
193: ok 2
193: ok 3
193: ok 4
193: ok 5
193: ok 6
193: ok 7
193: ok 8
193: ok 9
193: ok 10
193: ok 11
193: ok 12
193: ok 13
193: ok 14
193: ok 15
193: ok 16
193: ok 17
193: ok 18
193: ok 19
193: ok 20
193: ok 21
193: ok 22
193: ok 23
193: ok 24
193: ok 25
193: ok 26
193: ok 27
193: ok 28
193: ok 29
193: ok 30
193: ok 31
193: ok 32
193: ok 33
193: ok 34
193: ok 35
193: ok 36
193: ok 37
193: ok 38
193: ok 39
193: ok 40
193: ok 41
193: ok 42
193: ok 43
193: ok 44
193: ok 45
193: ok 46
193: ok 47
193: ok 48
193: ok 49
193: ok 50
193: ok 51
193: ok 52
193: ok 53
193: ok 54
193: ok 55
193: ok 56
193: ok 57
193: ok 58
193: ok 59
193: ok 60
193: ok 61
193: ok 62
193: ok 63
193: ok 64
193: ok 65
193: ok 66
193: ok 67
193: ok 68
193: ok 69
193: ok 70
193: ok 71
193: ok 72
193: ok 73
193: ok 74
193: ok 75
193: ok 76
193: ok 77
193: ok 78
193: ok 79
193: ok 80
193: ok 81
193: ok 82
193: ok 83
193: ok 84
193: ok 85
193: ok 86
193: ok 87
193: ok 88
193: ok 89
193: ok 90
193: ok 91
193: ok 92
193: ok 93
193: ok 94
193: ok 95
193: ok 96
193: ok 97
193: ok 98
193: ok 99
193: ok 100
193: ok 101
193: ok 102
193: ok 103
193: ok 104
193: ok 105
193: ok 106
193: ok 107
193: ok 108
193: ok 109
193: ok 110
193: ok 111
193: ok 112
193: ok 113
193: ok 114
193: ok 115
193: ok 116
193: ok 117
193: ok 118
193: ok 119
193: ok 120
193: ok 121
193: ok 122
193: ok 123
193: ok 124
193: ok 125
193: ok 126
193: ok 127
193: ok 128
193: ok 129
193: ok 130
193: ok 131
193: ok 132
193: ok 133
193: ok 134
193: ok 135
193: ok 136
193: ok 137
193: ok 138
193: ok 139
193: ok 140
193: ok 141
193: ok 142
193: ok 143
193: ok 144
193: ok 145
193: ok 146
193: ok 147
193: ok 148
193: ok 149
193: ok 150
193: ok 151
193: ok 152
193: ok 153
193: ok 154
193: ok 155
193: ok 156
193: ok 157
193: ok 158
193: ok 159
193: ok 160
193: ok 161
193: ok 162
193: ok 163
193: ok 164
193: ok 165
193: ok 166
193: ok 167
193: ok 168
193: ok 169
193: ok 170
193: ok 171
193: ok 172
193: ok 173
193: ok 174
193: ok 175
193: ok 176
193: ok 177
193: ok 178
193: ok 179
193: ok 180
193: ok 181
193: ok 182
193: ok 183
193: ok 184
193: ok 185
193: ok 186
193: ok 187
193: ok 188
193: ok 189
193: ok 190
193: ok 191
193: ok 192
193: ok 193
193: ok 194
193: ok 195
193: ok 196
193: ok 197
193: ok 198
193: ok 199
193: ok 200
193: ok 201
193: ok 202
193: ok 203
193: ok 204
193: ok 205
193: ok 206
193: ok 207
193: ok 208
193: ok 209
193: ok 210
193: ok 211
193: ok 212
193: ok 213
193: ok 214
193: ok 215
193: ok 216
193: ok 217
193: ok 218
193: ok 219
193: ok 220
193: ok 221
193: ok 222
193: ok 223
193: ok 224
193: ok 225
193: ok 226
193: ok 227
193: ok 228
193: ok 229
193: ok 230
193: ok 231
193: ok 232
193: ok 233
193: ok 234
193: ok 235
193: ok 236
193: ok 237
193: ok 238
193: ok 239
193: ok 240
193: ok 241
193: ok 242
193: ok 243
193: ok 244
193: ok 245
193: ok 246
193: ok 247
193: ok 248
193: ok 249
193: ok 250
193: ok 251
193: ok 252
193: ok 253
193: ok 254
193: ok 255
193: ok 256
193: ok 257
193: ok 258
193: ok 259
193: ok 260
193: ok 261
193: ok 262
193: ok 263
193: ok 264
193: ok 265
193: ok 266
193: ok 267
193: ok 268
193: ok 269
193: ok 270
193: ok 271
193: ok 272
193: ok 273
193: ok 274
193: ok 275
193: ok 276
193: ok 277
193: ok 278
193: ok 279
193: ok 280
193: ok 281
193: ok 282
193: ok 283
193: ok 284
193: ok 285
193: ok 286
193: ok 287
193: ok 288
193: ok 289
193: ok 290
193: ok 291
193: ok 292
193: ok 293
193: ok 294
193: ok 295
193: ok 296
193: ok 297
193: ok 298
193: ok 299
193: ok 300
193: ok 301
193: ok 302
193: ok 303
193: ok 304
193: ok 305
193: ok 306
193: ok 307
193: ok 308
193: ok 309
193: ok 310
193: ok 311
193: ok 312
193: ok 313
193: ok 314
193: ok 315
193: ok 316
193: ok 317
193: ok 318
193: ok 319
193: ok 320
193: ok 321
193: ok 322
193: ok 323
193: ok 324
193: ok 325
193: ok 326
193: ok 327
193: ok 328
193: ok 329
193: ok 330
193: ok 331
193: ok 332
193: ok 333
193: ok 334
193: ok 335
193: ok 336
193: ok 337
193: ok 338
193: ok 339
193: ok 340
193: ok 341
193: ok 342
193: ok 343
193: ok 344
193: ok 345
193: ok 346
193: ok 347
193: ok 348
193: ok 349
193: ok 350
193: ok 351
193: ok 352
193: ok 353
193: ok 354
193: ok 355
193: ok 356
193: ok 357
193: ok 358
193: ok 359
193: ok 360
193: ok 361
193: ok 362
193: ok 363
193: ok 364
193: ok 365
193: ok 366
193: ok 367
193: ok 368
193: ok 369
193: ok 370
193: ok 371
193: ok 372
193: ok 373
193: ok 374
193: ok 375
193: ok 376
193: ok 377
193: ok 378
193: ok 379
193: ok 380
193: ok 381
193: ok 382
193: ok 383
193: ok 384
193: ok 385
193: ok 386
193: ok 387
193: ok 388
193: ok 389
193: ok 390
193: ok 391
193: ok 392
193: ok 393
193: ok 394
193: ok 395
193: ok 396
193: ok 397
193: ok 398
193: ok 399
193: ok 400
193: ok 401
193: ok 402
193: ok 403
193: ok 404
193: ok 405
193: ok 406
193: ok 407
193: ok 408
193: ok 409
193: ok 410
193: ok 411
193: ok 412
193: ok 413
193: ok 414
193: ok 415
193: ok 416
193: ok 417
193: ok 418
193: ok 419
193: ok 420
193: ok 421
193: ok 422
193: ok 423
193: ok 424
193: ok 425
193: ok 426
193: ok 427
193: ok 428
193: ok 429
193: ok 430
193: ok 431
193: ok 432
193: ok 433
193: ok 434
193: ok 435
193: ok 436
193: ok 437
193: ok 438
193: ok 439
193: ok 440
193: ok 441
193: ok 442
193: ok 443
193: ok 444
193: ok 445
193: ok 446
193: ok 447
193: ok 448
193: ok 449
193: ok 450
193: ok 451
193: ok 452
193: ok 453
193: ok 454
193: ok 455
193: ok 456
193: ok 457
193: ok 458
193: ok 459
193: ok 460
193: ok 461
193: ok 462
193: ok 463
193: ok 464
193: ok 465
193: ok 466
193: ok 467
193: ok 468
193: ok 469
193: ok 470
193: ok 471
193: ok 472
193: ok 473
193: ok 474
193: ok 475
193: ok 476
193: ok 477
193: ok 478
193: ok 479
193: ok 480
193: ok 481
193: ok 482
193: ok 483
193: ok 484
193: ok 485
193: ok 486
193: ok 487
193: ok 488
193: ok 489
193: ok 490
193: ok 491
193: ok 492
193: ok 493
193: ok 494
193: ok 495
193: ok 496
193: ok 497
193: ok 498
193: ok 499
193: ok 500
193: ok 501
193: ok 502
193: ok 503
193: ok 504
193: ok 505
193: ok 506
193: ok 507
193: ok 508
193: ok 509
193: ok 510
193: ok 511
193: ok 512
193: ok 513
193: ok 514
193: ok 515
193: ok 516
193: ok 517
193: ok 518
193: ok 519
193: ok 520
193: ok 521
193: ok 522
193: ok 523
193: ok 524
193: ok 525
193: ok 526
193: ok 527
193: ok 528
193: ok 529
193: ok 530
193: ok 531
193: ok 532
193: ok 533
193: ok 534
193: ok 535
193: ok 536
193: ok 537
193: ok 538
193: ok 539
193: ok 540
193: ok 541
193: ok 542
193: ok 543
193: ok 544
193: ok 545
193: ok 546
193: ok 547
193: ok 548
193: ok 549
193: ok 550
193: ok 551
193: ok 552
193: ok 553
193: ok 554
193: ok 555
193: ok 556
193: ok 557
193: ok 558
193: ok 559
193: ok 560
193: ok 561
193: ok 562
193: ok 563
193: ok 564
193: ok 565
193: ok 566
193: ok 567
193: ok 568
193: ok 569
193: ok 570
193: ok 571
193: ok 572
193: ok 573
193: ok 574
193: ok 575
193: ok 576
193: ok 577
193: ok 578
193: ok 579
193: ok 580
193: ok 581
193: ok 582
193: ok 583
193: ok 584
193: ok 585
193: ok 586
193: ok 587
193: ok 588
193: ok 589
193: ok 590
193: ok 591
193: ok 592
193: ok 593
193: ok 594
193: ok 595
193: ok 596
193: ok 597
193: ok 598
193: ok 599
193: ok 600
193: ok 601
193: ok 602
193: ok 603
193: ok 604
193: ok 605
193: ok 606
193: ok 607
193: ok 608
193: ok 609
193: ok 610
193: ok 611
193: ok 612
193: ok 613
193: ok 614
193: ok 615
193: ok 616
193: ok 617
193: ok 618
193: ok 619
193: ok 620
193: ok 621
193: ok 622
193: ok 623
193: ok 624
193: ok 625
193: ok 626
193: ok 627
193: ok 628
193: ok 629
193: ok 630
193: ok 631
193: ok 632
193: ok 633
193: ok 634
193: ok 635
193: ok 636
193: ok 637
193: ok 638
193: ok 639
193: ok 640
193: ok 641
193: ok 642
193: ok 643
193: ok 644
193: ok 645
193: ok 646
193: ok 647
193: ok 648
193: ok 649
193: ok 650
193: ok 651
193: ok 652
193: ok 653
193: ok 654
193: ok 655
193: ok 656
193: ok 657
193: ok 658
193: ok 659
193: ok 660
193: ok 661
193: ok 662
193: ok 663
193: ok 664
193: ok 665
193: ok 666
193: ok 667
193: ok 668
193: ok 669
193: ok 670
193: ok 671
193: ok 672
193: ok 673
193: ok 674
193: ok 675
193: ok 676
193: ok 677
193: ok 678
193: ok 679
193: ok 680
193: ok 681
193: ok 682
193: ok 683
193: ok 684
193: ok 685
193: ok 686
193: ok 687
193: ok 688
193: ok 689
193: ok 690
193: ok 691
193: ok 692
193: ok 693
193: ok 694
193: ok 695
193: ok 696
193: ok 697
193: ok 698
193: ok 699
193: ok 700
193: ok 701
193: ok 702
193: ok 703
193: ok 704
193: ok 705
193: ok 706
193: ok 707
193: ok 708
193: ok 709
193: ok 710
193: ok 711
193: ok 712
193: ok 713
193: ok 714
193: ok 715
193: ok 716
193: ok 717
193: ok 718
193: ok 719
193: ok 720
193: ok 721
193: ok 722
193: ok 723
193: ok 724
193: ok 725
193: ok 726
193: ok 727
193: ok 728
193: ok 729
193: ok 730
193: ok 731
193: ok 732
193: ok 733
193: ok 734
193: ok 735
193: ok 736
193: ok 737
193: ok 738
193: ok 739
193: ok 740
193: ok 741
193: ok 742
193: ok 743
193: ok 744
193: ok 745
193: ok 746
193: ok 747
193: ok 748
193: ok 749
193: ok 750
193: ok 751
193: ok 752
193: ok 753
193: ok 754
193: ok 755
193: ok 756
193: ok 757
193: ok 758
193: ok 759
193: ok 760
193: ok 761
193: ok 762
193: ok 763
193: ok 764
193: ok 765
193: ok 766
193: ok 767
193: ok 768
193: ok 769
193: ok 770
193: ok 771
193: ok 772
193: ok 773
193: ok 774
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193: ok 776
193: ok 777
193: ok 778
193: ok 779
193: ok 780
193: ok 781
193: ok 782
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193: ok 784
193: ok 785
193: ok 786
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193: ok 788
193: ok 789
193: ok 790
193: ok 791
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193: ok 793
193: ok 794
193: ok 795
193: ok 796
193: ok 797
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193: ok 799
193: ok 800
193: ok 801
193: ok 802
193: ok 803
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193: ok 817
193: ok 818
193: ok 819
193: ok 820
193: ok 821
193: ok 822
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193: ok 825
193: ok 826
193: ok 827
193: ok 828
193: ok 829
193: ok 830
193: ok 831
193: ok 832
193: ok 833
193: ok 834
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193: ok 850
193: ok 851
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193: ok 853
193: ok 854
193: ok 855
193: ok 856
193: ok 857
193: ok 858
193: ok 859
193: ok 860
193: ok 861
193: ok 862
193: ok 863
193: ok 864
193: ok 865
193: ok 866
193: ok 867
193: ok 868
193: ok 869
193: ok 870
193: ok 871
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193: ok 873
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193: ok 884
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193: ok 886
193: ok 887
193: ok 888
193: ok 889
193: ok 890
193: ok 891
193: ok 892
193: ok 893
193: ok 894
193: ok 895
193: ok 896
193: ok 897
193: ok 898
193: ok 899
193: ok 900
193: ok 901
193: ok 902
193: ok 903
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193: ok 905
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193: ok 907
193: ok 908
193: ok 909
193: ok 910
193: ok 911
193: ok 912
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193: ok 919
193: ok 920
193: ok 921
193: ok 922
193: ok 923
193: ok 924
193: ok 925
193: ok 926
193: ok 927
193: ok 928
193: ok 929
193: ok 930
193: ok 931
193: ok 932
193: ok 933
193: ok 934
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193: ok 936
193: ok 937
193: ok 938
193: ok 939
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193: ok 941
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193: ok 950
193: ok 951
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193: ok 953
193: ok 954
193: ok 955
193: ok 956
193: ok 957
193: ok 958
193: ok 959
193: ok 960
193: ok 961
193: ok 962
193: ok 963
193: ok 964
193: ok 965
193: ok 966
193: ok 967
193: ok 968
193: ok 969
193: ok 970
193: ok 971
193: ok 972
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193: ok 974
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193: ok 976
193: ok 977
193: ok 978
193: ok 979
193: ok 980
193: ok 981
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193: ok 988
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193: ok 991
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193: ok 993
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193: ok 995
193: ok 996
193: ok 997
193: ok 998
193: ok 999
193: ok 1000
193: ok 1001
193: ok 1002
193: ok 1003
193: ok 1004
193: ok 1005
193: ok 1006
193: ok 1007
193: ok 1008
193: ok 1009
193: ok 1010
193: ok 1011
193: ok 1012
193: ok 1013
193: ok 1014
193: ok 1015
193: ok 1016
193: ok 1017
193: ok 1018
193: ok 1019
193: ok 1020
193: ok 1021
193: ok 1022
193: ok 1023
193: ok 1024
193: ok 1025
193: ok 1026
193: ok 1027
193: ok 1028
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193: ok 1054
193: ok 1055
193: ok 1056
193: ok 1057
193: ok 1058
193: ok 1059
193: ok 1060
193: ok 1061
193: ok 1062
193: ok 1063
193: ok 1064
193: ok 1065
193: ok 1066
193: ok 1067
193: ok 1068
193: ok 1069
193: ok 1070
193: ok 1071
193: ok 1072
193: ok 1073
193: ok 1074
193: ok 1075
193: ok 1076
193: ok 1077
193: ok 1078
193: ok 1079
193: ok 1080
193: ok 1081
193: ok 1082
193: ok 1083
193: ok 1084
193: ok 1085
193: ok 1086
193: ok 1087
193: ok 1088
193: ok 1089
193: ok 1090
193: ok 1091
193: ok 1092
193: ok 1093
193: ok 1094
193: ok 1095
193: ok 1096
193: ok 1097
193: ok 1098
193: ok 1099
193: ok 1100
193: ok 1101
193: ok 1102
193: ok 1103
193: ok 1104
193: ok 1105
193: ok 1106
193: ok 1107
193: ok 1108
193: ok 1109
193: ok 1110
193: ok 1111
193: ok 1112
193: ok 1113
193: ok 1114
193: ok 1115
193: ok 1116
193: ok 1117
193: ok 1118
193: ok 1119
193: ok 1120
193: ok 1121
193: ok 1122
193: ok 1123
193: ok 1124
193: ok 1125
193: ok 1126
193: ok 1127
193: ok 1128
193: ok 1129
193: ok 1130
193: ok 1131
193: ok 1132
193: ok 1133
193: ok 1134
193: ok 1135
193: ok 1136
193: ok 1137
193: ok 1138
193: ok 1139
193: ok 1140
193: ok 1141
193: ok 1142
193: ok 1143
193: ok 1144
193: ok 1145
193: ok 1146
193: ok 1147
193: ok 1148
193: ok 1149
193: ok 1150
193: ok 1151
193: ok 1152
193: ok 1153
193: ok 1154
193: ok 1155
193: ok 1156
193: ok 1157
193: ok 1158
193: ok 1159
193: ok 1160
193: ok 1161
193: ok 1162
193: ok 1163
193: ok 1164
193: ok 1165
193: ok 1166
193: ok 1167
193: ok 1168
193: ok 1169
193: ok 1170
193: ok 1171
193: ok 1172
193: ok 1173
193: ok 1174
193: ok 1175
193: ok 1176
193: ok 1177
193: ok 1178
193: ok 1179
193: ok 1180
193: ok 1181
193: ok 1182
193: ok 1183
193: ok 1184
193: ok 1185
193: ok 1186
193: ok 1187
193: ok 1188
193: ok 1189
193: ok 1190
193: ok 1191
193: ok 1192
193: ok 1193
193: ok 1194
193: ok 1195
193: ok 1196
193: ok 1197
193: ok 1198
193: ok 1199
193: ok 1200
193: ok 1201
193: ok 1202
193: ok 1203
193: ok 1204
193: ok 1205
193: ok 1206
193: ok 1207
193: ok 1208
193: ok 1209
193: ok 1210
193: ok 1211
193: ok 1212
193: ok 1213
193: ok 1214
193: ok 1215
193: ok 1216
193: ok 1217
193: ok 1218
193: ok 1219
193: ok 1220
193: ok 1221
193: ok 1222
193: ok 1223
193: ok 1224
193: ok 1225
193: ok 1226
193: ok 1227
193: ok 1228
193: ok 1229
193: ok 1230
193: ok 1231
193: ok 1232
193: ok 1233
193: ok 1234
193: ok 1235
193: ok 1236
193: ok 1237
193: ok 1238
193: ok 1239
193: ok 1240
193: ok 1241
193: ok 1242
193: ok 1243
193: ok 1244
193: ok 1245
193: ok 1246
193: ok 1247
193: ok 1248
193: ok 1249
193: ok 1250
193: ok 1251
193: ok 1252
193: ok 1253
193: ok 1254
193: ok 1255
193: ok 1256
193: ok 1257
193: ok 1258
193: ok 1259
193: ok 1260
193: ok 1261
193: ok 1262
193: ok 1263
193: ok 1264
193: ok 1265
193: ok 1266
193: ok 1267
193: ok 1268
193: ok 1269
193: ok 1270
193: ok 1271
193: ok 1272
193: ok 1273
193: ok 1274
193: ok 1275
193: ok 1276
193: ok 1277
193: ok 1278
193: ok 1279
193: ok 1280
193: ok 1281
193: ok 1282
193: ok 1283
193: ok 1284
193: ok 1285
193: ok 1286
193: ok 1287
193: ok 1288
193: ok 1289
193: ok 1290
193: ok 1291
193: ok 1292
193: ok 1293
193: ok 1294
193: ok 1295
193: ok 1296
193: ok 1297
193: ok 1298
193: ok 1299
193: ok 1300
193: ok 1301
193: ok 1302
193: ok 1303
193: ok 1304
193: ok 1305
193: ok 1306
193: ok 1307
193: ok 1308
193: ok 1309
193: ok 1310
193: ok 1311
193: ok 1312
193: ok 1313
193: ok 1314
193: ok 1315
193: ok 1316
193: ok 1317
193: ok 1318
193: ok 1319
193: ok 1320
193: ok 1321
193: ok 1322
193: ok 1323
193: ok 1324
193: ok 1325
193: ok 1326
193: ok 1327
193: ok 1328
193: ok 1329
193: ok 1330
193: ok 1331
193: ok 1332
193: ok 1333
193: ok 1334
193: ok 1335
193: ok 1336
193: ok 1337
193: ok 1338
193: ok 1339
193: ok 1340
193: ok 1341
193: ok 1342
193: ok 1343
193: ok 1344
193: ok 1345
193: ok 1346
193: ok 1347
193: ok 1348
193: ok 1349
193: ok 1350
193: ok 1351
193: ok 1352
193: ok 1353
193: ok 1354
193: ok 1355
193: ok 1356
193: ok 1357
193: ok 1358
193: ok 1359
193: ok 1360
193: ok 1361
193: ok 1362
193: ok 1363
193: ok 1364
193: ok 1365
193: ok 1366
193: ok 1367
193: ok 1368
193: ok 1369
193: ok 1370
193: ok 1371
193: ok 1372
193: ok 1373
193: ok 1374
193: ok 1375
193: ok 1376
193: ok 1377
193: ok 1378
193: ok 1379
193: ok 1380
193: ok 1381
193: ok 1382
193: ok 1383
193: ok 1384
193: ok 1385
193: ok 1386
193: ok 1387
193: ok 1388
193: ok 1389
193: ok 1390
193: ok 1391
193: ok 1392
193: ok 1393
193: ok 1394
193: ok 1395
193: ok 1396
193: ok 1397
193: ok 1398
193: ok 1399
193: ok 1400
193: ok 1401
193: ok 1402
193: ok 1403
193: ok 1404
193: ok 1405
193: ok 1406
193: ok 1407
193: ok 1408
193: ok 1409
193: ok 1410
193: ok 1411
193: ok 1412
193: ok 1413
193: ok 1414
193: ok 1415
193: ok 1416
193: ok 1417
193: ok 1418
193: ok 1419
193: ok 1420
193: ok 1421
193: ok 1422
193: ok 1423
193: ok 1424
193: ok 1425
193: ok 1426
193: ok 1427
193: ok 1428
193: ok 1429
193: ok 1430
193: ok 1431
193: ok 1432
193: ok 1433
193: ok 1434
193: ok 1435
193: ok 1436
193: ok 1437
193: ok 1438
193: ok 1439
193: ok 1440
193: ok 1441
193: ok 1442
193: ok 1443
193: ok 1444
193: ok 1445
193: ok 1446
193: ok 1447
193: ok 1448
193: ok 1449
193: ok 1450
193: ok 1451
193: ok 1452
193: ok 1453
193: ok 1454
193: ok 1455
193: ok 1456
193: ok 1457
193: ok 1458
193: ok 1459
193: ok 1460
193: ok 1461
193: ok 1462
193: ok 1463
193: ok 1464
193: ok 1465
193: ok 1466
193: ok 1467
193: ok 1468
193: ok 1469
193: ok 1470
193: ok 1471
193: ok 1472
193: ok 1473
193: ok 1474
193: ok 1475
193: ok 1476
193: ok 1477
193: ok 1478
193: ok 1479
193: ok 1480
193: ok 1481
193: ok 1482
193: ok 1483
193: ok 1484
193: ok 1485
193: ok 1486
193: ok 1487
193: ok 1488
193: ok 1489
193: ok 1490
193: ok 1491
193: ok 1492
193: ok 1493
193: ok 1494
193: ok 1495
193: ok 1496
193: ok 1497
193: ok 1498
193: ok 1499
193: ok 1500
193: ok 1501
193: ok 1502
193: ok 1503
193: ok 1504
193: ok 1505
193: ok 1506
193: ok 1507
193: ok 1508
193: ok 1509
193: ok 1510
193: ok 1511
193: ok 1512
193: ok 1513
193: ok 1514
193: ok 1515
193: ok 1516
193: ok 1517
193: ok 1518
193: ok 1519
193: ok 1520
193: ok 1521
193: ok 1522
193: ok 1523
193: ok 1524
193: ok 1525
193: ok 1526
193: ok 1527
193: ok 1528
193: ok 1529
193: ok 1530
193: ok 1531
193: ok 1532
193: ok 1533
193: ok 1534
193: ok 1535
193: ok 1536
193: ok 1537
193: ok 1538
193: ok 1539
193: ok 1540
193: ok 1541
193: ok 1542
193: ok 1543
193: ok 1544
193: ok 1545
193: ok 1546
193: ok 1547
193: ok 1548
193: ok 1549
193: ok 1550
193: ok 1551
193: ok 1552
193: ok 1553
193: ok 1554
193: ok 1555
193: ok 1556
193: ok 1557
193: ok 1558
193: ok 1559
193: ok 1560
193: ok 1561
193: ok 1562
193: ok 1563
193: ok 1564
193: ok 1565
193: ok 1566
193: ok 1567
193: ok 1568
193: ok 1569
193: ok 1570
193: ok 1571
193: ok 1572
193: ok 1573
193: ok 1574
193: ok 1575
193: ok 1576
193: ok 1577
193: ok 1578
193: ok 1579
193: ok 1580
193: ok 1581
193: ok 1582
193: ok 1583
193: ok 1584
193: ok 1585
193: ok 1586
193: ok 1587
193: ok 1588
193: ok 1589
193: ok 1590
193: ok 1591
193: ok 1592
193: ok 1593
193: ok 1594
193: ok 1595
193: ok 1596
193: ok 1597
193: ok 1598
193: ok 1599
193: ok 1600
193: ok 1601
193: ok 1602
193: ok 1603
193: ok 1604
193: ok 1605
193: ok 1606
193: ok 1607
193: ok 1608
193: ok 1609
193: ok 1610
193: ok 1611
193: ok 1612
193: ok 1613
193: ok 1614
193: ok 1615
193: ok 1616
193: ok 1617
193: ok 1618
193: ok 1619
193: ok 1620
193: ok 1621
193: ok 1622
193: ok 1623
193: ok 1624
193: ok 1625
193: ok 1626
193: ok 1627
193: ok 1628
193: ok 1629
193: ok 1630
193: ok 1631
193: ok 1632
193: ok 1633
193: ok 1634
193: ok 1635
193: ok 1636
193: ok 1637
193: ok 1638
193: ok 1639
193: ok 1640
193: ok 1641
193: ok 1642
193: ok 1643
193: ok 1644
193: ok 1645
193: ok 1646
193: ok 1647
193: ok 1648
193: ok 1649
193: ok 1650
193: ok 1651
193: ok 1652
193: ok 1653
193: ok 1654
193: ok 1655
193: ok 1656
193: ok 1657
193: ok 1658
193: ok 1659
193: ok 1660
193: ok 1661
193: ok 1662
193: ok 1663
193: ok 1664
193: ok 1665
193: ok 1666
193: ok 1667
193: ok 1668
193: ok 1669
193: ok 1670
193: ok 1671
193: ok 1672
193: ok 1673
193: ok 1674
193: ok 1675
193: ok 1676
193: ok 1677
193: ok 1678
193: ok 1679
193: ok 1680
193: ok 1681
193: ok 1682
193: ok 1683
193: ok 1684
193: ok 1685
193: ok 1686
193: ok 1687
193: ok 1688
193: ok 1689
193: ok 1690
193: ok 1691
193: ok 1692
193: ok 1693
193: ok 1694
193: ok 1695
193: ok 1696
193: ok 1697
193: ok 1698
193: ok 1699
193: ok 1700
193: ok 1701
193: ok 1702
193: ok 1703
193: ok 1704
193: ok 1705
193: ok 1706
193: ok 1707
193: ok 1708
193: ok 1709
193: ok 1710
193: ok 1711
193: ok 1712
193: ok 1713
193: ok 1714
193: ok 1715
193: ok 1716
193: ok 1717
193: ok 1718
193: ok 1719
193: ok 1720
193: ok 1721
193: ok 1722
193: ok 1723
193: ok 1724
193: ok 1725
193: ok 1726
193: ok 1727
193: ok 1728
193: ok 1729
193: ok 1730
193: ok 1731
193: ok 1732
193: ok 1733
193: ok 1734
193: ok 1735
193: ok 1736
193: ok 1737
193: ok 1738
193: ok 1739
193: ok 1740
193: ok 1741
193: ok 1742
193: ok 1743
193: ok 1744
193: ok 1745
193: ok 1746
193: ok 1747
193: ok 1748
193: ok 1749
193: ok 1750
193: ok 1751
193: ok 1752
193: ok 1753
193: ok 1754
193: ok 1755
193: ok 1756
193: ok 1757
193: ok 1758
193: ok 1759
193: ok 1760
193: ok 1761
193: ok 1762
193: ok 1763
193: ok 1764
193: ok 1765
193: ok 1766
193: ok 1767
193: ok 1768
193: ok 1769
193: ok 1770
193: ok 1771
193: ok 1772
193: ok 1773
193: ok 1774
193: ok 1775
193: ok 1776
193: ok 1777
193: ok 1778
193: ok 1779
193: ok 1780
193: ok 1781
193: ok 1782
193: ok 1783
193: ok 1784
193: ok 1785
193: ok 1786
193: ok 1787
193: ok 1788
193: ok 1789
193: ok 1790
193: ok 1791
193: ok 1792
193: ok 1793
193: ok 1794
193: ok 1795
193: ok 1796
193: ok 1797
193: ok 1798
193: ok 1799
193: ok 1800
193: ok 1801
193: ok 1802
193: ok 1803
193: ok 1804
193: ok 1805
193: ok 1806
193: ok 1807
193: ok 1808
193: ok 1809
193: ok 1810
193: ok 1811
193: ok 1812
193: ok 1813
193: ok 1814
193: ok 1815
193: ok 1816
193: ok 1817
193: ok 1818
193: ok 1819
193: ok 1820
193: ok 1821
193: ok 1822
193: ok 1823
193: ok 1824
193: ok 1825
193: ok 1826
193: ok 1827
193: ok 1828
193: ok 1829
193: ok 1830
193: ok 1831
193: ok 1832
193: ok 1833
193: ok 1834
193: ok 1835
193: ok 1836
193: ok 1837
193: ok 1838
193: ok 1839
193: ok 1840
193: ok 1841
193: ok 1842
193: ok 1843
193: ok 1844
193: ok 1845
193: ok 1846
193: ok 1847
193: ok 1848
193: ok 1849
193: ok 1850
193: ok 1851
193: ok 1852
193: ok 1853
193: ok 1854
193: ok 1855
193: ok 1856
193: ok 1857
193: ok 1858
193: ok 1859
193: ok 1860
193: ok 1861
193: ok 1862
193: ok 1863
193: ok 1864
193: ok 1865
193: ok 1866
193: ok 1867
193: ok 1868
193: ok 1869
193: ok 1870
193: ok 1871
193: ok 1872
193: ok 1873
193: ok 1874
193: ok 1875
193: ok 1876
193: ok 1877
193: ok 1878
193: ok 1879
193: ok 1880
193: ok 1881
193: ok 1882
193: ok 1883
193: ok 1884
193: ok 1885
193: ok 1886
193: ok 1887
193: ok 1888
193: ok 1889
193: ok 1890
193: ok 1891
193: ok 1892
193: ok 1893
193: ok 1894
193: ok 1895
193: ok 1896
193: ok 1897
193: ok 1898
193: ok 1899
193: ok 1900
193: ok 1901
193: ok 1902
193: ok 1903
193: ok 1904
193: ok 1905
193: ok 1906
193: ok 1907
193: ok 1908
193: ok 1909
193: ok 1910
193: ok 1911
193: ok 1912
193: ok 1913
193: ok 1914
193: ok 1915
193: ok 1916
193: ok 1917
193: ok 1918
193: ok 1919
193: ok 1920
193: ok 1921
193: ok 1922
193: ok 1923
193: ok 1924
193: ok 1925
193: ok 1926
193: ok 1927
193: ok 1928
193: ok 1929
193: ok 1930
193: ok 1931
193: ok 1932
193: ok 1933
193: ok 1934
193: ok 1935
193: ok 1936
193: ok 1937
193: ok 1938
193: ok 1939
193: ok 1940
193: ok 1941
193: ok 1942
193: ok 1943
193: ok 1944
193: ok 1945
193: ok 1946
193: ok 1947
193: ok 1948
193: ok 1949
193: ok 1950
193: ok 1951
193: ok 1952
193: ok 1953
193: ok 1954
193: ok 1955
193: ok 1956
193: ok 1957
193: ok 1958
193: ok 1959
193: ok 1960
193: ok 1961
193: ok 1962
193: ok 1963
193: ok 1964
193: ok 1965
193: ok 1966
193: ok 1967
193: ok 1968
193: ok 1969
193: ok 1970
193: ok 1971
193: ok 1972
193: ok 1973
193: ok 1974
193: ok 1975
193: ok 1976
193: ok 1977
193: ok 1978
193: ok 1979
193: ok 1980
193: ok 1981
193: ok 1982
193: ok 1983
193: ok 1984
193: ok 1985
193: ok 1986
193: ok 1987
193: ok 1988
193: ok 1989
193: ok 1990
193: ok 1991
193: ok 1992
193: ok 1993
193: ok 1994
193: ok 1995
193: ok 1996
193: ok 1997
193: ok 1998
193: ok 1999
193: ok 2000
193: ok 2001
193: ok 2002
193: ok 2003
193: ok 2004
193: ok 2005
193: ok 2006
193: ok 2007
193: ok 2008
193: ok 2009
193: ok 2010
193: ok 2011
193: ok 2012
193: ok 2013
193: ok 2014
193: ok 2015
193: ok 2016
193: ok 2017
193: ok 2018
193: ok 2019
193: ok 2020
193: ok 2021
193: ok 2022
193: ok 2023
193: ok 2024
193: ok 2025
193: ok 2026
193: ok 2027
193: ok 2028
193: ok 2029
193: ok 2030
193: ok 2031
193: ok 2032
193: ok 2033
193: ok 2034
193: ok 2035
193: ok 2036
193: ok 2037
193: ok 2038
193: ok 2039
193: ok 2040
193: ok 2041
193: ok 2042
193: ok 2043
193: ok 2044
193: ok 2045
193: ok 2046
193: ok 2047
193: ok 2048
193: ok 2049
193: ok 2050
193: ok 2051
193: ok 2052
193: ok 2053
193: ok 2054
193: ok 2055
193: ok 2056
193: ok 2057
193: ok 2058
193: ok 2059
193: ok 2060
193: ok 2061
193: ok 2062
193: ok 2063
193: ok 2064
193: ok 2065
193: ok 2066
193: ok 2067
193: ok 2068
193: ok 2069
193: ok 2070
193: ok 2071
193: ok 2072
193: ok 2073
193: ok 2074
193: ok 2075
193: ok 2076
193: ok 2077
193: ok 2078
193: ok 2079
193: ok 2080
193: ok 2081
193: ok 2082
193: ok 2083
193: ok 2084
193: ok 2085
193: ok 2086
193: ok 2087
193: ok 2088
193: ok 2089
193: ok 2090
193: ok 2091
193: ok 2092
193: ok 2093
193: ok 2094
193: ok 2095
193: ok 2096
193: ok 2097
193: ok 2098
193: ok 2099
193: ok 2100
193: ok 2101
193: ok 2102
193: ok 2103
193: ok 2104
193: ok 2105
193: ok 2106
193: ok 2107
193: ok 2108
193: ok 2109
193: ok 2110
193: ok 2111
193: ok 2112
193: ok 2113
193: ok 2114
193: ok 2115
193: ok 2116
193: ok 2117
193: ok 2118
193: ok 2119
193: ok 2120
193: ok 2121
193: ok 2122
193: ok 2123
193: ok 2124
193: ok 2125
193: ok 2126
193: ok 2127
193: ok 2128
193: ok 2129
193: ok 2130
193: ok 2131
193: ok 2132
193: ok 2133
193: ok 2134
193: ok 2135
193: ok 2136
193: ok 2137
193: ok 2138
193: ok 2139
193: ok 2140
193: ok 2141
193: ok 2142
193: ok 2143
193: ok 2144
193: ok 2145
193: ok 2146
193: ok 2147
193: ok 2148
193: ok 2149
193: ok 2150
193: ok 2151
193: ok 2152
193: ok 2153
193: ok 2154
193: ok 2155
193: ok 2156
193: ok 2157
193: ok 2158
193: ok 2159
193: ok 2160
193: ok 2161
193: ok 2162
193: ok 2163
193: ok 2164
193: ok 2165
193: ok 2166
193: ok 2167
193: ok 2168
193: ok 2169
193: ok 2170
193: ok 2171
193: ok 2172
193: ok 2173
193: ok 2174
193: ok 2175
193: ok 2176
193: ok 2177
193: ok 2178
193: ok 2179
193: ok 2180
193: ok 2181
193: ok 2182
193: ok 2183
193: ok 2184
193: ok 2185
193: ok 2186
193: ok 2187
193: ok 2188
193: ok 2189
193: ok 2190
193: ok 2191
193: ok 2192
193: ok 2193
193: ok 2194
193: ok 2195
193: ok 2196
193: ok 2197
193: ok 2198
193: ok 2199
193: ok 2200
193: ok 2201
193: ok 2202
193: ok 2203
193: ok 2204
193: ok 2205
193: ok 2206
193: ok 2207
193: ok 2208
193: ok 2209
193: ok 2210
193: ok 2211
193: ok 2212
193: ok 2213
193: ok 2214
193: ok 2215
193: ok 2216
193: ok 2217
193: ok 2218
193: ok 2219
193: ok 2220
193: ok 2221
193: ok 2222
193: ok 2223
193: ok 2224
193: ok 2225
193: ok 2226
193: ok 2227
193: ok 2228
193: ok 2229
193: ok 2230
193: ok 2231
193: ok 2232
193: ok 2233
193: ok 2234
193: ok 2235
193: ok 2236
193: ok 2237
193: ok 2238
193: ok 2239
193: ok 2240
193: ok 2241
193: ok 2242
193: ok 2243
193: ok 2244
193: ok 2245
193: ok 2246
193: ok 2247
193: ok 2248
193: ok 2249
193: ok 2250
193: ok 2251
193: ok 2252
193: ok 2253
193: ok 2254
193: ok 2255
193: ok 2256
193: ok 2257
193: ok 2258
193: ok 2259
193: ok 2260
193: ok 2261
193: ok 2262
193: ok 2263
193: ok 2264
193: ok 2265
193: ok 2266
193: ok 2267
193: ok 2268
193: ok 2269
193: ok 2270
193: ok 2271
193: ok 2272
193: ok 2273
193: ok 2274
193: ok 2275
193: ok 2276
193: ok 2277
193: ok 2278
193: ok 2279
193: ok 2280
193: ok 2281
193: ok 2282
193: ok 2283
193: ok 2284
193: ok 2285
193: ok 2286
193: ok 2287
193: ok 2288
193: ok 2289
193: ok 2290
193: ok 2291
193: ok 2292
193: ok 2293
193: ok 2294
193: ok 2295
193: ok 2296
193: ok 2297
193: ok 2298
193: ok 2299
193: ok 2300
193: ok 2301
193: ok 2302
193: ok 2303
193: ok 2304
193: ok 2305
193: ok 2306
193: ok 2307
193: ok 2308
193: ok 2309
193: ok 2310
193: ok 2311
193: ok 2312
193: ok 2313
193: ok 2314
193: ok 2315
193: ok 2316
193: ok 2317
193: ok 2318
193: ok 2319
193: ok 2320
193: ok 2321
193: ok 2322
193: ok 2323
193: ok 2324
193: ok 2325
193: ok 2326
193: ok 2327
193: ok 2328
193: ok 2329
193: ok 2330
193: ok 2331
193: ok 2332
193: ok 2333
193: ok 2334
193: ok 2335
193: ok 2336
193: ok 2337
193: ok 2338
193: ok 2339
193: ok 2340
193: ok 2341
193: ok 2342
193: ok 2343
193: ok 2344
193: ok 2345
193: ok 2346
193: ok 2347
193: ok 2348
193: ok 2349
193: ok 2350
193: ok 2351
193: ok 2352
193: ok 2353
193: ok 2354
193: ok 2355
193: ok 2356
193: ok 2357
193: ok 2358
193: ok 2359
193: ok 2360
193: ok 2361
193: ok 2362
193: ok 2363
193: ok 2364
193: ok 2365
193: ok 2366
193: ok 2367
193: ok 2368
193: ok 2369
193: ok 2370
193: ok 2371
193: ok 2372
193: ok 2373
193: ok 2374
193: ok 2375
193: ok 2376
193: ok 2377
193: ok 2378
193: ok 2379
193: ok 2380
193: ok 2381
193: ok 2382
193: ok 2383
193: ok 2384
193: ok 2385
193: ok 2386
193: ok 2387
193: ok 2388
193: ok 2389
193: ok 2390
193: ok 2391
193: ok 2392
193: ok 2393
193: ok 2394
193: ok 2395
193: ok 2396
193: ok 2397
193: ok 2398
193: ok 2399
193: ok 2400
193: ok 2401
193: ok 2402
193: ok 2403
193: ok 2404
193: ok 2405
193: ok 2406
193: ok 2407
193: ok 2408
193: ok 2409
193: ok 2410
193: ok 2411
193: ok 2412
193: ok 2413
193: ok 2414
193: ok 2415
193: ok 2416
193: ok 2417
193: ok 2418
193: ok 2419
193: ok 2420
193: ok 2421
193: ok 2422
193: ok 2423
193: ok 2424
193: ok 2425
193: ok 2426
193: ok 2427
193: ok 2428
193: ok 2429
193: ok 2430
193: ok 2431
193: ok 2432
193: ok 2433
193: ok 2434
193: ok 2435
193: ok 2436
193: ok 2437
193: ok 2438
193: ok 2439
193: ok 2440
193: ok 2441
193: ok 2442
193: ok 2443
193: ok 2444
193: ok 2445
193: ok 2446
193: ok 2447
193: ok 2448
193: ok 2449
193: ok 2450
193: ok 2451
193: ok 2452
193: ok 2453
193: ok 2454
193: ok 2455
193: ok 2456
193: ok 2457
193: ok 2458
193: ok 2459
193: ok 2460
193: ok 2461
193: ok 2462
193: ok 2463
193: ok 2464
193: ok 2465
193: ok 2466
193: ok 2467
193: ok 2468
193: ok 2469
193: ok 2470
193: ok 2471
193: ok 2472
193: ok 2473
193: ok 2474
193: ok 2475
193: ok 2476
193: ok 2477
193: ok 2478
193: ok 2479
193: ok 2480
193: ok 2481
193: ok 2482
193: ok 2483
193: ok 2484
193: ok 2485
193: ok 2486
193: ok 2487
193: ok 2488
193: ok 2489
193: ok 2490
193: ok 2491
193: ok 2492
193: ok 2493
193: ok 2494
193: ok 2495
193: ok 2496
193: ok 2497
193: ok 2498
193: ok 2499
193: ok 2500
193: ok 2501
193: ok 2502
193: ok 2503
193: ok 2504
193: ok 2505
193: ok 2506
193: ok 2507
193: ok 2508
193: ok 2509
193: ok 2510
193: ok 2511
193: ok 2512
193: ok 2513
193: ok 2514
193: ok 2515
193: ok 2516
193: ok 2517
193: ok 2518
193: ok 2519
193: ok 2520
193: ok 2521
193: ok 2522
193: ok 2523
193: ok 2524
193: ok 2525
193: ok 2526
193: ok 2527
193: ok 2528
193: ok 2529
193: ok 2530
193: ok 2531
193: ok 2532
193: ok 2533
193: ok 2534
193: ok 2535
193: ok 2536
193: ok 2537
193: ok 2538
193: ok 2539
193: ok 2540
193: ok 2541
193: ok 2542
193: ok 2543
193: ok 2544
193: ok 2545
193: ok 2546
193: ok 2547
193: ok 2548
193: ok 2549
193: ok 2550
193: ok 2551
193: ok 2552
193: ok 2553
193: ok 2554
193: ok 2555
193: ok 2556
193: ok 2557
193: ok 2558
193: ok 2559
193: ok 2560
193: ok 2561
193: ok 2562
193: ok 2563
193: ok 2564
193: ok 2565
193: ok 2566
193: ok 2567
193: ok 2568
193: ok 2569
193: ok 2570
193: ok 2571
193: ok 2572
193: ok 2573
193: ok 2574
193: ok 2575
193: ok 2576
193: ok 2577
193: ok 2578
193: ok 2579
193: ok 2580
193: ok 2581
193: ok 2582
193: ok 2583
193: ok 2584
193: ok 2585
193: ok 2586
193: ok 2587
193: ok 2588
193: ok 2589
193: ok 2590
193: ok 2591
193: ok 2592
193: ok 2593
193: ok 2594
193: ok 2595
193: ok 2596
193: ok 2597
193: ok 2598
193: ok 2599
193: ok 2600
193: ok 2601
193: ok 2602
193: ok 2603
193: ok 2604
193: ok 2605
193: ok 2606
193: ok 2607
193: ok 2608
193: ok 2609
193: ok 2610
193: ok 2611
193: ok 2612
193: ok 2613
193: ok 2614
193: ok 2615
193: ok 2616
193: ok 2617
193: ok 2618
193: ok 2619
193: ok 2620
193: ok 2621
193: ok 2622
193: ok 2623
193: ok 2624
193: ok 2625
193: ok 2626
193: ok 2627
193: ok 2628
193: ok 2629
193: ok 2630
193: ok 2631
193: ok 2632
193: ok 2633
193: ok 2634
193: ok 2635
193: ok 2636
193: ok 2637
193: ok 2638
193: ok 2639
193: ok 2640
193: ok 2641
193: ok 2642
193: ok 2643
193: ok 2644
193: ok 2645
193: ok 2646
193: ok 2647
193: ok 2648
193: ok 2649
193: ok 2650
193: ok 2651
193: ok 2652
193: ok 2653
193: ok 2654
193: ok 2655
193: ok 2656
193: ok 2657
193: ok 2658
193: ok 2659
193: ok 2660
193: ok 2661
193: ok 2662
193: ok 2663
193: ok 2664
193: ok 2665
193: ok 2666
193: ok 2667
193: ok 2668
193: ok 2669
193: ok 2670
193: ok 2671
193: ok 2672
193: ok 2673
193: ok 2674
193: ok 2675
193: ok 2676
193: ok 2677
193: ok 2678
193: ok 2679
193: ok 2680
193: ok 2681
193: ok 2682
193: ok 2683
193: ok 2684
193: ok 2685
193: ok 2686
193: ok 2687
193: ok 2688
193: ok 2689
193: ok 2690
193: ok 2691
193: ok 2692
193: ok 2693
193: ok 2694
193: ok 2695
193: ok 2696
193: ok 2697
193: ok 2698
193: ok 2699
193: ok 2700
193: ok 2701
193: ok 2702
193: ok 2703
193: ok 2704
193: ok 2705
193: ok 2706
193: ok 2707
193: ok 2708
193: ok 2709
193: ok 2710
193: ok 2711
193: ok 2712
193: ok 2713
193: ok 2714
193: ok 2715
193: ok 2716
193: ok 2717
193: ok 2718
193: ok 2719
193: ok 2720
193: ok 2721
193: ok 2722
193: ok 2723
193: ok 2724
193: ok 2725
193: ok 2726
193: ok 2727
193: ok 2728
193: ok 2729
193: ok 2730
193: ok 2731
193: ok 2732
193: ok 2733
193: ok 2734
193: ok 2735
193: ok 2736
193: ok 2737
193: ok 2738
193: ok 2739
193: ok 2740
193: ok 2741
193: ok 2742
193: ok 2743
193: ok 2744
193: ok 2745
193: ok 2746
193: ok 2747
193: ok 2748
193: ok 2749
193: ok 2750
193: ok 2751
193: ok 2752
193: ok 2753
193: ok 2754
193: ok 2755
193: ok 2756
193: ok 2757
193: ok 2758
193: ok 2759
193: ok 2760
193: ok 2761
193: ok 2762
193: ok 2763
193: ok 2764
193: ok 2765
193: ok 2766
193: ok 2767
193: ok 2768
193: ok 2769
193: ok 2770
193: ok 2771
193: ok 2772
193: ok 2773
193: ok 2774
193: ok 2775
193: ok 2776
193: ok 2777
193: ok 2778
193: ok 2779
193: ok 2780
193: ok 2781
193: ok 2782
193: ok 2783
193: ok 2784
193: ok 2785
193: ok 2786
193: ok 2787
193: ok 2788
193: ok 2789
193: ok 2790
193: ok 2791
193: ok 2792
193: ok 2793
193: ok 2794
193: ok 2795
193: ok 2796
193: ok 2797
193: ok 2798
193: ok 2799
193: ok 2800
193: ok 2801
193: ok 2802
193: ok 2803
193: ok 2804
193: ok 2805
193: ok 2806
193: ok 2807
193: ok 2808
193: ok 2809
193: ok 2810
193: ok 2811
193: ok 2812
193: ok 2813
193: ok 2814
193: ok 2815
193: ok 2816
193: ok 2817
193: ok 2818
193: ok 2819
193: ok 2820
193: ok 2821
193: ok 2822
193: ok 2823
193: ok 2824
193: ok 2825
193: ok 2826
193: ok 2827
193: ok 2828
193: ok 2829
193: ok 2830
193: ok 2831
193: ok 2832
193: ok 2833
193: ok 2834
193: ok 2835
193: ok 2836
193: ok 2837
193: ok 2838
193: ok 2839
193: ok 2840
193: ok 2841
193: ok 2842
193: ok 2843
193: ok 2844
193: ok 2845
193: ok 2846
193: ok 2847
193: ok 2848
193: ok 2849
193: ok 2850
193: ok 2851
193: ok 2852
193: ok 2853
193: ok 2854
193: ok 2855
193: ok 2856
193: ok 2857
193: ok 2858
193: ok 2859
193: ok 2860
193: ok 2861
193: ok 2862
193: ok 2863
193: ok 2864
193: ok 2865
193: ok 2866
193: ok 2867
193: ok 2868
193: ok 2869
193: ok 2870
193: ok 2871
193: ok 2872
193: ok 2873
193: ok 2874
193: ok 2875
193: ok 2876
193: ok 2877
193: ok 2878
193: ok 2879
193: ok 2880
193: ok 2881
193: ok 2882
193: ok 2883
193: ok 2884
193: ok 2885
193: ok 2886
193: ok 2887
193: ok 2888
193: ok 2889
193: ok 2890
193: ok 2891
193: ok 2892
193: ok 2893
193: ok 2894
193: ok 2895
193: ok 2896
193: ok 2897
193: ok 2898
193: ok 2899
193: ok 2900
193: ok 2901
193: ok 2902
193: ok 2903
193: ok 2904
193: ok 2905
193: ok 2906
193: ok 2907
193: ok 2908
193: ok 2909
193: ok 2910
193: ok 2911
193: ok 2912
193: ok 2913
193: ok 2914
193: ok 2915
193: ok 2916
193: ok 2917
193: ok 2918
193: ok 2919
193: ok 2920
193: ok 2921
193: ok 2922
193: ok 2923
193: ok 2924
193: ok 2925
193: ok 2926
193: ok 2927
193: ok 2928
193: ok 2929
193: ok 2930
193: ok 2931
193: ok 2932
193: ok 2933
193: ok 2934
193: ok 2935
193: ok 2936
193: ok 2937
193: ok 2938
193: ok 2939
193: ok 2940
193: ok 2941
193: ok 2942
193: ok 2943
193: ok 2944
193: ok 2945
193: ok 2946
193: ok 2947
193: ok 2948
193: ok 2949
193: ok 2950
193: ok 2951
193: ok 2952
193: ok 2953
193: ok 2954
193: ok 2955
193: ok 2956
193: ok 2957
193: ok 2958
193: ok 2959
193: ok 2960
193: ok 2961
193: ok 2962
193: ok 2963
193: ok 2964
193: ok 2965
193: ok 2966
193: ok 2967
193: ok 2968
193: ok 2969
193: ok 2970
193: ok 2971
193: ok 2972
193: ok 2973
193: ok 2974
193: ok 2975
193: ok 2976
193: ok 2977
193: ok 2978
193: ok 2979
193: ok 2980
193: ok 2981
193: ok 2982
193: ok 2983
193: ok 2984
193: ok 2985
193: ok 2986
193: ok 2987
193: ok 2988
193: ok 2989
193: ok 2990
193: ok 2991
193: ok 2992
193: ok 2993
193: ok 2994
193: ok 2995
193: ok 2996
193: ok 2997
193: ok 2998
193: ok 2999
193: ok 3000
193: ok 3001
193: ok 3002
193: ok 3003
193: ok 3004
193: ok 3005
193: ok 3006
193: ok 3007
193: ok 3008
193: ok 3009
193: ok 3010
193: ok 3011
193: ok 3012
193: ok 3013
193: ok 3014
193: ok 3015
193: ok 3016
193: ok 3017
193: ok 3018
193: ok 3019
193: ok 3020
193: ok 3021
193: ok 3022
193: ok 3023
193: ok 3024
193: ok 3025
193: ok 3026
193: ok 3027
193: ok 3028
193: ok 3029
193: ok 3030
193: ok 3031
193: ok 3032
193: ok 3033
193: ok 3034
193: ok 3035
193: ok 3036
193: ok 3037
193: ok 3038
193: ok 3039
193: ok 3040
193: ok 3041
193: ok 3042
193: ok 3043
193: ok 3044
193: ok 3045
193: ok 3046
193: ok 3047
193: ok 3048
193: ok 3049
193: ok 3050
193: ok 3051
193: ok 3052
193: ok 3053
193: ok 3054
193: ok 3055
193: ok 3056
193: ok 3057
193: ok 3058
193: ok 3059
193: ok 3060
193: ok 3061
193: ok 3062
193: ok 3063
193: ok 3064
193: ok 3065
193: ok 3066
193: ok 3067
193: ok 3068
193: ok 3069
193: ok 3070
193: ok 3071
193: ok 3072
193: ok 3073
193: ok 3074
193: ok 3075
193: ok 3076
193: ok 3077
193: ok 3078
193: ok 3079
193: ok 3080
193: ok 3081
193: ok 3082
193: ok 3083
193: ok 3084
193: ok 3085
193: ok 3086
193: ok 3087
193: ok 3088
193: ok 3089
193: ok 3090
193: ok 3091
193: ok 3092
193: ok 3093
193: ok 3094
193: ok 3095
193: ok 3096
193: ok 3097
193: ok 3098
193: ok 3099
193: ok 3100
193: ok 3101
193: ok 3102
193: ok 3103
193: ok 3104
193: ok 3105
193: ok 3106
193: ok 3107
193: ok 3108
193: ok 3109
193: ok 3110
193: ok 3111
193: ok 3112
193: ok 3113
193: ok 3114
193: ok 3115
193: ok 3116
193: ok 3117
193: ok 3118
193: ok 3119
193: ok 3120
193: ok 3121
193: ok 3122
193: ok 3123
193: ok 3124
193: ok 3125
193: ok 3126
193: ok 3127
193: ok 3128
193: ok 3129
193: ok 3130
193: ok 3131
193: ok 3132
193: ok 3133
193: ok 3134
193: ok 3135
193: ok 3136
193: ok 3137
193: ok 3138
193: ok 3139
193: ok 3140
193: ok 3141
193: ok 3142
193: ok 3143
193: ok 3144
193: ok 3145
193: ok 3146
193: ok 3147
193: ok 3148
193: ok 3149
193: ok 3150
193: ok 3151
193: ok 3152
193: ok 3153
193: ok 3154
193: ok 3155
193: ok 3156
193: ok 3157
193: ok 3158
193: ok 3159
193: ok 3160
193: ok 3161
193: ok 3162
193: ok 3163
193: ok 3164
193: ok 3165
193: ok 3166
193: ok 3167
193: ok 3168
193: ok 3169
193: ok 3170
193: ok 3171
193: ok 3172
193: ok 3173
193: ok 3174
193: ok 3175
193: ok 3176
193: ok 3177
193: ok 3178
193: ok 3179
193: ok 3180
193: ok 3181
193: ok 3182
193: ok 3183
193: ok 3184
193: ok 3185
193: ok 3186
193: ok 3187
193: ok 3188
193: ok 3189
193: ok 3190
193: ok 3191
193: ok 3192
193: ok 3193
193: ok 3194
193: ok 3195
193: ok 3196
193: ok 3197
193: ok 3198
193: ok 3199
193: ok 3200
193: ok 3201
193: ok 3202
193: ok 3203
193: ok 3204
193: ok 3205
193: ok 3206
193: ok 3207
193: ok 3208
193: ok 3209
193: ok 3210
193: ok 3211
193: ok 3212
193: ok 3213
193: ok 3214
193: ok 3215
193: ok 3216
193: ok 3217
193: ok 3218
193: ok 3219
193: ok 3220
193: ok 3221
193: ok 3222
193: ok 3223
193: ok 3224
193: ok 3225
193: ok 3226
193: ok 3227
193: ok 3228
193: ok 3229
193: ok 3230
193: ok 3231
193: ok 3232
193: ok 3233
193: ok 3234
193: ok 3235
193: ok 3236
193: ok 3237
193: ok 3238
193: ok 3239
193: ok 3240
193: ok 3241
193: ok 3242
193: ok 3243
193: ok 3244
193: ok 3245
193: ok 3246
193: ok 3247
193: ok 3248
193: ok 3249
193: ok 3250
193: ok 3251
193: ok 3252
193: ok 3253
193: ok 3254
193: ok 3255
193: ok 3256
193: ok 3257
193: ok 3258
193: ok 3259
193: ok 3260
193: ok 3261
193: ok 3262
193: ok 3263
193: ok 3264
193: ok 3265
193: ok 3266
193: ok 3267
193: ok 3268
193: ok 3269
193: ok 3270
193: ok 3271
193: ok 3272
193: ok 3273
193: ok 3274
193: ok 3275
193: ok 3276
193: ok 3277
193: ok 3278
193: ok 3279
193: ok 3280
193: ok 3281
193: ok 3282
193: ok 3283
193: ok 3284
193: ok 3285
193: ok 3286
193: ok 3287
193: ok 3288
193: ok 3289
193: ok 3290
193: ok 3291
193: ok 3292
193: ok 3293
193: ok 3294
193: ok 3295
193: ok 3296
193: ok 3297
193: ok 3298
193: ok 3299
193: ok 3300
193: ok 3301
193: ok 3302
193: ok 3303
193: ok 3304
193: ok 3305
193: ok 3306
193: ok 3307
193: ok 3308
193: ok 3309
193: ok 3310
193: ok 3311
193: ok 3312
193: ok 3313
193: ok 3314
193: ok 3315
193: ok 3316
193: ok 3317
193: ok 3318
193: ok 3319
193: ok 3320
193: ok 3321
193: ok 3322
193: ok 3323
193: ok 3324
193: ok 3325
193: ok 3326
193: ok 3327
193: ok 3328
193: ok 3329
193: ok 3330
193: ok 3331
193: ok 3332
193: ok 3333
193: ok 3334
193: ok 3335
193: ok 3336
193: ok 3337
193: ok 3338
193: ok 3339
193: ok 3340
193: ok 3341
193: ok 3342
193: ok 3343
193: ok 3344
193: ok 3345
193: ok 3346
193: ok 3347
193: ok 3348
193: ok 3349
193: ok 3350
193: ok 3351
193: ok 3352
193: ok 3353
193: ok 3354
193: ok 3355
193: ok 3356
193: ok 3357
193: ok 3358
193: ok 3359
193: ok 3360
193: ok 3361
193: ok 3362
193: ok 3363
193: ok 3364
193: ok 3365
193: ok 3366
193: ok 3367
193: ok 3368
193: ok 3369
193: ok 3370
193: ok 3371
193: ok 3372
193: ok 3373
193: ok 3374
193: ok 3375
193: ok 3376
193: ok 3377
193: ok 3378
193: ok 3379
193: ok 3380
193: ok 3381
193: ok 3382
193: ok 3383
193: ok 3384
193: ok 3385
193: ok 3386
193: ok 3387
193: ok 3388
193: ok 3389
193: ok 3390
193: ok 3391
193: ok 3392
193: ok 3393
193: ok 3394
193: ok 3395
193: ok 3396
193: ok 3397
193: ok 3398
193: ok 3399
193: ok 3400
193: ok 3401
193: ok 3402
193: ok 3403
193: ok 3404
193: ok 3405
193: ok 3406
193: ok 3407
193: ok 3408
193: ok 3409
193: ok 3410
193: ok 3411
193: ok 3412
193: ok 3413
193: ok 3414
193: ok 3415
193: ok 3416
193: ok 3417
193: ok 3418
193: ok 3419
193: ok 3420
193: ok 3421
193: ok 3422
193: ok 3423
193: ok 3424
193: ok 3425
193: ok 3426
193: ok 3427
193: ok 3428
193: ok 3429
193: ok 3430
193: ok 3431
193: ok 3432
193: ok 3433
193: ok 3434
193: ok 3435
193: ok 3436
193: ok 3437
193: ok 3438
193: ok 3439
193: ok 3440
193: ok 3441
193: ok 3442
193: ok 3443
193: ok 3444
193: ok 3445
193: ok 3446
193: ok 3447
193: ok 3448
193: ok 3449
193: ok 3450
193: ok 3451
193: ok 3452
193: ok 3453
193: ok 3454
193: ok 3455
193: ok 3456
193: ok 3457
193: ok 3458
193: ok 3459
193: ok 3460
193: ok 3461
193: ok 3462
193: ok 3463
193: ok 3464
193: ok 3465
193: ok 3466
193: ok 3467
193: ok 3468
193: ok 3469
193: ok 3470
193: ok 3471
193: ok 3472
193: ok 3473
193: ok 3474
193: ok 3475
193: ok 3476
193: ok 3477
193: ok 3478
193: ok 3479
193: ok 3480
193: ok 3481
193: ok 3482
193: ok 3483
193: ok 3484
193: ok 3485
193: ok 3486
193: ok 3487
193: ok 3488
193: ok 3489
193: ok 3490
193: ok 3491
193: ok 3492
193: ok 3493
193: ok 3494
193: ok 3495
193: ok 3496
193: ok 3497
193: ok 3498
193: ok 3499
193: ok 3500
193: ok 3501
193: ok 3502
193: ok 3503
193: ok 3504
193: ok 3505
193: ok 3506
193: ok 3507
193: ok 3508
193: ok 3509
193: ok 3510
193: ok 3511
193: ok 3512
193: ok 3513
193: ok 3514
193: ok 3515
193: ok 3516
193: ok 3517
193: ok 3518
193: ok 3519
193: ok 3520
193: ok 3521
193: ok 3522
193: ok 3523
193: ok 3524
193: ok 3525
193: ok 3526
193: ok 3527
193: ok 3528
193: ok 3529
193: ok 3530
193: ok 3531
193: ok 3532
193: ok 3533
193: ok 3534
193: ok 3535
193: ok 3536
193: ok 3537
193: ok 3538
193: ok 3539
193: ok 3540
193: ok 3541
193: ok 3542
193: ok 3543
193: ok 3544
193: ok 3545
193: ok 3546
193: ok 3547
193: ok 3548
193: ok 3549
193: ok 3550
193: ok 3551
193: ok 3552
193: ok 3553
193: ok 3554
193: ok 3555
193: ok 3556
193: ok 3557
193: ok 3558
193: ok 3559
193: ok 3560
193: ok 3561
193: ok 3562
193: ok 3563
193: ok 3564
193: ok 3565
193: ok 3566
193: ok 3567
193: ok 3568
193: ok 3569
193: ok 3570
193: ok 3571
193: ok 3572
193: ok 3573
193: ok 3574
193: ok 3575
193: ok 3576
193: ok 3577
193: ok 3578
193: ok 3579
193: ok 3580
193: ok 3581
193: ok 3582
193: ok 3583
193: ok 3584
193: ok 3585
193: ok 3586
193: ok 3587
193: ok 3588
193: ok 3589
193: ok 3590
193: ok 3591
193: ok 3592
193: ok 3593
193: ok 3594
193: ok 3595
193: ok 3596
193: ok 3597
193: ok 3598
193: ok 3599
193: ok 3600
193: ok 3601
193: ok 3602
193: ok 3603
193: ok 3604
193: ok 3605
193: ok 3606
193: ok 3607
193: ok 3608
193: ok 3609
193: ok 3610
193: ok 3611
193: ok 3612
193: ok 3613
193: ok 3614
193: ok 3615
193: ok 3616
193: ok 3617
193: ok 3618
193: ok 3619
193: ok 3620
193: ok 3621
193: ok 3622
193: ok 3623
193: ok 3624
193: ok 3625
193: ok 3626
193: ok 3627
193: ok 3628
193: ok 3629
193: ok 3630
193: ok 3631
193: ok 3632
193: ok 3633
193: ok 3634
193: ok 3635
193: ok 3636
193: ok 3637
193: ok 3638
193: ok 3639
193: ok 3640
193: ok 3641
193: ok 3642
193: ok 3643
193: ok 3644
193: ok 3645
193: ok 3646
193: ok 3647
193: ok 3648
193: ok 3649
193: ok 3650
193: ok 3651
193: ok 3652
193: ok 3653
193: ok 3654
193: ok 3655
193: ok 3656
193: ok 3657
193: ok 3658
193: ok 3659
193: ok 3660
193: ok 3661
193: ok 3662
193: ok 3663
193: ok 3664
193: ok 3665
193: ok 3666
193: ok 3667
193: ok 3668
193: ok 3669
193: ok 3670
193: ok 3671
193: ok 3672
193: ok 3673
193: ok 3674
193: ok 3675
193: ok 3676
193: ok 3677
193: ok 3678
193: ok 3679
193: ok 3680
193: ok 3681
193: ok 3682
193: ok 3683
193: ok 3684
193: ok 3685
193: ok 3686
193: ok 3687
193: ok 3688
193: ok 3689
193: ok 3690
193: ok 3691
193: ok 3692
193: ok 3693
193: ok 3694
193: ok 3695
193: ok 3696
193: ok 3697
193: ok 3698
193: ok 3699
193: ok 3700
193: ok 3701
193: ok 3702
193: ok 3703
193: ok 3704
193: ok 3705
193: ok 3706
193: ok 3707
193: ok 3708
193: ok 3709
193: ok 3710
193: ok 3711
193: ok 3712
193: ok 3713
193: ok 3714
193: ok 3715
193: ok 3716
193: ok 3717
193: ok 3718
193: ok 3719
193: ok 3720
193: ok 3721
193: ok 3722
193: ok 3723
193: ok 3724
193: ok 3725
193: ok 3726
193: ok 3727
193: ok 3728
193: ok 3729
193: ok 3730
193: ok 3731
193: ok 3732
193: ok 3733
193: ok 3734
193: ok 3735
193: ok 3736
193: ok 3737
193: ok 3738
193: ok 3739
193: ok 3740
193: ok 3741
193: ok 3742
193: ok 3743
193: ok 3744
193: ok 3745
193: ok 3746
193: ok 3747
193: ok 3748
193: ok 3749
193: ok 3750
193: ok 3751
193: ok 3752
193: ok 3753
193: ok 3754
193: ok 3755
193: ok 3756
193: ok 3757
193: ok 3758
193: ok 3759
193: ok 3760
193: ok 3761
193: ok 3762
193: ok 3763
193: ok 3764
193: ok 3765
193: ok 3766
193: ok 3767
193: ok 3768
193: ok 3769
193: ok 3770
193: ok 3771
193: ok 3772
193: ok 3773
193: ok 3774
193: ok 3775
193: ok 3776
193: ok 3777
193: ok 3778
193: ok 3779
193: ok 3780
193: ok 3781
193: ok 3782
193: ok 3783
193: ok 3784
193: ok 3785
193: ok 3786
193: ok 3787
193: ok 3788
193: ok 3789
193: ok 3790
193: ok 3791
193: ok 3792
193: ok 3793
193: ok 3794
193: ok 3795
193: ok 3796
193: ok 3797
193: ok 3798
193: ok 3799
193: ok 3800
193: ok 3801
193: ok 3802
193: ok 3803
193: ok 3804
193: ok 3805
193: ok 3806
193: ok 3807
193: ok 3808
193: ok 3809
193: ok 3810
193: ok 3811
193: ok 3812
193: ok 3813
193: ok 3814
193: ok 3815
193: ok 3816
193: ok 3817
193: ok 3818
193: ok 3819
193: ok 3820
193: ok 3821
193: ok 3822
193: ok 3823
193: ok 3824
193: ok 3825
193: ok 3826
193: ok 3827
193: ok 3828
193: ok 3829
193: ok 3830
193: ok 3831
193: ok 3832
193: ok 3833
193: ok 3834
193: ok 3835
193: ok 3836
193: ok 3837
193: ok 3838
193: ok 3839
193: ok 3840
193: ok 3841
193: ok 3842
193: ok 3843
193: ok 3844
193: ok 3845
193: ok 3846
193: ok 3847
193: ok 3848
193: ok 3849
193: ok 3850
193: ok 3851
193: ok 3852
193: ok 3853
193: ok 3854
193: ok 3855
193: ok 3856
193: ok 3857
193: ok 3858
193: ok 3859
193: ok 3860
193: ok 3861
193: ok 3862
193: ok 3863
193: ok 3864
193: ok 3865
193: ok 3866
193: ok 3867
193: ok 3868
193: ok 3869
193: ok 3870
193: ok 3871
193: ok 3872
193: ok 3873
193: ok 3874
193: ok 3875
193: ok 3876
193: ok 3877
193: ok 3878
193: ok 3879
193: ok 3880
193: ok 3881
193: ok 3882
193: ok 3883
193: ok 3884
193: ok 3885
193: ok 3886
193: ok 3887
193: ok 3888
193: ok 3889
193: ok 3890
193: ok 3891
193: ok 3892
193: ok 3893
193: ok 3894
193: ok 3895
193: ok 3896
193: ok 3897
193: ok 3898
193: ok 3899
193: ok 3900
193: ok 3901
193: ok 3902
193: ok 3903
193: ok 3904
193: ok 3905
193: ok 3906
193: ok 3907
193: ok 3908
193: ok 3909
193: ok 3910
193: ok 3911
193: ok 3912
193: ok 3913
193: ok 3914
193: ok 3915
193: ok 3916
193: ok 3917
193: ok 3918
193: ok 3919
193: ok 3920
193: ok 3921
193: ok 3922
193: ok 3923
193: ok 3924
193: ok 3925
193: ok 3926
193: ok 3927
193: ok 3928
193: ok 3929
193: ok 3930
193: ok 3931
193: ok 3932
193: ok 3933
193: ok 3934
193: ok 3935
193: ok 3936
193: ok 3937
193: ok 3938
193: ok 3939
193: ok 3940
193: ok 3941
193: ok 3942
193: ok 3943
193: ok 3944
193: ok 3945
193: ok 3946
193: ok 3947
193: ok 3948
193: ok 3949
193: ok 3950
193: ok 3951
193: ok 3952
193: ok 3953
193: ok 3954
193: ok 3955
193: ok 3956
193: ok 3957
193: ok 3958
193: ok 3959
193: ok 3960
193: ok 3961
193: ok 3962
193: ok 3963
193: ok 3964
193: ok 3965
193: ok 3966
193: ok 3967
193: ok 3968
193: ok 3969
193: ok 3970
193: ok 3971
193: ok 3972
193: ok 3973
193: ok 3974
193: ok 3975
193: ok 3976
193: ok 3977
193: ok 3978
193: ok 3979
193: ok 3980
193: ok 3981
193: ok 3982
193: ok 3983
193: ok 3984
193: ok 3985
193: ok 3986
193: ok 3987
193: ok 3988
193: ok 3989
193: ok 3990
193: ok 3991
193: ok 3992
193: ok 3993
193: ok 3994
193: ok 3995
193: ok 3996
193: ok 3997
193: ok 3998
193: ok 3999
193: ok 4000
193: ok 4001
193: ok 4002
193: ok 4003
193: ok 4004
193: ok 4005
193: ok 4006
193: ok 4007
193: ok 4008
193: ok 4009
193: ok 4010
193: ok 4011
193: ok 4012
193: ok 4013
193: ok 4014
193: ok 4015
193: ok 4016
193: ok 4017
193: ok 4018
193: ok 4019
193: ok 4020
193: ok 4021
193: ok 4022
193: ok 4023
193: ok 4024
193: ok 4025
193: ok 4026
193: ok 4027
193: ok 4028
193: ok 4029
193: ok 4030
193: ok 4031
193: ok 4032
193: ok 4033
193: ok 4034
193: ok 4035
193: ok 4036
193: ok 4037
193: ok 4038
193: ok 4039
193: ok 4040
193: ok 4041
193: ok 4042
193: ok 4043
193: ok 4044
193: ok 4045
193: ok 4046
193: ok 4047
193: ok 4048
193: ok 4049
193: ok 4050
193: ok 4051
193: ok 4052
193: ok 4053
193: ok 4054
193: ok 4055
193: ok 4056
193: ok 4057
193: ok 4058
193: ok 4059
193: ok 4060
193: ok 4061
193: ok 4062
193: ok 4063
193: ok 4064
193: ok 4065
193: ok 4066
193: ok 4067
193: ok 4068
193: ok 4069
193: ok 4070
193: ok 4071
193: ok 4072
193: ok 4073
193: ok 4074
193: ok 4075
193: ok 4076
193: ok 4077
193: ok 4078
193: ok 4079
193: ok 4080
193: ok 4081
193: ok 4082
193: ok 4083
193: ok 4084
193: ok 4085
193: ok 4086
193: ok 4087
193: ok 4088
193: ok 4089
193: ok 4090
193: ok 4091
193: ok 4092
193: ok 4093
193: ok 4094
193: ok 4095
193: ok 4096
193: ok 4097
193: ok 4098
193: ok 4099
193: ok 4100
193: ok 4101
193: ok 4102
193: ok 4103
193: ok 4104
193: ok 4105
193: ok 4106
193: ok 4107
193: ok 4108
193: ok 4109
193: ok 4110
193: ok 4111
193: ok 4112
193: ok 4113
193: ok 4114
193: ok 4115
193: ok 4116
193: ok 4117
193: ok 4118
193: ok 4119
193: ok 4120
193: ok 4121
193: ok 4122
193: ok 4123
193: ok 4124
193: ok 4125
193: ok 4126
193: ok 4127
193: ok 4128
193: ok 4129
193: ok 4130
193: ok 4131
193: ok 4132
193: ok 4133
193: ok 4134
193: ok 4135
193: ok 4136
193: ok 4137
193: ok 4138
193: ok 4139
193: ok 4140
193: ok 4141
193: ok 4142
193: ok 4143
193: ok 4144
193: ok 4145
193: ok 4146
193: ok 4147
193: ok 4148
193: ok 4149
193: ok 4150
193: ok 4151
193: ok 4152
193: ok 4153
193: ok 4154
193: ok 4155
193: ok 4156
193: ok 4157
193: ok 4158
193: ok 4159
193: ok 4160
193: ok 4161
193: ok 4162
193: ok 4163
193: ok 4164
193: ok 4165
193: ok 4166
193: ok 4167
193: ok 4168
193: ok 4169
193: ok 4170
193: ok 4171
193: ok 4172
193: ok 4173
193: ok 4174
193: ok 4175
193: ok 4176
193: ok 4177
193: ok 4178
193: ok 4179
193: ok 4180
193: ok 4181
193: ok 4182
193: ok 4183
193: ok 4184
193: ok 4185
193: ok 4186
193: ok 4187
193: ok 4188
193: ok 4189
193: ok 4190
193: ok 4191
193: ok 4192
193: ok 4193
193: ok 4194
193: ok 4195
193: ok 4196
193: ok 4197
193: ok 4198
193: ok 4199
193: ok 4200
193: ok 4201
193: ok 4202
193: ok 4203
193: ok 4204
193: ok 4205
193: ok 4206
193: ok 4207
193: ok 4208
193: ok 4209
193: ok 4210
193: ok 4211
193: ok 4212
193: ok 4213
193: ok 4214
193: ok 4215
193: ok 4216
193: ok 4217
193: ok 4218
193: ok 4219
193: ok 4220
193: ok 4221
193: ok 4222
193: ok 4223
193: ok 4224
193: ok 4225
193: ok 4226
193: ok 4227
193: ok 4228
193: ok 4229
193: ok 4230
193: ok 4231
193: ok 4232
193: ok 4233
193: ok 4234
193: ok 4235
193: ok 4236
193: ok 4237
193: ok 4238
193: ok 4239
193: ok 4240
193: ok 4241
193: ok 4242
193: ok 4243
193: ok 4244
193: ok 4245
193: ok 4246
193: ok 4247
193: ok 4248
193: ok 4249
193: ok 4250
193: ok 4251
193: ok 4252
193: ok 4253
193: ok 4254
193: ok 4255
193: ok 4256
193: ok 4257
193: ok 4258
193: ok 4259
193: ok 4260
193: ok 4261
193: ok 4262
193: ok 4263
193: ok 4264
193: ok 4265
193: ok 4266
193: ok 4267
193: ok 4268
193: ok 4269
193: ok 4270
193: ok 4271
193: ok 4272
193: ok 4273
193: ok 4274
193: ok 4275
193: ok 4276
193: ok 4277
193: ok 4278
193: ok 4279
193: ok 4280
193: ok 4281
193: ok 4282
193: ok 4283
193: ok 4284
193: ok 4285
193: ok 4286
193: ok 4287
193: ok 4288
193: ok 4289
193: ok 4290
193: ok 4291
193: ok 4292
193: ok 4293
193: ok 4294
193: ok 4295
193: ok 4296
193: ok 4297
193: ok 4298
193: ok 4299
193: ok 4300
193: ok 4301
193: ok 4302
193: ok 4303
193: ok 4304
193: ok 4305
193: ok 4306
193: ok 4307
193: ok 4308
193: ok 4309
193: ok 4310
193: ok 4311
193: ok 4312
193: ok 4313
193: ok 4314
193: ok 4315
193: ok 4316
193: ok 4317
193: ok 4318
193: ok 4319
193: ok 4320
193: ok 4321
193: ok 4322
193: ok 4323
193: ok 4324
193: ok 4325
193: ok 4326
193: ok 4327
193: ok 4328
193: ok 4329
193: ok 4330
193: ok 4331
193: ok 4332
193: ok 4333
193: ok 4334
193: ok 4335
193: ok 4336
193: ok 4337
193: ok 4338
193: ok 4339
193: ok 4340
193: ok 4341
193: ok 4342
193: ok 4343
193: ok 4344
193: ok 4345
193: ok 4346
193: ok 4347
193: ok 4348
193: ok 4349
193: ok 4350
193: ok 4351
193: ok 4352
193: ok 4353
193: ok 4354
193: ok 4355
193: ok 4356
193: ok 4357
193: ok 4358
193: ok 4359
193: ok 4360
193: ok 4361
193: ok 4362
193: ok 4363
193: ok 4364
193: ok 4365
193: ok 4366
193: ok 4367
193: ok 4368
193: ok 4369
193: ok 4370
193: ok 4371
193: ok 4372
193: ok 4373
193: ok 4374
193: ok 4375
193: ok 4376
193: ok 4377
193: ok 4378
193: ok 4379
193: ok 4380
193: ok 4381
193: ok 4382
193: ok 4383
193: ok 4384
193: ok 4385
193: ok 4386
193: ok 4387
193: ok 4388
193: ok 4389
193: ok 4390
193: ok 4391
193: ok 4392
193: ok 4393
193: ok 4394
193: ok 4395
193: ok 4396
193: ok 4397
193: ok 4398
193: ok 4399
193: ok 4400
193: ok 4401
193: ok 4402
193: ok 4403
193: ok 4404
193: ok 4405
193: ok 4406
193: ok 4407
193: ok 4408
193: ok 4409
193: ok 4410
193: ok 4411
193: ok 4412
193: ok 4413
193: ok 4414
193: ok 4415
193: ok 4416
193: ok 4417
193: ok 4418
193: ok 4419
193: ok 4420
193: ok 4421
193: ok 4422
193: ok 4423
193: ok 4424
193: ok 4425
193: ok 4426
193: ok 4427
193: ok 4428
193: ok 4429
193: ok 4430
193: ok 4431
193: ok 4432
193: ok 4433
193: ok 4434
193: ok 4435
193: ok 4436
193: ok 4437
193: ok 4438
193: ok 4439
193: ok 4440
193: ok 4441
193: ok 4442
193: ok 4443
193: ok 4444
193: ok 4445
193: ok 4446
193: ok 4447
193: ok 4448
193: ok 4449
193: ok 4450
193: ok 4451
193: ok 4452
193: ok 4453
193: ok 4454
193: ok 4455
193: ok 4456
193: ok 4457
193: ok 4458
193: ok 4459
193: ok 4460
193: ok 4461
193: ok 4462
193: ok 4463
193: ok 4464
193: ok 4465
193: ok 4466
193: ok 4467
193: ok 4468
193: ok 4469
193: ok 4470
193: ok 4471
193: ok 4472
193: ok 4473
193: ok 4474
193: ok 4475
193: ok 4476
193: ok 4477
193: ok 4478
193: ok 4479
193: ok 4480
193: ok 4481
193: ok 4482
193: ok 4483
193: ok 4484
193: ok 4485
193: ok 4486
193: ok 4487
193: ok 4488
193: ok 4489
193: ok 4490
193: ok 4491
193: ok 4492
193: ok 4493
193: ok 4494
193: ok 4495
193: ok 4496
193: ok 4497
193: ok 4498
193: ok 4499
193: ok 4500
193: ok 4501
193: ok 4502
193: ok 4503
193: ok 4504
193: ok 4505
193: ok 4506
193: ok 4507
193: ok 4508
193: ok 4509
193: ok 4510
193: ok 4511
193: ok 4512
193: ok 4513
193: ok 4514
193: ok 4515
193: ok 4516
193: ok 4517
193: ok 4518
193: ok 4519
193: ok 4520
193: ok 4521
193: ok 4522
193: ok 4523
193: ok 4524
193: ok 4525
193: ok 4526
193: ok 4527
193: ok 4528
193: ok 4529
193: ok 4530
193: ok 4531
193: ok 4532
193: ok 4533
193: ok 4534
193: ok 4535
193: ok 4536
193: ok 4537
193: ok 4538
193: ok 4539
193: ok 4540
193: ok 4541
193: ok 4542
193: ok 4543
193: ok 4544
193: ok 4545
193: ok 4546
193: ok 4547
193: ok 4548
193: ok 4549
193: ok 4550
193: ok 4551
193: ok 4552
193: ok 4553
193: ok 4554
193: ok 4555
193: ok 4556
193: ok 4557
193: ok 4558
193: ok 4559
193: ok 4560
193: ok 4561
193: ok 4562
193: ok 4563
193: ok 4564
193: ok 4565
193: ok 4566
193: ok 4567
193: ok 4568
193: ok 4569
193: ok 4570
193: ok 4571
193: ok 4572
193: ok 4573
193: ok 4574
193: ok 4575
193: ok 4576
193: ok 4577
193: ok 4578
193: ok 4579
193: ok 4580
193: ok 4581
193: ok 4582
193: ok 4583
193: ok 4584
193: ok 4585
193: ok 4586
193: ok 4587
193: ok 4588
193: ok 4589
193: ok 4590
193: ok 4591
193: ok 4592
193: ok 4593
193: ok 4594
193: ok 4595
193: ok 4596
193: ok 4597
193: ok 4598
193: ok 4599
193: ok 4600
193: ok 4601
193: ok 4602
193: ok 4603
193: ok 4604
193: ok 4605
193: ok 4606
193: ok 4607
193: ok 4608
193: ok 4609
193: ok 4610
193: ok 4611
193: ok 4612
193: ok 4613
193: ok 4614
193: ok 4615
193: ok 4616
193: ok 4617
193: ok 4618
193: ok 4619
193: ok 4620
193: ok 4621
193: ok 4622
193: ok 4623
193: ok 4624
193: ok 4625
193: ok 4626
193: ok 4627
193: ok 4628
193: ok 4629
193: ok 4630
193: ok 4631
193: ok 4632
193: ok 4633
193: ok 4634
193: ok 4635
193: ok 4636
193: ok 4637
193: ok 4638
193: ok 4639
193: ok 4640
193: ok 4641
193: ok 4642
193: ok 4643
193: ok 4644
193: ok 4645
193: ok 4646
193: ok 4647
193: ok 4648
193: ok 4649
193: ok 4650
193: ok 4651
193: ok 4652
193: ok 4653
193: ok 4654
193: ok 4655
193: ok 4656
193: ok 4657
193: ok 4658
193: ok 4659
193: ok 4660
193: ok 4661
193: ok 4662
193: ok 4663
193: ok 4664
193: ok 4665
193: ok 4666
193: ok 4667
193: ok 4668
193: ok 4669
193: ok 4670
193: ok 4671
193: ok 4672
193: ok 4673
193: ok 4674
193: ok 4675
193: ok 4676
193: ok 4677
193: ok 4678
193: ok 4679
193: ok 4680
193: ok 4681
193: ok 4682
193: ok 4683
193: ok 4684
193: ok 4685
193: ok 4686
193: ok 4687
193: ok 4688
193: ok 4689
193: ok 4690
193: ok 4691
193: ok 4692
193: ok 4693
193: ok 4694
193: ok 4695
193: ok 4696
193: ok 4697
193: ok 4698
193: ok 4699
193: ok 4700
193: ok 4701
193: ok 4702
193: ok 4703
193: ok 4704
193: ok 4705
193: ok 4706
193: ok 4707
193: ok 4708
193: ok 4709
193: ok 4710
193: ok 4711
193: ok 4712
193: ok 4713
193: ok 4714
193: ok 4715
193: ok 4716
193: ok 4717
193: ok 4718
193: ok 4719
193: ok 4720
193: ok 4721
193: ok 4722
193: ok 4723
193: ok 4724
193: ok 4725
193: ok 4726
193: ok 4727
193: ok 4728
193: ok 4729
193: ok 4730
193: ok 4731
193: ok 4732
193: ok 4733
193: ok 4734
193: ok 4735
193: ok 4736
193: ok 4737
193: ok 4738
193: ok 4739
193: ok 4740
193: ok 4741
193: ok 4742
193: ok 4743
193: ok 4744
193: ok 4745
193: ok 4746
193: ok 4747
193: ok 4748
193: ok 4749
193: ok 4750
193: ok 4751
193: ok 4752
193: ok 4753
193: ok 4754
193: ok 4755
193: ok 4756
193: ok 4757
193: ok 4758
193: ok 4759
193: ok 4760
193: ok 4761
193: ok 4762
193: ok 4763
193: ok 4764
193: ok 4765
193: ok 4766
193: ok 4767
193: ok 4768
193: ok 4769
193: ok 4770
193: ok 4771
193: ok 4772
193: ok 4773
193: ok 4774
193: ok 4775
193: ok 4776
193: ok 4777
193: ok 4778
193: ok 4779
193: ok 4780
193: ok 4781
193: ok 4782
193: ok 4783
193: ok 4784
193: ok 4785
193: ok 4786
193: ok 4787
193: ok 4788
193: ok 4789
193: ok 4790
193: ok 4791
193: ok 4792
193: ok 4793
193: ok 4794
193: ok 4795
193: ok 4796
193: ok 4797
193: ok 4798
193: ok 4799
193: ok 4800
193: ok 4801
193: ok 4802
193: ok 4803
193: ok 4804
193: ok 4805
193: ok 4806
193: ok 4807
193: ok 4808
193: ok 4809
193: ok 4810
193: ok 4811
193: ok 4812
193: ok 4813
193: ok 4814
193: ok 4815
193: ok 4816
193: ok 4817
193: ok 4818
193: ok 4819
193: ok 4820
193: ok 4821
193: ok 4822
193: ok 4823
193: ok 4824
193: ok 4825
193: ok 4826
193: ok 4827
193: ok 4828
193: ok 4829
193: ok 4830
193: ok 4831
193: ok 4832
193: ok 4833
193: ok 4834
193: ok 4835
193: ok 4836
193: ok 4837
193: ok 4838
193: ok 4839
193: ok 4840
193: ok 4841
193: ok 4842
193: ok 4843
193: ok 4844
193: ok 4845
193: ok 4846
193: ok 4847
193: ok 4848
193: ok 4849
193: ok 4850
193: ok 4851
193: ok 4852
193: ok 4853
193: ok 4854
193: ok 4855
193: ok 4856
193: ok 4857
193: ok 4858
193: ok 4859
193: ok 4860
193: ok 4861
193: ok 4862
193: ok 4863
193: ok 4864
193: ok 4865
193: ok 4866
193: ok 4867
193: ok 4868
193: ok 4869
193: ok 4870
193: ok 4871
193: ok 4872
193: ok 4873
193: ok 4874
193: ok 4875
193: ok 4876
193: ok 4877
193: ok 4878
193: ok 4879
193: ok 4880
193: ok 4881
193: ok 4882
193: ok 4883
193: ok 4884
193: ok 4885
193: ok 4886
193: ok 4887
193: ok 4888
193: ok 4889
193: ok 4890
193: ok 4891
193: ok 4892
193: ok 4893
193: ok 4894
193: ok 4895
193: ok 4896
193: ok 4897
193: ok 4898
193: ok 4899
193: ok 4900
193: ok 4901
193: ok 4902
193: ok 4903
193: ok 4904
193: ok 4905
193: ok 4906
193: ok 4907
193: ok 4908
193: ok 4909
193: ok 4910
193: ok 4911
193: ok 4912
193: ok 4913
193: ok 4914
193: ok 4915
193: ok 4916
193: ok 4917
193: ok 4918
193: ok 4919
193: ok 4920
193: ok 4921
193: ok 4922
193: ok 4923
193: ok 4924
193: ok 4925
193: ok 4926
193: ok 4927
193: ok 4928
193: ok 4929
193: ok 4930
193: ok 4931
193: ok 4932
193: ok 4933
193: ok 4934
193: ok 4935
193: ok 4936
193: ok 4937
193: ok 4938
193: ok 4939
193: ok 4940
193: ok 4941
193: ok 4942
193: ok 4943
193: ok 4944
193: ok 4945
193: ok 4946
193: ok 4947
193: ok 4948
193: ok 4949
193: ok 4950
193: ok 4951
193: ok 4952
193: ok 4953
193: ok 4954
193: ok 4955
193: ok 4956
193: ok 4957
193: ok 4958
193: ok 4959
193: ok 4960
193: ok 4961
193: ok 4962
193: ok 4963
193: ok 4964
193: ok 4965
193: ok 4966
193: ok 4967
193: ok 4968
193: ok 4969
193: ok 4970
193: ok 4971
193: ok 4972
193: ok 4973
193: ok 4974
193: ok 4975
193: ok 4976
193: ok 4977
193: ok 4978
193: ok 4979
193: ok 4980
193: ok 4981
193: ok 4982
193: ok 4983
193: ok 4984
193: ok 4985
193: ok 4986
193: ok 4987
193: ok 4988
193: ok 4989
193: ok 4990
193: ok 4991
193: ok 4992
193: ok 4993
193: ok 4994
193: ok 4995
193: ok 4996
193: ok 4997
193: ok 4998
193: ok 4999
193: ok 5000
193: ok 5001
193: ok 5002
193: ok 5003
193: ok 5004
193: ok 5005
193: ok 5006
193: ok 5007
193: ok 5008
193: ok 5009
193: ok 5010
193: ok 5011
193: ok 5012
193: ok 5013
193: ok 5014
193: ok 5015
193: ok 5016
193: ok 5017
193: ok 5018
193: ok 5019
193: ok 5020
193: ok 5021
193: ok 5022
193: ok 5023
193: ok 5024
193: ok 5025
193: ok 5026
193: ok 5027
193: ok 5028
193: ok 5029
193: ok 5030
193: ok 5031
193: ok 5032
193: ok 5033
193: ok 5034
193: ok 5035
193: ok 5036
193: ok 5037
193: ok 5038
193: ok 5039
193: ok 5040
193: ok 5041
193: ok 5042
193: ok 5043
193: ok 5044
193: ok 5045
193: ok 5046
193: ok 5047
193: ok 5048
193: ok 5049
193: ok 5050
193: ok 5051
193: ok 5052
193: ok 5053
193: ok 5054
193: ok 5055
193: ok 5056
193: ok 5057
193: ok 5058
193: ok 5059
193: ok 5060
193: ok 5061
193: ok 5062
193: ok 5063
193: ok 5064
193: ok 5065
193: ok 5066
193: ok 5067
193: ok 5068
193: ok 5069
193: ok 5070
193: ok 5071
193: ok 5072
193: ok 5073
193: ok 5074
193: ok 5075
193: ok 5076
193: ok 5077
193: ok 5078
193: ok 5079
193: ok 5080
193: ok 5081
193: ok 5082
193: ok 5083
193: ok 5084
193: ok 5085
193: ok 5086
193: ok 5087
193: ok 5088
193: ok 5089
193: ok 5090
193: ok 5091
193: ok 5092
193: ok 5093
193: ok 5094
193: ok 5095
193: ok 5096
193: ok 5097
193: ok 5098
193: ok 5099
193: ok 5100
193: ok 5101
193: ok 5102
193: ok 5103
193: ok 5104
193: ok 5105
193: ok 5106
193: ok 5107
193: ok 5108
193: ok 5109
193: ok 5110
193: ok 5111
193: ok 5112
193: ok 5113
193: ok 5114
193: ok 5115
193: ok 5116
193: ok 5117
193: ok 5118
193: ok 5119
193: ok 5120
193: ok 5121
193: ok 5122
193: ok 5123
193: ok 5124
193: ok 5125
193: ok 5126
193: ok 5127
193: ok 5128
193: ok 5129
193: ok 5130
193: ok 5131
193: ok 5132
193: ok 5133
193: ok 5134
193: ok 5135
193: ok 5136
193: ok 5137
193: ok 5138
193: ok 5139
193: ok 5140
193: ok 5141
193: ok 5142
193: ok 5143
193: ok 5144
193: ok 5145
193: ok 5146
193: ok 5147
193: ok 5148
193: ok 5149
193: ok 5150
193: ok 5151
193: ok 5152
193: ok 5153
193: ok 5154
193: ok 5155
193: ok 5156
193: ok 5157
193: ok 5158
193: ok 5159
193: ok 5160
193: ok 5161
193: ok 5162
193: ok 5163
193: ok 5164
193: ok 5165
193: ok 5166
193: ok 5167
193: ok 5168
193: ok 5169
193: ok 5170
193: ok 5171
193: ok 5172
193: ok 5173
193: ok 5174
193: ok 5175
193: ok 5176
193: ok 5177
193: ok 5178
193: ok 5179
193: ok 5180
193: ok 5181
193: ok 5182
193: ok 5183
193: ok 5184
193: ok 5185
193: ok 5186
193: ok 5187
193: ok 5188
193: ok 5189
193: ok 5190
193: ok 5191
193: ok 5192
193: ok 5193
193: ok 5194
193: ok 5195
193: ok 5196
193: ok 5197
193: ok 5198
193: ok 5199
193: ok 5200
193: ok 5201
193: ok 5202
193: ok 5203
193: ok 5204
193: ok 5205
193: ok 5206
193: ok 5207
193: ok 5208
193: ok 5209
193: ok 5210
193: ok 5211
193: ok 5212
193: ok 5213
193: ok 5214
193: ok 5215
193: ok 5216
193: ok 5217
193: ok 5218
193: ok 5219
193: ok 5220
193: ok 5221
193: ok 5222
193: ok 5223
193: ok 5224
193: ok 5225
193: ok 5226
193: ok 5227
193: ok 5228
193: ok 5229
193: ok 5230
193: ok 5231
193: ok 5232
193: ok 5233
193: ok 5234
193: ok 5235
193: ok 5236
193: ok 5237
193: ok 5238
193: ok 5239
193: ok 5240
193: ok 5241
193: ok 5242
193: ok 5243
193: ok 5244
193: ok 5245
193: ok 5246
193: ok 5247
193: ok 5248
193: ok 5249
193: ok 5250
193: ok 5251
193: ok 5252
193: ok 5253
193: ok 5254
193: ok 5255
193: ok 5256
193: ok 5257
193: ok 5258
193: ok 5259
193: ok 5260
193: ok 5261
193: ok 5262
193: ok 5263
193: ok 5264
193: ok 5265
193: ok 5266
193: ok 5267
193: ok 5268
193: ok 5269
193: ok 5270
193: ok 5271
193: ok 5272
193: ok 5273
193: ok 5274
193: ok 5275
193: ok 5276
193: ok 5277
193: ok 5278
193: ok 5279
193: ok 5280
193: ok 5281
193: ok 5282
193: ok 5283
193: ok 5284
193: ok 5285
193: ok 5286
193: ok 5287
193: ok 5288
193: ok 5289
193: ok 5290
193: ok 5291
193: ok 5292
193: ok 5293
193: ok 5294
193: ok 5295
193: ok 5296
193: ok 5297
193: ok 5298
193: ok 5299
193: ok 5300
193: ok 5301
193: ok 5302
193: ok 5303
193: ok 5304
193: ok 5305
193: ok 5306
193: ok 5307
193: ok 5308
193: ok 5309
193: ok 5310
193: ok 5311
193: ok 5312
193: ok 5313
193: ok 5314
193: ok 5315
193: ok 5316
193: ok 5317
193: ok 5318
193: ok 5319
193: ok 5320
193: ok 5321
193: ok 5322
193: ok 5323
193: ok 5324
193: ok 5325
193: ok 5326
193: ok 5327
193: ok 5328
193: ok 5329
193: ok 5330
193: ok 5331
193: ok 5332
193: ok 5333
193: ok 5334
193: ok 5335
193: ok 5336
193: ok 5337
193: ok 5338
193: ok 5339
193: ok 5340
193: ok 5341
193: ok 5342
193: ok 5343
193: ok 5344
193: ok 5345
193: ok 5346
193: ok 5347
193: ok 5348
193: ok 5349
193: ok 5350
193: ok 5351
193: ok 5352
193: ok 5353
193: ok 5354
193: ok 5355
193: ok 5356
193: ok 5357
193: ok 5358
193: ok 5359
193: ok 5360
193: ok 5361
193: ok 5362
193: ok 5363
193: ok 5364
193: ok 5365
193: ok 5366
193: ok 5367
193: ok 5368
193: ok 5369
193: ok 5370
193: ok 5371
193: ok 5372
193: ok 5373
193: ok 5374
193: ok 5375
193: ok 5376
193: ok 5377
193: ok 5378
193: ok 5379
193: ok 5380
193: ok 5381
193: ok 5382
193: ok 5383
193: ok 5384
193: ok 5385
193: ok 5386
193: ok 5387
193: ok 5388
193: ok 5389
193: ok 5390
193: ok 5391
193: ok 5392
193: ok 5393
193: ok 5394
193: ok 5395
193: ok 5396
193: ok 5397
193: ok 5398
193: ok 5399
193: ok 5400
193: ok 5401
193: ok 5402
193: ok 5403
193: ok 5404
193: ok 5405
193: ok 5406
193: ok 5407
193: ok 5408
193: ok 5409
193: ok 5410
193: ok 5411
193: ok 5412
193: ok 5413
193: ok 5414
193: ok 5415
193: ok 5416
193: ok 5417
193: ok 5418
193: ok 5419
193: ok 5420
193: ok 5421
193: ok 5422
193: ok 5423
193: ok 5424
193: ok 5425
193: ok 5426
193: ok 5427
193: ok 5428
193: ok 5429
193: ok 5430
193: ok 5431
193: ok 5432
193: ok 5433
193: ok 5434
193: ok 5435
193: ok 5436
193: ok 5437
193: ok 5438
193: ok 5439
193: ok 5440
193: ok 5441
193: ok 5442
193: ok 5443
193: ok 5444
193: ok 5445
193: ok 5446
193: ok 5447
193: ok 5448
193: ok 5449
193: ok 5450
193: ok 5451
193: ok 5452
193: ok 5453
193: ok 5454
193: ok 5455
193: ok 5456
193: ok 5457
193: ok 5458
193: ok 5459
193: ok 5460
193: ok 5461
193: ok 5462
193: ok 5463
193: ok 5464
193: ok 5465
193: ok 5466
193: ok 5467
193: ok 5468
193: ok 5469
193: ok 5470
193: ok 5471
193: ok 5472
193: ok 5473
193: ok 5474
193: ok 5475
193: ok 5476
193: ok 5477
193: ok 5478
193: ok 5479
193: ok 5480
193: ok 5481
193: ok 5482
193: ok 5483
193: ok 5484
193: ok 5485
193: ok 5486
193: ok 5487
193: ok 5488
193: ok 5489
193: ok 5490
193: ok 5491
193: ok 5492
193: ok 5493
193: ok 5494
193: ok 5495
193: ok 5496
193: ok 5497
193: ok 5498
193: ok 5499
193: ok 5500
193: ok 5501
193: ok 5502
193: ok 5503
193: ok 5504
193: ok 5505
193: ok 5506
193: ok 5507
193: ok 5508
193: ok 5509
193: ok 5510
193: ok 5511
193: ok 5512
193: ok 5513
193: ok 5514
193: ok 5515
193: ok 5516
193: ok 5517
193: ok 5518
193: ok 5519
193: ok 5520
193: ok 5521
193: ok 5522
193: ok 5523
193: ok 5524
193: ok 5525
193: ok 5526
193: ok 5527
193: ok 5528
193: ok 5529
193: ok 5530
193: ok 5531
193: ok 5532
193: ok 5533
193: ok 5534
193: ok 5535
193: ok 5536
193: ok 5537
193: ok 5538
193: ok 5539
193: ok 5540
193: ok 5541
193: ok 5542
193: ok 5543
193: ok 5544
193: ok 5545
193: ok 5546
193: ok 5547
193: ok 5548
193: ok 5549
193: ok 5550
193: ok 5551
193: ok 5552
193: ok 5553
193: ok 5554
193: ok 5555
193: ok 5556
193: ok 5557
193: ok 5558
193: ok 5559
193: ok 5560
193: ok 5561
193: ok 5562
193: ok 5563
193: ok 5564
193: ok 5565
193: ok 5566
193: ok 5567
193: ok 5568
193: ok 5569
193: ok 5570
193: ok 5571
193: ok 5572
193: ok 5573
193: ok 5574
193: ok 5575
193: ok 5576
193: ok 5577
193: ok 5578
193: ok 5579
193: ok 5580
193: ok 5581
193: ok 5582
193: ok 5583
193: ok 5584
193: ok 5585
193: ok 5586
193: ok 5587
193: ok 5588
193: ok 5589
193: ok 5590
193: ok 5591
193: ok 5592
193: ok 5593
193: ok 5594
193: ok 5595
193: ok 5596
193: ok 5597
193: ok 5598
193: ok 5599
193: ok 5600
193: ok 5601
193: ok 5602
193: ok 5603
193: ok 5604
193: ok 5605
193: ok 5606
193: ok 5607
193: ok 5608
193: ok 5609
193: ok 5610
193: ok 5611
193: ok 5612
193: ok 5613
193: ok 5614
193: ok 5615
193: ok 5616
193: ok 5617
193: ok 5618
193: ok 5619
193: ok 5620
193: ok 5621
193: ok 5622
193: ok 5623
193: ok 5624
193: ok 5625
193: ok 5626
193: ok 5627
193: ok 5628
193: ok 5629
193: ok 5630
193: ok 5631
193: ok 5632
193: ok 5633
193: ok 5634
193: ok 5635
193: ok 5636
193: ok 5637
193: ok 5638
193: ok 5639
193: ok 5640
193: ok 5641
193: ok 5642
193: ok 5643
193: ok 5644
193: ok 5645
193: ok 5646
193: ok 5647
193: ok 5648
193: ok 5649
193: ok 5650
193: ok 5651
193: ok 5652
193: ok 5653
193: ok 5654
193: ok 5655
193: ok 5656
193: ok 5657
193: ok 5658
193: ok 5659
193: ok 5660
193: ok 5661
193: ok 5662
193: ok 5663
193: ok 5664
193: ok 5665
193: ok 5666
193: ok 5667
193: ok 5668
193: ok 5669
193: ok 5670
193: ok 5671
193: ok 5672
193: ok 5673
193: ok 5674
193: ok 5675
193: ok 5676
193: ok 5677
193: ok 5678
193: ok 5679
193: ok 5680
193: ok 5681
193: ok 5682
193: ok 5683
193: ok 5684
193: ok 5685
193: ok 5686
193: ok 5687
193: ok 5688
193: ok 5689
193: ok 5690
193: ok 5691
193: ok 5692
193: ok 5693
193: ok 5694
193: ok 5695
193: ok 5696
193: ok 5697
193: ok 5698
193: ok 5699
193: ok 5700
193: ok 5701
193: ok 5702
193: ok 5703
193: ok 5704
193: ok 5705
193: ok 5706
193: ok 5707
193: ok 5708
193: ok 5709
193: ok 5710
193: ok 5711
193: ok 5712
193: ok 5713
193: ok 5714
193: ok 5715
193: ok 5716
193: ok 5717
193: ok 5718
193: ok 5719
193: ok 5720
193: ok 5721
193: ok 5722
193: ok 5723
193: ok 5724
193: ok 5725
193: ok 5726
193: ok 5727
193: ok 5728
193: ok 5729
193: ok 5730
193: ok 5731
193: ok 5732
193: ok 5733
193: ok 5734
193: ok 5735
193: ok 5736
193: ok 5737
193: ok 5738
193: ok 5739
193: ok 5740
193: ok 5741
193: ok 5742
193: ok 5743
193: ok 5744
193: ok 5745
193: ok 5746
193: ok 5747
193: ok 5748
193: ok 5749
193: ok 5750
193: ok 5751
193: ok 5752
193: ok 5753
193: ok 5754
193: ok 5755
193: ok 5756
193: ok 5757
193: ok 5758
193: ok 5759
193: ok 5760
193: ok 5761
193: ok 5762
193: ok 5763
193: ok 5764
193: ok 5765
193: ok 5766
193: ok 5767
193: ok 5768
193: ok 5769
193: ok 5770
193: ok 5771
193: ok 5772
193: ok 5773
193: ok 5774
193: ok 5775
193: ok 5776
193: ok 5777
193: ok 5778
193: ok 5779
193: ok 5780
193: ok 5781
193: ok 5782
193: ok 5783
193: ok 5784
193: ok 5785
193: ok 5786
193: ok 5787
193: ok 5788
193: ok 5789
193: ok 5790
193: ok 5791
193: ok 5792
193: ok 5793
193: ok 5794
193: ok 5795
193: ok 5796
193: ok 5797
193: ok 5798
193: ok 5799
193: ok 5800
193: ok 5801
193: ok 5802
193: ok 5803
193: ok 5804
193: ok 5805
193: ok 5806
193: ok 5807
193: ok 5808
193: ok 5809
193: ok 5810
193: ok 5811
193: ok 5812
193: ok 5813
193: ok 5814
193: ok 5815
193: ok 5816
193: ok 5817
193: ok 5818
193: ok 5819
193: ok 5820
193: ok 5821
193: ok 5822
193: ok 5823
193: ok 5824
193: ok 5825
193: ok 5826
193: ok 5827
193: ok 5828
193: ok 5829
193: ok 5830
193: ok 5831
193: ok 5832
193: ok 5833
193: ok 5834
193: ok 5835
193: ok 5836
193: ok 5837
193: ok 5838
193: ok 5839
193: ok 5840
193: ok 5841
193: ok 5842
193: ok 5843
193: ok 5844
193: ok 5845
193: ok 5846
193: ok 5847
193: ok 5848
193: ok 5849
193: ok 5850
193: ok 5851
193: ok 5852
193: ok 5853
193: ok 5854
193: ok 5855
193: ok 5856
193: ok 5857
193: ok 5858
193: ok 5859
193: ok 5860
193: ok 5861
193: ok 5862
193: ok 5863
193: ok 5864
193: ok 5865
193: ok 5866
193: ok 5867
193: ok 5868
193: ok 5869
193: ok 5870
193: ok 5871
193: ok 5872
193: ok 5873
193: ok 5874
193: ok 5875
193: ok 5876
193: ok 5877
193: ok 5878
193: ok 5879
193: ok 5880
193: ok 5881
193: ok 5882
193: ok 5883
193: ok 5884
193: ok 5885
193: ok 5886
193: ok 5887
193: ok 5888
193: ok 5889
193: ok 5890
193: ok 5891
193: ok 5892
193: ok 5893
193: ok 5894
193: ok 5895
193: ok 5896
193: ok 5897
193: ok 5898
193: ok 5899
193: ok 5900
193: ok 5901
193: ok 5902
193: ok 5903
193: ok 5904
193: ok 5905
193: ok 5906
193: ok 5907
193: ok 5908
193: ok 5909
193: ok 5910
193: ok 5911
193: ok 5912
193: ok 5913
193: ok 5914
193: ok 5915
193: ok 5916
193: ok 5917
193: ok 5918
193: ok 5919
193: ok 5920
193: ok 5921
193: ok 5922
193: ok 5923
193: ok 5924
193: ok 5925
193: ok 5926
193: ok 5927
193: ok 5928
193: ok 5929
193: ok 5930
193: ok 5931
193: ok 5932
193: ok 5933
193: ok 5934
193: ok 5935
193: ok 5936
193: ok 5937
193: ok 5938
193: ok 5939
193: ok 5940
193: ok 5941
193: ok 5942
193: ok 5943
193: ok 5944
193: ok 5945
193: ok 5946
193: ok 5947
193: ok 5948
193: ok 5949
193: ok 5950
193: ok 5951
193: ok 5952
193: ok 5953
193: ok 5954
193: ok 5955
193: ok 5956
193: ok 5957
193: ok 5958
193: ok 5959
193: ok 5960
193: ok 5961
193: ok 5962
193: ok 5963
193: ok 5964
193: ok 5965
193: ok 5966
193: ok 5967
193: ok 5968
193: ok 5969
193: ok 5970
193: ok 5971
193: ok 5972
193: ok 5973
193: ok 5974
193: ok 5975
193: ok 5976
193: ok 5977
193: ok 5978
193: ok 5979
193: ok 5980
193: ok 5981
193: ok 5982
193: ok 5983
193: ok 5984
193: ok 5985
193: ok 5986
193: ok 5987
193: ok 5988
193: ok 5989
193: ok 5990
193: ok 5991
193: ok 5992
193: ok 5993
193: ok 5994
193: ok 5995
193: ok 5996
193: ok 5997
193: ok 5998
193: ok 5999
193: ok 6000
193: ok 6001
193: ok 6002
193: ok 6003
193: ok 6004
193: ok 6005
193: ok 6006
193: ok 6007
193: ok 6008
193: ok 6009
193: ok 6010
193: ok 6011
193: ok 6012
193: ok 6013
193: ok 6014
193: ok 6015
193: ok 6016
193: ok 6017
193: ok 6018
193: ok 6019
193: ok 6020
193: ok 6021
193: ok 6022
193: ok 6023
193: ok 6024
193: ok 6025
193: ok 6026
193: ok 6027
193: ok 6028
193: ok 6029
193: ok 6030
193: ok 6031
193: ok 6032
193: ok 6033
193: ok 6034
193: ok 6035
193: ok 6036
193: ok 6037
193: ok 6038
193: ok 6039
193: ok 6040
193: ok 6041
193: ok 6042
193: ok 6043
193: ok 6044
193: ok 6045
193: ok 6046
193: ok 6047
193: ok 6048
193: ok 6049
193: ok 6050
193: ok 6051
193: ok 6052
193: ok 6053
193: ok 6054
193: ok 6055
193: ok 6056
193: ok 6057
193: ok 6058
193: ok 6059
193: ok 6060
193: ok 6061
193: ok 6062
193: ok 6063
193: ok 6064
193: ok 6065
193: ok 6066
193: ok 6067
193: ok 6068
193: ok 6069
193: ok 6070
193: ok 6071
193: ok 6072
193: ok 6073
193: ok 6074
193: ok 6075
193: ok 6076
193: ok 6077
193: ok 6078
193: ok 6079
193: ok 6080
193: ok 6081
193: ok 6082
193: ok 6083
193: ok 6084
193: ok 6085
193: ok 6086
193: ok 6087
193: ok 6088
193: ok 6089
193: ok 6090
193: ok 6091
193: ok 6092
193: ok 6093
193: ok 6094
193: ok 6095
193: ok 6096
193: ok 6097
193: ok 6098
193: ok 6099
193: ok 6100
193: ok 6101
193: ok 6102
193: ok 6103
193: ok 6104
193: ok 6105
193: ok 6106
193: ok 6107
193: ok 6108
193: ok 6109
193: ok 6110
193: ok 6111
193: ok 6112
193: ok 6113
193: ok 6114
193: ok 6115
193: ok 6116
193: ok 6117
193: ok 6118
193: ok 6119
193: ok 6120
193: ok 6121
193: ok 6122
193: ok 6123
193: ok 6124
193: ok 6125
193: ok 6126
193: ok 6127
193: ok 6128
193: ok 6129
193: ok 6130
193: ok 6131
193: ok 6132
193: ok 6133
193: ok 6134
193: ok 6135
193: ok 6136
193: ok 6137
193: ok 6138
193: ok 6139
193: ok 6140
193: ok 6141
193: ok 6142
193: ok 6143
193: ok 6144
193: ok 6145
193: ok 6146
193: ok 6147
193: ok 6148
193: ok 6149
193: ok 6150
193: ok 6151
193: ok 6152
193: ok 6153
193: ok 6154
193: ok 6155
193: ok 6156
193: ok 6157
193: ok 6158
193: ok 6159
193: ok 6160
193: ok 6161
193: ok 6162
193: ok 6163
193: ok 6164
193: ok 6165
193: ok 6166
193: ok 6167
193: ok 6168
193: ok 6169
193: ok 6170
193: ok 6171
193: ok 6172
193: ok 6173
193: ok 6174
193: ok 6175
193: ok 6176
193: ok 6177
193: ok 6178
193: ok 6179
193: ok 6180
193: ok 6181
193: ok 6182
193: ok 6183
193: ok 6184
193: ok 6185
193: ok 6186
193: ok 6187
193: ok 6188
193: ok 6189
193: ok 6190
193: ok 6191
193: ok 6192
193: ok 6193
193: ok 6194
193: ok 6195
193: ok 6196
193: ok 6197
193: ok 6198
193: ok 6199
193: ok 6200
193: ok 6201
193: ok 6202
193: ok 6203
193: ok 6204
193: ok 6205
193: ok 6206
193: ok 6207
193: ok 6208
193: ok 6209
193: ok 6210
193: ok 6211
193: ok 6212
193: ok 6213
193: ok 6214
193: ok 6215
193: ok 6216
193: ok 6217
193: ok 6218
193: ok 6219
193: ok 6220
193: ok 6221
193: ok 6222
193: ok 6223
193: ok 6224
193: ok 6225
193: ok 6226
193: ok 6227
193: ok 6228
193: ok 6229
193: ok 6230
193: ok 6231
193: ok 6232
193: ok 6233
193: ok 6234
193: ok 6235
193: ok 6236
193: ok 6237
193: ok 6238
193: ok 6239
193: ok 6240
193: ok 6241
193: ok 6242
193: ok 6243
193: ok 6244
193: ok 6245
193: ok 6246
193: ok 6247
193: ok 6248
193: ok 6249
193: ok 6250
193: ok 6251
193: ok 6252
193: ok 6253
193: ok 6254
193: ok 6255
193: ok 6256
193: ok 6257
193: ok 6258
193: ok 6259
193: ok 6260
193: ok 6261
193: ok 6262
193: ok 6263
193: ok 6264
193: ok 6265
193: ok 6266
193: ok 6267
193: ok 6268
193: ok 6269
193: ok 6270
193: ok 6271
193: ok 6272
193: ok 6273
193: ok 6274
193: ok 6275
193: ok 6276
193: ok 6277
193: ok 6278
193: ok 6279
193: ok 6280
193: ok 6281
193: ok 6282
193: ok 6283
193: ok 6284
193: ok 6285
193: ok 6286
193: ok 6287
193: ok 6288
193: ok 6289
193: ok 6290
193: ok 6291
193: ok 6292
193: ok 6293
193: ok 6294
193: ok 6295
193: ok 6296
193: ok 6297
193: ok 6298
193: ok 6299
193: ok 6300
193: ok 6301
193: ok 6302
193: ok 6303
193: ok 6304
193: ok 6305
193: ok 6306
193: ok 6307
193: ok 6308
193: ok 6309
193: ok 6310
193: ok 6311
193: ok 6312
193: ok 6313
193: ok 6314
193: ok 6315
193: ok 6316
193: ok 6317
193: ok 6318
193: ok 6319
193: ok 6320
193: ok 6321
193: ok 6322
193: ok 6323
193: ok 6324
193: ok 6325
193: ok 6326
193: ok 6327
193: ok 6328
193: ok 6329
193: ok 6330
193: ok 6331
193: ok 6332
193: ok 6333
193: ok 6334
193: ok 6335
193: ok 6336
193: ok 6337
193: ok 6338
193: ok 6339
193: ok 6340
193: ok 6341
193: ok 6342
193: ok 6343
193: ok 6344
193: ok 6345
193: ok 6346
193: ok 6347
193: ok 6348
193: ok 6349
193: ok 6350
193: ok 6351
193: ok 6352
193: ok 6353
193: ok 6354
193: ok 6355
193: ok 6356
193: ok 6357
193: ok 6358
193: ok 6359
193: ok 6360
193: ok 6361
193: ok 6362
193: ok 6363
193: ok 6364
193: ok 6365
193: ok 6366
193: ok 6367
193: ok 6368
193: ok 6369
193: ok 6370
193: ok 6371
193: ok 6372
193: ok 6373
193: ok 6374
193: ok 6375
193: ok 6376
193: ok 6377
193: ok 6378
193: ok 6379
193: ok 6380
193: ok 6381
193: ok 6382
193: ok 6383
193: ok 6384
193: ok 6385
193: ok 6386
193: ok 6387
193: ok 6388
193: ok 6389
193: ok 6390
193: ok 6391
193: ok 6392
193: ok 6393
193: ok 6394
193: ok 6395
193: ok 6396
193: ok 6397
193: ok 6398
193: ok 6399
193: ok 6400
193: ok 6401
193: ok 6402
193: ok 6403
193: ok 6404
193: ok 6405
193: ok 6406
193: ok 6407
193: ok 6408
193: ok 6409
193: ok 6410
193: ok 6411
193: ok 6412
193: ok 6413
193: ok 6414
193: ok 6415
193: ok 6416
193: ok 6417
193: ok 6418
193: ok 6419
193: ok 6420
193: ok 6421
193: ok 6422
193: ok 6423
193: ok 6424
193: ok 6425
193: ok 6426
193: ok 6427
193: ok 6428
193: ok 6429
193: ok 6430
193: ok 6431
193: ok 6432
193: ok 6433
193: ok 6434
193: ok 6435
193: ok 6436
193: ok 6437
193: ok 6438
193: ok 6439
193: ok 6440
193: ok 6441
193: ok 6442
193: ok 6443
193: ok 6444
193: ok 6445
193: ok 6446
193: ok 6447
193: ok 6448
193: ok 6449
193: ok 6450
193: ok 6451
193: ok 6452
193: ok 6453
193: ok 6454
193: ok 6455
193: ok 6456
193: ok 6457
193: ok 6458
193: ok 6459
193: ok 6460
193: ok 6461
193: ok 6462
193: ok 6463
193: ok 6464
193: ok 6465
193: ok 6466
193: ok 6467
193: ok 6468
193: ok 6469
193: ok 6470
193: ok 6471
193: ok 6472
193: ok 6473
193: ok 6474
193: ok 6475
193: ok 6476
193: ok 6477
193: ok 6478
193: ok 6479
193: ok 6480
193: ok 6481
193: ok 6482
193: ok 6483
193: ok 6484
193: ok 6485
193: ok 6486
193: ok 6487
193: ok 6488
193: ok 6489
193: ok 6490
193: ok 6491
193: ok 6492
193: ok 6493
193: ok 6494
193: ok 6495
193: ok 6496
193: ok 6497
193: ok 6498
193: ok 6499
193: ok 6500
193: ok 6501
193: ok 6502
193: ok 6503
193: ok 6504
193: ok 6505
193: ok 6506
193: ok 6507
193: ok 6508
193: ok 6509
193: ok 6510
193: ok 6511
193: ok 6512
193: ok 6513
193: ok 6514
193: ok 6515
193: ok 6516
193: ok 6517
193: ok 6518
193: ok 6519
193: ok 6520
193: ok 6521
193: ok 6522
193: ok 6523
193: ok 6524
193: ok 6525
193: ok 6526
193: ok 6527
193: ok 6528
193: ok 6529
193: ok 6530
193: ok 6531
193: ok 6532
193: ok 6533
193: ok 6534
193: ok 6535
193: ok 6536
193: ok 6537
193: ok 6538
193: ok 6539
193: ok 6540
193: ok 6541
193: ok 6542
193: ok 6543
193: ok 6544
193: ok 6545
193: ok 6546
193: ok 6547
193: ok 6548
193: ok 6549
193: ok 6550
193: ok 6551
193: ok 6552
193: ok 6553
193: ok 6554
193: ok 6555
193: ok 6556
193: ok 6557
193: ok 6558
193: ok 6559
193: ok 6560
193: ok 6561
193: ok 6562
193: ok 6563
193: ok 6564
193: ok 6565
193: ok 6566
193: ok 6567
193: ok 6568
193: ok 6569
193: ok 6570
193: ok 6571
193: ok 6572
193: ok 6573
193: ok 6574
193: ok 6575
193: ok 6576
193: ok 6577
193: ok 6578
193: ok 6579
193: ok 6580
193: ok 6581
193: ok 6582
193: ok 6583
193: ok 6584
193: ok 6585
193: ok 6586
193: ok 6587
193: ok 6588
193: ok 6589
193: ok 6590
193: ok 6591
193: ok 6592
193: ok 6593
193: ok 6594
193: ok 6595
193: ok 6596
193: ok 6597
193: ok 6598
193: ok 6599
193: ok 6600
193: ok 6601
193: ok 6602
193: ok 6603
193: ok 6604
193: ok 6605
193: ok 6606
193: ok 6607
193: ok 6608
193: ok 6609
193: ok 6610
193: ok 6611
193: ok 6612
193: ok 6613
193: ok 6614
193: ok 6615
193: ok 6616
193: ok 6617
193: ok 6618
193: ok 6619
193: ok 6620
193: ok 6621
193: ok 6622
193: ok 6623
193: ok 6624
193: ok 6625
193: ok 6626
193: ok 6627
193: ok 6628
193: ok 6629
193: ok 6630
193: ok 6631
193: ok 6632
193: ok 6633
193: ok 6634
193: ok 6635
193: ok 6636
193: ok 6637
193: ok 6638
193: ok 6639
193: ok 6640
193: ok 6641
193: ok 6642
193: ok 6643
193: ok 6644
193: ok 6645
193: ok 6646
193: ok 6647
193: ok 6648
193: ok 6649
193: ok 6650
193: ok 6651
193: ok 6652
193: ok 6653
193: ok 6654
193: ok 6655
193: ok 6656
193: ok 6657
193: ok 6658
193: ok 6659
193: ok 6660
193: ok 6661
193: ok 6662
193: ok 6663
193: ok 6664
193: ok 6665
193: ok 6666
193: ok 6667
193: ok 6668
193: ok 6669
193: ok 6670
193: ok 6671
193: ok 6672
193: ok 6673
193: ok 6674
193: ok 6675
193: ok 6676
193: ok 6677
193: ok 6678
193: ok 6679
193: ok 6680
193: ok 6681
193: ok 6682
193: ok 6683
193: ok 6684
193: ok 6685
193: ok 6686
193: ok 6687
193: ok 6688
193: ok 6689
193: ok 6690
193: ok 6691
193: ok 6692
193: ok 6693
193: ok 6694
193: ok 6695
193: ok 6696
193: ok 6697
193: ok 6698
193: ok 6699
193: ok 6700
193: ok 6701
193: ok 6702
193: ok 6703
193: ok 6704
193: ok 6705
193: ok 6706
193: ok 6707
193: ok 6708
193: ok 6709
193: ok 6710
193: ok 6711
193: ok 6712
193: ok 6713
193: ok 6714
193: ok 6715
193: ok 6716
193: ok 6717
193: ok 6718
193: ok 6719
193: ok 6720
193: ok 6721
193: ok 6722
193: ok 6723
193: ok 6724
193: ok 6725
193: ok 6726
193: ok 6727
193: ok 6728
193: ok 6729
193: ok 6730
193: ok 6731
193: ok 6732
193: ok 6733
193: ok 6734
193: ok 6735
193: ok 6736
193: ok 6737
193: ok 6738
193: ok 6739
193: ok 6740
193: ok 6741
193: ok 6742
193: ok 6743
193: ok 6744
193: ok 6745
193: ok 6746
193: ok 6747
193: ok 6748
193: ok 6749
193: ok 6750
193: ok 6751
193: ok 6752
193: ok 6753
193: ok 6754
193: ok 6755
193: ok 6756
193: ok 6757
193: ok 6758
193: ok 6759
193: ok 6760
193: ok 6761
193: ok 6762
193: ok 6763
193: ok 6764
193: ok 6765
193: ok 6766
193: ok 6767
193: ok 6768
193: ok 6769
193: ok 6770
193: ok 6771
193: ok 6772
193: ok 6773
193: ok 6774
193: ok 6775
193: ok 6776
193: ok 6777
193: ok 6778
193: ok 6779
193: ok 6780
193: ok 6781
193: ok 6782
193: ok 6783
193: ok 6784
193: ok 6785
193: ok 6786
193: ok 6787
193: ok 6788
193: ok 6789
193: ok 6790
193: ok 6791
193: ok 6792
193: ok 6793
193: ok 6794
193: ok 6795
193: ok 6796
193: ok 6797
193: ok 6798
193: ok 6799
193: ok 6800
193: ok 6801
193: ok 6802
193: ok 6803
193: ok 6804
193: ok 6805
193: ok 6806
193: ok 6807
193: ok 6808
193: ok 6809
193: ok 6810
193: ok 6811
193: ok 6812
193: ok 6813
193: ok 6814
193: ok 6815
193: ok 6816
193: ok 6817
193: ok 6818
193: ok 6819
193: ok 6820
193: ok 6821
193: ok 6822
193: ok 6823
193: ok 6824
193: ok 6825
193: ok 6826
193: ok 6827
193: ok 6828
193: ok 6829
193: ok 6830
193: ok 6831
193: ok 6832
193: ok 6833
193: ok 6834
193: ok 6835
193: ok 6836
193: ok 6837
193: ok 6838
193: ok 6839
193: ok 6840
193: ok 6841
193: ok 6842
193: ok 6843
193: ok 6844
193: ok 6845
193: ok 6846
193: ok 6847
193: ok 6848
193: ok 6849
193: ok 6850
193: ok 6851
193: ok 6852
193: ok 6853
193: ok 6854
193: ok 6855
193: ok 6856
193: ok 6857
193: ok 6858
193: ok 6859
193: ok 6860
193: ok 6861
193: ok 6862
193: ok 6863
193: ok 6864
193: ok 6865
193: ok 6866
193: ok 6867
193: ok 6868
193: ok 6869
193: ok 6870
193: ok 6871
193: ok 6872
193: ok 6873
193: ok 6874
193: ok 6875
193: ok 6876
193: ok 6877
193: ok 6878
193: ok 6879
193: ok 6880
193: ok 6881
193: ok 6882
193: ok 6883
193: ok 6884
193: ok 6885
193: ok 6886
193: ok 6887
193: ok 6888
193: ok 6889
193: ok 6890
193: ok 6891
193: ok 6892
193: ok 6893
193: ok 6894
193: ok 6895
193: ok 6896
193: ok 6897
193: ok 6898
193: ok 6899
193: ok 6900
193: ok 6901
193: ok 6902
193: ok 6903
193: ok 6904
193: ok 6905
193: ok 6906
193: ok 6907
193: ok 6908
193: ok 6909
193: ok 6910
193: ok 6911
193: ok 6912
193: ok 6913
193: ok 6914
193: ok 6915
193: ok 6916
193: ok 6917
193: ok 6918
193: ok 6919
193: ok 6920
193: ok 6921
193: ok 6922
193: ok 6923
193: ok 6924
193: ok 6925
193: ok 6926
193: ok 6927
193: ok 6928
193: ok 6929
193: ok 6930
193: ok 6931
193: ok 6932
193: ok 6933
193: ok 6934
193: ok 6935
193: ok 6936
193: ok 6937
193: ok 6938
193: ok 6939
193: ok 6940
193: ok 6941
193: ok 6942
193: ok 6943
193: ok 6944
193: ok 6945
193: ok 6946
193: ok 6947
193: ok 6948
193: ok 6949
193: ok 6950
193: ok 6951
193: ok 6952
193: ok 6953
193: ok 6954
193: ok 6955
193: ok 6956
193: ok 6957
193: ok 6958
193: ok 6959
193: ok 6960
193: ok 6961
193: ok 6962
193: ok 6963
193: ok 6964
193: ok 6965
193: ok 6966
193: ok 6967
193: ok 6968
193: ok 6969
193: ok 6970
193: ok 6971
193: ok 6972
193: ok 6973
193: ok 6974
193: ok 6975
193: ok 6976
193: ok 6977
193: ok 6978
193: ok 6979
193: ok 6980
193: ok 6981
193: ok 6982
193: ok 6983
193: ok 6984
193: ok 6985
193: ok 6986
193: ok 6987
193: ok 6988
193: ok 6989
193: ok 6990
193: ok 6991
193: ok 6992
193: ok 6993
193: ok 6994
193: ok 6995
193: ok 6996
193: ok 6997
193: ok 6998
193: ok 6999
193: ok 7000
193: # math: passed testEigenvalues
193: # math: entering testEigenvectors
193: ok 7001
193: ok 7002
193: ok 7003
193: ok 7004
193: ok 7005
193: ok 7006
193: ok 7007
193: ok 7008
193: ok 7009
193: ok 7010
193: ok 7011
193: ok 7012
193: ok 7013
193: ok 7014
193: ok 7015
193: ok 7016
193: ok 7017
193: ok 7018
193: ok 7019
193: ok 7020
193: ok 7021
193: ok 7022
193: ok 7023
193: ok 7024
193: ok 7025
193: ok 7026
193: ok 7027
193: ok 7028
193: ok 7029
193: ok 7030
193: ok 7031
193: ok 7032
193: ok 7033
193: ok 7034
193: ok 7035
193: ok 7036
193: ok 7037
193: ok 7038
193: ok 7039
193: ok 7040
193: ok 7041
193: ok 7042
193: ok 7043
193: ok 7044
193: ok 7045
193: ok 7046
193: ok 7047
193: ok 7048
193: ok 7049
193: ok 7050
193: ok 7051
193: ok 7052
193: ok 7053
193: ok 7054
193: ok 7055
193: ok 7056
193: ok 7057
193: ok 7058
193: ok 7059
193: ok 7060
193: ok 7061
193: ok 7062
193: ok 7063
193: ok 7064
193: ok 7065
193: ok 7066
193: ok 7067
193: ok 7068
193: ok 7069
193: ok 7070
193: ok 7071
193: ok 7072
193: ok 7073
193: ok 7074
193: ok 7075
193: ok 7076
193: ok 7077
193: ok 7078
193: ok 7079
193: ok 7080
193: ok 7081
193: ok 7082
193: ok 7083
193: ok 7084
193: ok 7085
193: ok 7086
193: ok 7087
193: ok 7088
193: ok 7089
193: ok 7090
193: ok 7091
193: ok 7092
193: ok 7093
193: ok 7094
193: ok 7095
193: ok 7096
193: ok 7097
193: ok 7098
193: ok 7099
193: ok 7100
193: ok 7101
193: ok 7102
193: ok 7103
193: ok 7104
193: ok 7105
193: ok 7106
193: ok 7107
193: ok 7108
193: ok 7109
193: ok 7110
193: ok 7111
193: ok 7112
193: ok 7113
193: ok 7114
193: ok 7115
193: ok 7116
193: ok 7117
193: ok 7118
193: ok 7119
193: ok 7120
193: ok 7121
193: ok 7122
193: ok 7123
193: ok 7124
193: ok 7125
193: ok 7126
193: ok 7127
193: ok 7128
193: ok 7129
193: ok 7130
193: ok 7131
193: ok 7132
193: ok 7133
193: ok 7134
193: ok 7135
193: ok 7136
193: ok 7137
193: ok 7138
193: ok 7139
193: ok 7140
193: ok 7141
193: ok 7142
193: ok 7143
193: ok 7144
193: ok 7145
193: ok 7146
193: ok 7147
193: ok 7148
193: ok 7149
193: ok 7150
193: ok 7151
193: ok 7152
193: ok 7153
193: ok 7154
193: ok 7155
193: ok 7156
193: ok 7157
193: ok 7158
193: ok 7159
193: ok 7160
193: ok 7161
193: ok 7162
193: ok 7163
193: ok 7164
193: ok 7165
193: ok 7166
193: ok 7167
193: ok 7168
193: ok 7169
193: ok 7170
193: ok 7171
193: ok 7172
193: ok 7173
193: ok 7174
193: ok 7175
193: ok 7176
193: ok 7177
193: ok 7178
193: ok 7179
193: ok 7180
193: ok 7181
193: ok 7182
193: ok 7183
193: ok 7184
193: ok 7185
193: ok 7186
193: ok 7187
193: ok 7188
193: ok 7189
193: ok 7190
193: ok 7191
193: ok 7192
193: ok 7193
193: ok 7194
193: ok 7195
193: ok 7196
193: ok 7197
193: ok 7198
193: ok 7199
193: ok 7200
193: ok 7201
193: ok 7202
193: ok 7203
193: ok 7204
193: ok 7205
193: ok 7206
193: ok 7207
193: ok 7208
193: ok 7209
193: ok 7210
193: ok 7211
193: ok 7212
193: ok 7213
193: ok 7214
193: ok 7215
193: ok 7216
193: ok 7217
193: ok 7218
193: ok 7219
193: ok 7220
193: ok 7221
193: ok 7222
193: ok 7223
193: ok 7224
193: ok 7225
193: ok 7226
193: ok 7227
193: ok 7228
193: ok 7229
193: ok 7230
193: ok 7231
193: ok 7232
193: ok 7233
193: ok 7234
193: ok 7235
193: ok 7236
193: ok 7237
193: ok 7238
193: ok 7239
193: ok 7240
193: ok 7241
193: ok 7242
193: ok 7243
193: ok 7244
193: ok 7245
193: ok 7246
193: ok 7247
193: ok 7248
193: ok 7249
193: ok 7250
193: ok 7251
193: ok 7252
193: ok 7253
193: ok 7254
193: ok 7255
193: ok 7256
193: ok 7257
193: ok 7258
193: ok 7259
193: ok 7260
193: ok 7261
193: ok 7262
193: ok 7263
193: ok 7264
193: ok 7265
193: ok 7266
193: ok 7267
193: ok 7268
193: ok 7269
193: ok 7270
193: ok 7271
193: ok 7272
193: ok 7273
193: ok 7274
193: ok 7275
193: ok 7276
193: ok 7277
193: ok 7278
193: ok 7279
193: ok 7280
193: ok 7281
193: ok 7282
193: ok 7283
193: ok 7284
193: ok 7285
193: ok 7286
193: ok 7287
193: ok 7288
193: ok 7289
193: ok 7290
193: ok 7291
193: ok 7292
193: ok 7293
193: ok 7294
193: ok 7295
193: ok 7296
193: ok 7297
193: ok 7298
193: ok 7299
193: ok 7300
193: ok 7301
193: ok 7302
193: ok 7303
193: ok 7304
193: ok 7305
193: ok 7306
193: ok 7307
193: ok 7308
193: ok 7309
193: ok 7310
193: ok 7311
193: ok 7312
193: ok 7313
193: ok 7314
193: ok 7315
193: ok 7316
193: ok 7317
193: ok 7318
193: ok 7319
193: ok 7320
193: ok 7321
193: ok 7322
193: ok 7323
193: ok 7324
193: ok 7325
193: ok 7326
193: ok 7327
193: ok 7328
193: ok 7329
193: ok 7330
193: ok 7331
193: ok 7332
193: ok 7333
193: ok 7334
193: ok 7335
193: ok 7336
193: ok 7337
193: ok 7338
193: ok 7339
193: ok 7340
193: ok 7341
193: ok 7342
193: ok 7343
193: ok 7344
193: ok 7345
193: ok 7346
193: ok 7347
193: ok 7348
193: ok 7349
193: ok 7350
193: ok 7351
193: ok 7352
193: ok 7353
193: ok 7354
193: ok 7355
193: ok 7356
193: ok 7357
193: ok 7358
193: ok 7359
193: ok 7360
193: ok 7361
193: ok 7362
193: ok 7363
193: ok 7364
193: ok 7365
193: ok 7366
193: ok 7367
193: ok 7368
193: ok 7369
193: ok 7370
193: ok 7371
193: ok 7372
193: ok 7373
193: ok 7374
193: ok 7375
193: ok 7376
193: ok 7377
193: ok 7378
193: ok 7379
193: ok 7380
193: ok 7381
193: ok 7382
193: ok 7383
193: ok 7384
193: ok 7385
193: ok 7386
193: ok 7387
193: ok 7388
193: ok 7389
193: ok 7390
193: ok 7391
193: ok 7392
193: ok 7393
193: ok 7394
193: ok 7395
193: ok 7396
193: ok 7397
193: ok 7398
193: ok 7399
193: ok 7400
193: ok 7401
193: ok 7402
193: ok 7403
193: ok 7404
193: ok 7405
193: ok 7406
193: ok 7407
193: ok 7408
193: ok 7409
193: ok 7410
193: ok 7411
193: ok 7412
193: ok 7413
193: ok 7414
193: ok 7415
193: ok 7416
193: ok 7417
193: ok 7418
193: ok 7419
193: ok 7420
193: ok 7421
193: ok 7422
193: ok 7423
193: ok 7424
193: ok 7425
193: ok 7426
193: ok 7427
193: ok 7428
193: ok 7429
193: ok 7430
193: ok 7431
193: ok 7432
193: ok 7433
193: ok 7434
193: ok 7435
193: ok 7436
193: ok 7437
193: ok 7438
193: ok 7439
193: ok 7440
193: ok 7441
193: ok 7442
193: ok 7443
193: ok 7444
193: ok 7445
193: ok 7446
193: ok 7447
193: ok 7448
193: ok 7449
193: ok 7450
193: ok 7451
193: ok 7452
193: ok 7453
193: ok 7454
193: ok 7455
193: ok 7456
193: ok 7457
193: ok 7458
193: ok 7459
193: ok 7460
193: ok 7461
193: ok 7462
193: ok 7463
193: ok 7464
193: ok 7465
193: ok 7466
193: ok 7467
193: ok 7468
193: ok 7469
193: ok 7470
193: ok 7471
193: ok 7472
193: ok 7473
193: ok 7474
193: ok 7475
193: ok 7476
193: ok 7477
193: ok 7478
193: ok 7479
193: ok 7480
193: ok 7481
193: ok 7482
193: ok 7483
193: ok 7484
193: ok 7485
193: ok 7486
193: ok 7487
193: ok 7488
193: ok 7489
193: ok 7490
193: ok 7491
193: ok 7492
193: ok 7493
193: ok 7494
193: ok 7495
193: ok 7496
193: ok 7497
193: ok 7498
193: ok 7499
193: ok 7500
193: ok 7501
193: ok 7502
193: ok 7503
193: ok 7504
193: ok 7505
193: ok 7506
193: ok 7507
193: ok 7508
193: ok 7509
193: ok 7510
193: ok 7511
193: ok 7512
193: ok 7513
193: ok 7514
193: ok 7515
193: ok 7516
193: ok 7517
193: ok 7518
193: ok 7519
193: ok 7520
193: ok 7521
193: ok 7522
193: ok 7523
193: ok 7524
193: ok 7525
193: ok 7526
193: ok 7527
193: ok 7528
193: ok 7529
193: ok 7530
193: ok 7531
193: ok 7532
193: ok 7533
193: ok 7534
193: ok 7535
193: ok 7536
193: ok 7537
193: ok 7538
193: ok 7539
193: ok 7540
193: ok 7541
193: ok 7542
193: ok 7543
193: ok 7544
193: ok 7545
193: ok 7546
193: ok 7547
193: ok 7548
193: ok 7549
193: ok 7550
193: ok 7551
193: ok 7552
193: ok 7553
193: ok 7554
193: ok 7555
193: ok 7556
193: ok 7557
193: ok 7558
193: ok 7559
193: ok 7560
193: ok 7561
193: ok 7562
193: ok 7563
193: ok 7564
193: ok 7565
193: ok 7566
193: ok 7567
193: ok 7568
193: ok 7569
193: ok 7570
193: ok 7571
193: ok 7572
193: ok 7573
193: ok 7574
193: ok 7575
193: ok 7576
193: ok 7577
193: ok 7578
193: ok 7579
193: ok 7580
193: ok 7581
193: ok 7582
193: ok 7583
193: ok 7584
193: ok 7585
193: ok 7586
193: ok 7587
193: ok 7588
193: ok 7589
193: ok 7590
193: ok 7591
193: ok 7592
193: ok 7593
193: ok 7594
193: ok 7595
193: ok 7596
193: ok 7597
193: ok 7598
193: ok 7599
193: ok 7600
193: ok 7601
193: ok 7602
193: ok 7603
193: ok 7604
193: ok 7605
193: ok 7606
193: ok 7607
193: ok 7608
193: ok 7609
193: ok 7610
193: ok 7611
193: ok 7612
193: ok 7613
193: ok 7614
193: ok 7615
193: ok 7616
193: ok 7617
193: ok 7618
193: ok 7619
193: ok 7620
193: ok 7621
193: ok 7622
193: ok 7623
193: ok 7624
193: ok 7625
193: ok 7626
193: ok 7627
193: ok 7628
193: ok 7629
193: ok 7630
193: ok 7631
193: ok 7632
193: ok 7633
193: ok 7634
193: ok 7635
193: ok 7636
193: ok 7637
193: ok 7638
193: ok 7639
193: ok 7640
193: ok 7641
193: ok 7642
193: ok 7643
193: ok 7644
193: ok 7645
193: ok 7646
193: ok 7647
193: ok 7648
193: ok 7649
193: ok 7650
193: ok 7651
193: ok 7652
193: ok 7653
193: ok 7654
193: ok 7655
193: ok 7656
193: ok 7657
193: ok 7658
193: ok 7659
193: ok 7660
193: ok 7661
193: ok 7662
193: ok 7663
193: ok 7664
193: ok 7665
193: ok 7666
193: ok 7667
193: ok 7668
193: ok 7669
193: ok 7670
193: ok 7671
193: ok 7672
193: ok 7673
193: ok 7674
193: ok 7675
193: ok 7676
193: ok 7677
193: ok 7678
193: ok 7679
193: ok 7680
193: ok 7681
193: ok 7682
193: ok 7683
193: ok 7684
193: ok 7685
193: ok 7686
193: ok 7687
193: ok 7688
193: ok 7689
193: ok 7690
193: ok 7691
193: ok 7692
193: ok 7693
193: ok 7694
193: ok 7695
193: ok 7696
193: ok 7697
193: ok 7698
193: ok 7699
193: ok 7700
193: ok 7701
193: ok 7702
193: ok 7703
193: ok 7704
193: ok 7705
193: ok 7706
193: ok 7707
193: ok 7708
193: ok 7709
193: ok 7710
193: ok 7711
193: ok 7712
193: ok 7713
193: ok 7714
193: ok 7715
193: ok 7716
193: ok 7717
193: ok 7718
193: ok 7719
193: ok 7720
193: ok 7721
193: ok 7722
193: ok 7723
193: ok 7724
193: ok 7725
193: ok 7726
193: ok 7727
193: ok 7728
193: ok 7729
193: ok 7730
193: ok 7731
193: ok 7732
193: ok 7733
193: ok 7734
193: ok 7735
193: ok 7736
193: ok 7737
193: ok 7738
193: ok 7739
193: ok 7740
193: ok 7741
193: ok 7742
193: ok 7743
193: ok 7744
193: ok 7745
193: ok 7746
193: ok 7747
193: ok 7748
193: ok 7749
193: ok 7750
193: ok 7751
193: ok 7752
193: ok 7753
193: ok 7754
193: ok 7755
193: ok 7756
193: ok 7757
193: ok 7758
193: ok 7759
193: ok 7760
193: ok 7761
193: ok 7762
193: ok 7763
193: ok 7764
193: ok 7765
193: ok 7766
193: ok 7767
193: ok 7768
193: ok 7769
193: ok 7770
193: ok 7771
193: ok 7772
193: ok 7773
193: ok 7774
193: ok 7775
193: ok 7776
193: ok 7777
193: ok 7778
193: ok 7779
193: ok 7780
193: ok 7781
193: ok 7782
193: ok 7783
193: ok 7784
193: ok 7785
193: ok 7786
193: ok 7787
193: ok 7788
193: ok 7789
193: ok 7790
193: ok 7791
193: ok 7792
193: ok 7793
193: ok 7794
193: ok 7795
193: ok 7796
193: ok 7797
193: ok 7798
193: ok 7799
193: ok 7800
193: ok 7801
193: ok 7802
193: ok 7803
193: ok 7804
193: ok 7805
193: ok 7806
193: ok 7807
193: ok 7808
193: ok 7809
193: ok 7810
193: ok 7811
193: ok 7812
193: ok 7813
193: ok 7814
193: ok 7815
193: ok 7816
193: ok 7817
193: ok 7818
193: ok 7819
193: ok 7820
193: ok 7821
193: ok 7822
193: ok 7823
193: ok 7824
193: ok 7825
193: ok 7826
193: ok 7827
193: ok 7828
193: ok 7829
193: ok 7830
193: ok 7831
193: ok 7832
193: ok 7833
193: ok 7834
193: ok 7835
193: ok 7836
193: ok 7837
193: ok 7838
193: ok 7839
193: ok 7840
193: ok 7841
193: ok 7842
193: ok 7843
193: ok 7844
193: ok 7845
193: ok 7846
193: ok 7847
193: ok 7848
193: ok 7849
193: ok 7850
193: ok 7851
193: ok 7852
193: ok 7853
193: ok 7854
193: ok 7855
193: ok 7856
193: ok 7857
193: ok 7858
193: ok 7859
193: ok 7860
193: ok 7861
193: ok 7862
193: ok 7863
193: ok 7864
193: ok 7865
193: ok 7866
193: ok 7867
193: ok 7868
193: ok 7869
193: ok 7870
193: ok 7871
193: ok 7872
193: ok 7873
193: ok 7874
193: ok 7875
193: ok 7876
193: ok 7877
193: ok 7878
193: ok 7879
193: ok 7880
193: ok 7881
193: ok 7882
193: ok 7883
193: ok 7884
193: ok 7885
193: ok 7886
193: ok 7887
193: ok 7888
193: ok 7889
193: ok 7890
193: ok 7891
193: ok 7892
193: ok 7893
193: ok 7894
193: ok 7895
193: ok 7896
193: ok 7897
193: ok 7898
193: ok 7899
193: ok 7900
193: ok 7901
193: ok 7902
193: ok 7903
193: ok 7904
193: ok 7905
193: ok 7906
193: ok 7907
193: ok 7908
193: ok 7909
193: ok 7910
193: ok 7911
193: ok 7912
193: ok 7913
193: ok 7914
193: ok 7915
193: ok 7916
193: ok 7917
193: ok 7918
193: ok 7919
193: ok 7920
193: ok 7921
193: ok 7922
193: ok 7923
193: ok 7924
193: ok 7925
193: ok 7926
193: ok 7927
193: ok 7928
193: ok 7929
193: ok 7930
193: ok 7931
193: ok 7932
193: ok 7933
193: ok 7934
193: ok 7935
193: ok 7936
193: ok 7937
193: ok 7938
193: ok 7939
193: ok 7940
193: ok 7941
193: ok 7942
193: ok 7943
193: ok 7944
193: ok 7945
193: ok 7946
193: ok 7947
193: ok 7948
193: ok 7949
193: ok 7950
193: ok 7951
193: ok 7952
193: ok 7953
193: ok 7954
193: ok 7955
193: ok 7956
193: ok 7957
193: ok 7958
193: ok 7959
193: ok 7960
193: ok 7961
193: ok 7962
193: ok 7963
193: ok 7964
193: ok 7965
193: ok 7966
193: ok 7967
193: ok 7968
193: ok 7969
193: ok 7970
193: ok 7971
193: ok 7972
193: ok 7973
193: ok 7974
193: ok 7975
193: ok 7976
193: ok 7977
193: ok 7978
193: ok 7979
193: ok 7980
193: ok 7981
193: ok 7982
193: ok 7983
193: ok 7984
193: ok 7985
193: ok 7986
193: ok 7987
193: ok 7988
193: ok 7989
193: ok 7990
193: ok 7991
193: ok 7992
193: ok 7993
193: ok 7994
193: ok 7995
193: ok 7996
193: ok 7997
193: ok 7998
193: ok 7999
193: ok 8000
193: ok 8001
193: ok 8002
193: ok 8003
193: ok 8004
193: ok 8005
193: ok 8006
193: ok 8007
193: ok 8008
193: ok 8009
193: ok 8010
193: ok 8011
193: ok 8012
193: ok 8013
193: ok 8014
193: ok 8015
193: ok 8016
193: ok 8017
193: ok 8018
193: ok 8019
193: ok 8020
193: ok 8021
193: ok 8022
193: ok 8023
193: ok 8024
193: ok 8025
193: ok 8026
193: ok 8027
193: ok 8028
193: ok 8029
193: ok 8030
193: ok 8031
193: ok 8032
193: ok 8033
193: ok 8034
193: ok 8035
193: ok 8036
193: ok 8037
193: ok 8038
193: ok 8039
193: ok 8040
193: ok 8041
193: ok 8042
193: ok 8043
193: ok 8044
193: ok 8045
193: ok 8046
193: ok 8047
193: ok 8048
193: ok 8049
193: ok 8050
193: ok 8051
193: ok 8052
193: ok 8053
193: ok 8054
193: ok 8055
193: ok 8056
193: ok 8057
193: ok 8058
193: ok 8059
193: ok 8060
193: ok 8061
193: ok 8062
193: ok 8063
193: ok 8064
193: ok 8065
193: ok 8066
193: ok 8067
193: ok 8068
193: ok 8069
193: ok 8070
193: ok 8071
193: ok 8072
193: ok 8073
193: ok 8074
193: ok 8075
193: ok 8076
193: ok 8077
193: ok 8078
193: ok 8079
193: ok 8080
193: ok 8081
193: ok 8082
193: ok 8083
193: ok 8084
193: ok 8085
193: ok 8086
193: ok 8087
193: ok 8088
193: ok 8089
193: ok 8090
193: ok 8091
193: ok 8092
193: ok 8093
193: ok 8094
193: ok 8095
193: ok 8096
193: ok 8097
193: ok 8098
193: ok 8099
193: ok 8100
193: ok 8101
193: ok 8102
193: ok 8103
193: ok 8104
193: ok 8105
193: ok 8106
193: ok 8107
193: ok 8108
193: ok 8109
193: ok 8110
193: ok 8111
193: ok 8112
193: ok 8113
193: ok 8114
193: ok 8115
193: ok 8116
193: ok 8117
193: ok 8118
193: ok 8119
193: ok 8120
193: ok 8121
193: ok 8122
193: ok 8123
193: ok 8124
193: ok 8125
193: ok 8126
193: ok 8127
193: ok 8128
193: ok 8129
193: ok 8130
193: ok 8131
193: ok 8132
193: ok 8133
193: ok 8134
193: ok 8135
193: ok 8136
193: ok 8137
193: ok 8138
193: ok 8139
193: ok 8140
193: ok 8141
193: ok 8142
193: ok 8143
193: ok 8144
193: ok 8145
193: ok 8146
193: ok 8147
193: ok 8148
193: ok 8149
193: ok 8150
193: ok 8151
193: ok 8152
193: ok 8153
193: ok 8154
193: ok 8155
193: ok 8156
193: ok 8157
193: ok 8158
193: ok 8159
193: ok 8160
193: ok 8161
193: ok 8162
193: ok 8163
193: ok 8164
193: ok 8165
193: ok 8166
193: ok 8167
193: ok 8168
193: ok 8169
193: ok 8170
193: ok 8171
193: ok 8172
193: ok 8173
193: ok 8174
193: ok 8175
193: ok 8176
193: ok 8177
193: ok 8178
193: ok 8179
193: ok 8180
193: ok 8181
193: ok 8182
193: ok 8183
193: ok 8184
193: ok 8185
193: ok 8186
193: ok 8187
193: ok 8188
193: ok 8189
193: ok 8190
193: ok 8191
193: ok 8192
193: ok 8193
193: ok 8194
193: ok 8195
193: ok 8196
193: ok 8197
193: ok 8198
193: ok 8199
193: ok 8200
193: ok 8201
193: ok 8202
193: ok 8203
193: ok 8204
193: ok 8205
193: ok 8206
193: ok 8207
193: ok 8208
193: ok 8209
193: ok 8210
193: ok 8211
193: ok 8212
193: ok 8213
193: ok 8214
193: ok 8215
193: ok 8216
193: ok 8217
193: ok 8218
193: ok 8219
193: ok 8220
193: ok 8221
193: ok 8222
193: ok 8223
193: ok 8224
193: ok 8225
193: ok 8226
193: ok 8227
193: ok 8228
193: ok 8229
193: ok 8230
193: ok 8231
193: ok 8232
193: ok 8233
193: ok 8234
193: ok 8235
193: ok 8236
193: ok 8237
193: ok 8238
193: ok 8239
193: ok 8240
193: ok 8241
193: ok 8242
193: ok 8243
193: ok 8244
193: ok 8245
193: ok 8246
193: ok 8247
193: ok 8248
193: ok 8249
193: ok 8250
193: ok 8251
193: ok 8252
193: ok 8253
193: ok 8254
193: ok 8255
193: ok 8256
193: ok 8257
193: ok 8258
193: ok 8259
193: ok 8260
193: ok 8261
193: ok 8262
193: ok 8263
193: ok 8264
193: ok 8265
193: ok 8266
193: ok 8267
193: ok 8268
193: ok 8269
193: ok 8270
193: ok 8271
193: ok 8272
193: ok 8273
193: ok 8274
193: ok 8275
193: ok 8276
193: ok 8277
193: ok 8278
193: ok 8279
193: ok 8280
193: ok 8281
193: ok 8282
193: ok 8283
193: ok 8284
193: ok 8285
193: ok 8286
193: ok 8287
193: ok 8288
193: ok 8289
193: ok 8290
193: ok 8291
193: ok 8292
193: ok 8293
193: ok 8294
193: ok 8295
193: ok 8296
193: ok 8297
193: ok 8298
193: ok 8299
193: ok 8300
193: ok 8301
193: ok 8302
193: ok 8303
193: ok 8304
193: ok 8305
193: ok 8306
193: ok 8307
193: ok 8308
193: ok 8309
193: ok 8310
193: ok 8311
193: ok 8312
193: ok 8313
193: ok 8314
193: ok 8315
193: ok 8316
193: ok 8317
193: ok 8318
193: ok 8319
193: ok 8320
193: ok 8321
193: ok 8322
193: ok 8323
193: ok 8324
193: ok 8325
193: ok 8326
193: ok 8327
193: ok 8328
193: ok 8329
193: ok 8330
193: ok 8331
193: ok 8332
193: ok 8333
193: ok 8334
193: ok 8335
193: ok 8336
193: ok 8337
193: ok 8338
193: ok 8339
193: ok 8340
193: ok 8341
193: ok 8342
193: ok 8343
193: ok 8344
193: ok 8345
193: ok 8346
193: ok 8347
193: ok 8348
193: ok 8349
193: ok 8350
193: ok 8351
193: ok 8352
193: ok 8353
193: ok 8354
193: ok 8355
193: ok 8356
193: ok 8357
193: ok 8358
193: ok 8359
193: ok 8360
193: ok 8361
193: ok 8362
193: ok 8363
193: ok 8364
193: ok 8365
193: ok 8366
193: ok 8367
193: ok 8368
193: ok 8369
193: ok 8370
193: ok 8371
193: ok 8372
193: ok 8373
193: ok 8374
193: ok 8375
193: ok 8376
193: ok 8377
193: ok 8378
193: ok 8379
193: ok 8380
193: ok 8381
193: ok 8382
193: ok 8383
193: ok 8384
193: ok 8385
193: ok 8386
193: ok 8387
193: ok 8388
193: ok 8389
193: ok 8390
193: ok 8391
193: ok 8392
193: ok 8393
193: ok 8394
193: ok 8395
193: ok 8396
193: ok 8397
193: ok 8398
193: ok 8399
193: ok 8400
193: ok 8401
193: ok 8402
193: ok 8403
193: ok 8404
193: ok 8405
193: ok 8406
193: ok 8407
193: ok 8408
193: ok 8409
193: ok 8410
193: ok 8411
193: ok 8412
193: ok 8413
193: ok 8414
193: ok 8415
193: ok 8416
193: ok 8417
193: ok 8418
193: ok 8419
193: ok 8420
193: ok 8421
193: ok 8422
193: ok 8423
193: ok 8424
193: ok 8425
193: ok 8426
193: ok 8427
193: ok 8428
193: ok 8429
193: ok 8430
193: ok 8431
193: ok 8432
193: ok 8433
193: ok 8434
193: ok 8435
193: ok 8436
193: ok 8437
193: ok 8438
193: ok 8439
193: ok 8440
193: ok 8441
193: ok 8442
193: ok 8443
193: ok 8444
193: ok 8445
193: ok 8446
193: ok 8447
193: ok 8448
193: ok 8449
193: ok 8450
193: ok 8451
193: ok 8452
193: ok 8453
193: ok 8454
193: ok 8455
193: ok 8456
193: ok 8457
193: ok 8458
193: ok 8459
193: ok 8460
193: ok 8461
193: ok 8462
193: ok 8463
193: ok 8464
193: ok 8465
193: ok 8466
193: ok 8467
193: ok 8468
193: ok 8469
193: ok 8470
193: ok 8471
193: ok 8472
193: ok 8473
193: ok 8474
193: ok 8475
193: ok 8476
193: ok 8477
193: ok 8478
193: ok 8479
193: ok 8480
193: ok 8481
193: ok 8482
193: ok 8483
193: ok 8484
193: ok 8485
193: ok 8486
193: ok 8487
193: ok 8488
193: ok 8489
193: ok 8490
193: ok 8491
193: ok 8492
193: ok 8493
193: ok 8494
193: ok 8495
193: ok 8496
193: ok 8497
193: ok 8498
193: ok 8499
193: ok 8500
193: ok 8501
193: ok 8502
193: ok 8503
193: ok 8504
193: ok 8505
193: ok 8506
193: ok 8507
193: ok 8508
193: ok 8509
193: ok 8510
193: ok 8511
193: ok 8512
193: ok 8513
193: ok 8514
193: ok 8515
193: ok 8516
193: ok 8517
193: ok 8518
193: ok 8519
193: ok 8520
193: ok 8521
193: ok 8522
193: ok 8523
193: ok 8524
193: ok 8525
193: ok 8526
193: ok 8527
193: ok 8528
193: ok 8529
193: ok 8530
193: ok 8531
193: ok 8532
193: ok 8533
193: ok 8534
193: ok 8535
193: ok 8536
193: ok 8537
193: ok 8538
193: ok 8539
193: ok 8540
193: ok 8541
193: ok 8542
193: ok 8543
193: ok 8544
193: ok 8545
193: ok 8546
193: ok 8547
193: ok 8548
193: ok 8549
193: ok 8550
193: ok 8551
193: ok 8552
193: ok 8553
193: ok 8554
193: ok 8555
193: ok 8556
193: ok 8557
193: ok 8558
193: ok 8559
193: ok 8560
193: ok 8561
193: ok 8562
193: ok 8563
193: ok 8564
193: ok 8565
193: ok 8566
193: ok 8567
193: ok 8568
193: ok 8569
193: ok 8570
193: ok 8571
193: ok 8572
193: ok 8573
193: ok 8574
193: ok 8575
193: ok 8576
193: ok 8577
193: ok 8578
193: ok 8579
193: ok 8580
193: ok 8581
193: ok 8582
193: ok 8583
193: ok 8584
193: ok 8585
193: ok 8586
193: ok 8587
193: ok 8588
193: ok 8589
193: ok 8590
193: ok 8591
193: ok 8592
193: ok 8593
193: ok 8594
193: ok 8595
193: ok 8596
193: ok 8597
193: ok 8598
193: ok 8599
193: ok 8600
193: ok 8601
193: ok 8602
193: ok 8603
193: ok 8604
193: ok 8605
193: ok 8606
193: ok 8607
193: ok 8608
193: ok 8609
193: ok 8610
193: ok 8611
193: ok 8612
193: ok 8613
193: ok 8614
193: ok 8615
193: ok 8616
193: ok 8617
193: ok 8618
193: ok 8619
193: ok 8620
193: ok 8621
193: ok 8622
193: ok 8623
193: ok 8624
193: ok 8625
193: ok 8626
193: ok 8627
193: ok 8628
193: ok 8629
193: ok 8630
193: ok 8631
193: ok 8632
193: ok 8633
193: ok 8634
193: ok 8635
193: ok 8636
193: ok 8637
193: ok 8638
193: ok 8639
193: ok 8640
193: ok 8641
193: ok 8642
193: ok 8643
193: ok 8644
193: ok 8645
193: ok 8646
193: ok 8647
193: ok 8648
193: ok 8649
193: ok 8650
193: ok 8651
193: ok 8652
193: ok 8653
193: ok 8654
193: ok 8655
193: ok 8656
193: ok 8657
193: ok 8658
193: ok 8659
193: ok 8660
193: ok 8661
193: ok 8662
193: ok 8663
193: ok 8664
193: ok 8665
193: ok 8666
193: ok 8667
193: ok 8668
193: ok 8669
193: ok 8670
193: ok 8671
193: ok 8672
193: ok 8673
193: ok 8674
193: ok 8675
193: ok 8676
193: ok 8677
193: ok 8678
193: ok 8679
193: ok 8680
193: ok 8681
193: ok 8682
193: ok 8683
193: ok 8684
193: ok 8685
193: ok 8686
193: ok 8687
193: ok 8688
193: ok 8689
193: ok 8690
193: ok 8691
193: ok 8692
193: ok 8693
193: ok 8694
193: ok 8695
193: ok 8696
193: ok 8697
193: ok 8698
193: ok 8699
193: ok 8700
193: ok 8701
193: ok 8702
193: ok 8703
193: ok 8704
193: ok 8705
193: ok 8706
193: ok 8707
193: ok 8708
193: ok 8709
193: ok 8710
193: ok 8711
193: ok 8712
193: ok 8713
193: ok 8714
193: ok 8715
193: ok 8716
193: ok 8717
193: ok 8718
193: ok 8719
193: ok 8720
193: ok 8721
193: ok 8722
193: ok 8723
193: ok 8724
193: ok 8725
193: ok 8726
193: ok 8727
193: ok 8728
193: ok 8729
193: ok 8730
193: ok 8731
193: ok 8732
193: ok 8733
193: ok 8734
193: ok 8735
193: ok 8736
193: ok 8737
193: ok 8738
193: ok 8739
193: ok 8740
193: ok 8741
193: ok 8742
193: ok 8743
193: ok 8744
193: ok 8745
193: ok 8746
193: ok 8747
193: ok 8748
193: ok 8749
193: ok 8750
193: ok 8751
193: ok 8752
193: ok 8753
193: ok 8754
193: ok 8755
193: ok 8756
193: ok 8757
193: ok 8758
193: ok 8759
193: ok 8760
193: ok 8761
193: ok 8762
193: ok 8763
193: ok 8764
193: ok 8765
193: ok 8766
193: ok 8767
193: ok 8768
193: ok 8769
193: ok 8770
193: ok 8771
193: ok 8772
193: ok 8773
193: ok 8774
193: ok 8775
193: ok 8776
193: ok 8777
193: ok 8778
193: ok 8779
193: ok 8780
193: ok 8781
193: ok 8782
193: ok 8783
193: ok 8784
193: ok 8785
193: ok 8786
193: ok 8787
193: ok 8788
193: ok 8789
193: ok 8790
193: ok 8791
193: ok 8792
193: ok 8793
193: ok 8794
193: ok 8795
193: ok 8796
193: ok 8797
193: ok 8798
193: ok 8799
193: ok 8800
193: ok 8801
193: ok 8802
193: ok 8803
193: ok 8804
193: ok 8805
193: ok 8806
193: ok 8807
193: ok 8808
193: ok 8809
193: ok 8810
193: ok 8811
193: ok 8812
193: ok 8813
193: ok 8814
193: ok 8815
193: ok 8816
193: ok 8817
193: ok 8818
193: ok 8819
193: ok 8820
193: ok 8821
193: ok 8822
193: ok 8823
193: ok 8824
193: ok 8825
193: ok 8826
193: ok 8827
193: ok 8828
193: ok 8829
193: ok 8830
193: ok 8831
193: ok 8832
193: ok 8833
193: ok 8834
193: ok 8835
193: ok 8836
193: ok 8837
193: ok 8838
193: ok 8839
193: ok 8840
193: ok 8841
193: ok 8842
193: ok 8843
193: ok 8844
193: ok 8845
193: ok 8846
193: ok 8847
193: ok 8848
193: ok 8849
193: ok 8850
193: ok 8851
193: ok 8852
193: ok 8853
193: ok 8854
193: ok 8855
193: ok 8856
193: ok 8857
193: ok 8858
193: ok 8859
193: ok 8860
193: ok 8861
193: ok 8862
193: ok 8863
193: ok 8864
193: ok 8865
193: ok 8866
193: ok 8867
193: ok 8868
193: ok 8869
193: ok 8870
193: ok 8871
193: ok 8872
193: ok 8873
193: ok 8874
193: ok 8875
193: ok 8876
193: ok 8877
193: ok 8878
193: ok 8879
193: ok 8880
193: ok 8881
193: ok 8882
193: ok 8883
193: ok 8884
193: ok 8885
193: ok 8886
193: ok 8887
193: ok 8888
193: ok 8889
193: ok 8890
193: ok 8891
193: ok 8892
193: ok 8893
193: ok 8894
193: ok 8895
193: ok 8896
193: ok 8897
193: ok 8898
193: ok 8899
193: ok 8900
193: ok 8901
193: ok 8902
193: ok 8903
193: ok 8904
193: ok 8905
193: ok 8906
193: ok 8907
193: ok 8908
193: ok 8909
193: ok 8910
193: ok 8911
193: ok 8912
193: ok 8913
193: ok 8914
193: ok 8915
193: ok 8916
193: ok 8917
193: ok 8918
193: ok 8919
193: ok 8920
193: ok 8921
193: ok 8922
193: ok 8923
193: ok 8924
193: ok 8925
193: ok 8926
193: ok 8927
193: ok 8928
193: ok 8929
193: ok 8930
193: ok 8931
193: ok 8932
193: ok 8933
193: ok 8934
193: ok 8935
193: ok 8936
193: ok 8937
193: ok 8938
193: ok 8939
193: ok 8940
193: ok 8941
193: ok 8942
193: ok 8943
193: ok 8944
193: ok 8945
193: ok 8946
193: ok 8947
193: ok 8948
193: ok 8949
193: ok 8950
193: ok 8951
193: ok 8952
193: ok 8953
193: ok 8954
193: ok 8955
193: ok 8956
193: ok 8957
193: ok 8958
193: ok 8959
193: ok 8960
193: ok 8961
193: ok 8962
193: ok 8963
193: ok 8964
193: ok 8965
193: ok 8966
193: ok 8967
193: ok 8968
193: ok 8969
193: ok 8970
193: ok 8971
193: ok 8972
193: ok 8973
193: ok 8974
193: ok 8975
193: ok 8976
193: ok 8977
193: ok 8978
193: ok 8979
193: ok 8980
193: ok 8981
193: ok 8982
193: ok 8983
193: ok 8984
193: ok 8985
193: ok 8986
193: ok 8987
193: ok 8988
193: ok 8989
193: ok 8990
193: ok 8991
193: ok 8992
193: ok 8993
193: ok 8994
193: ok 8995
193: ok 8996
193: ok 8997
193: ok 8998
193: ok 8999
193: ok 9000
193: ok 9001
193: ok 9002
193: ok 9003
193: ok 9004
193: ok 9005
193: ok 9006
193: ok 9007
193: ok 9008
193: ok 9009
193: ok 9010
193: ok 9011
193: ok 9012
193: ok 9013
193: ok 9014
193: ok 9015
193: ok 9016
193: ok 9017
193: ok 9018
193: ok 9019
193: ok 9020
193: ok 9021
193: ok 9022
193: ok 9023
193: ok 9024
193: ok 9025
193: ok 9026
193: ok 9027
193: ok 9028
193: ok 9029
193: ok 9030
193: ok 9031
193: ok 9032
193: ok 9033
193: ok 9034
193: ok 9035
193: ok 9036
193: ok 9037
193: ok 9038
193: ok 9039
193: ok 9040
193: ok 9041
193: ok 9042
193: ok 9043
193: ok 9044
193: ok 9045
193: ok 9046
193: ok 9047
193: ok 9048
193: ok 9049
193: ok 9050
193: ok 9051
193: ok 9052
193: ok 9053
193: ok 9054
193: ok 9055
193: ok 9056
193: ok 9057
193: ok 9058
193: ok 9059
193: ok 9060
193: ok 9061
193: ok 9062
193: ok 9063
193: ok 9064
193: ok 9065
193: ok 9066
193: ok 9067
193: ok 9068
193: ok 9069
193: ok 9070
193: ok 9071
193: ok 9072
193: ok 9073
193: ok 9074
193: ok 9075
193: ok 9076
193: ok 9077
193: ok 9078
193: ok 9079
193: ok 9080
193: ok 9081
193: ok 9082
193: ok 9083
193: ok 9084
193: ok 9085
193: ok 9086
193: ok 9087
193: ok 9088
193: ok 9089
193: ok 9090
193: ok 9091
193: ok 9092
193: ok 9093
193: ok 9094
193: ok 9095
193: ok 9096
193: ok 9097
193: ok 9098
193: ok 9099
193: ok 9100
193: ok 9101
193: ok 9102
193: ok 9103
193: ok 9104
193: ok 9105
193: ok 9106
193: ok 9107
193: ok 9108
193: ok 9109
193: ok 9110
193: ok 9111
193: ok 9112
193: ok 9113
193: ok 9114
193: ok 9115
193: ok 9116
193: ok 9117
193: ok 9118
193: ok 9119
193: ok 9120
193: ok 9121
193: ok 9122
193: ok 9123
193: ok 9124
193: ok 9125
193: ok 9126
193: ok 9127
193: ok 9128
193: ok 9129
193: ok 9130
193: ok 9131
193: ok 9132
193: ok 9133
193: ok 9134
193: ok 9135
193: ok 9136
193: ok 9137
193: ok 9138
193: ok 9139
193: ok 9140
193: ok 9141
193: ok 9142
193: ok 9143
193: ok 9144
193: ok 9145
193: ok 9146
193: ok 9147
193: ok 9148
193: ok 9149
193: ok 9150
193: ok 9151
193: ok 9152
193: ok 9153
193: ok 9154
193: ok 9155
193: ok 9156
193: ok 9157
193: ok 9158
193: ok 9159
193: ok 9160
193: ok 9161
193: ok 9162
193: ok 9163
193: ok 9164
193: ok 9165
193: ok 9166
193: ok 9167
193: ok 9168
193: ok 9169
193: ok 9170
193: ok 9171
193: ok 9172
193: ok 9173
193: ok 9174
193: ok 9175
193: ok 9176
193: ok 9177
193: ok 9178
193: ok 9179
193: ok 9180
193: ok 9181
193: ok 9182
193: ok 9183
193: ok 9184
193: ok 9185
193: ok 9186
193: ok 9187
193: ok 9188
193: ok 9189
193: ok 9190
193: ok 9191
193: ok 9192
193: ok 9193
193: ok 9194
193: ok 9195
193: ok 9196
193: ok 9197
193: ok 9198
193: ok 9199
193: ok 9200
193: ok 9201
193: ok 9202
193: ok 9203
193: ok 9204
193: ok 9205
193: ok 9206
193: ok 9207
193: ok 9208
193: ok 9209
193: ok 9210
193: ok 9211
193: ok 9212
193: ok 9213
193: ok 9214
193: ok 9215
193: ok 9216
193: ok 9217
193: ok 9218
193: ok 9219
193: ok 9220
193: ok 9221
193: ok 9222
193: ok 9223
193: ok 9224
193: ok 9225
193: ok 9226
193: ok 9227
193: ok 9228
193: ok 9229
193: ok 9230
193: ok 9231
193: ok 9232
193: ok 9233
193: ok 9234
193: ok 9235
193: ok 9236
193: ok 9237
193: ok 9238
193: ok 9239
193: ok 9240
193: ok 9241
193: ok 9242
193: ok 9243
193: ok 9244
193: ok 9245
193: ok 9246
193: ok 9247
193: ok 9248
193: ok 9249
193: ok 9250
193: ok 9251
193: ok 9252
193: ok 9253
193: ok 9254
193: ok 9255
193: ok 9256
193: ok 9257
193: ok 9258
193: ok 9259
193: ok 9260
193: ok 9261
193: ok 9262
193: ok 9263
193: ok 9264
193: ok 9265
193: ok 9266
193: ok 9267
193: ok 9268
193: ok 9269
193: ok 9270
193: ok 9271
193: ok 9272
193: ok 9273
193: ok 9274
193: ok 9275
193: ok 9276
193: ok 9277
193: ok 9278
193: ok 9279
193: ok 9280
193: ok 9281
193: ok 9282
193: ok 9283
193: ok 9284
193: ok 9285
193: ok 9286
193: ok 9287
193: ok 9288
193: ok 9289
193: ok 9290
193: ok 9291
193: ok 9292
193: ok 9293
193: ok 9294
193: ok 9295
193: ok 9296
193: ok 9297
193: ok 9298
193: ok 9299
193: ok 9300
193: ok 9301
193: ok 9302
193: ok 9303
193: ok 9304
193: ok 9305
193: ok 9306
193: ok 9307
193: ok 9308
193: ok 9309
193: ok 9310
193: ok 9311
193: ok 9312
193: ok 9313
193: ok 9314
193: ok 9315
193: ok 9316
193: ok 9317
193: ok 9318
193: ok 9319
193: ok 9320
193: ok 9321
193: ok 9322
193: ok 9323
193: ok 9324
193: ok 9325
193: ok 9326
193: ok 9327
193: ok 9328
193: ok 9329
193: ok 9330
193: ok 9331
193: ok 9332
193: ok 9333
193: ok 9334
193: ok 9335
193: ok 9336
193: ok 9337
193: ok 9338
193: ok 9339
193: ok 9340
193: ok 9341
193: ok 9342
193: ok 9343
193: ok 9344
193: ok 9345
193: ok 9346
193: ok 9347
193: ok 9348
193: ok 9349
193: ok 9350
193: ok 9351
193: ok 9352
193: ok 9353
193: ok 9354
193: ok 9355
193: ok 9356
193: ok 9357
193: ok 9358
193: ok 9359
193: ok 9360
193: ok 9361
193: ok 9362
193: ok 9363
193: ok 9364
193: ok 9365
193: ok 9366
193: ok 9367
193: ok 9368
193: ok 9369
193: ok 9370
193: ok 9371
193: ok 9372
193: ok 9373
193: ok 9374
193: ok 9375
193: ok 9376
193: ok 9377
193: ok 9378
193: ok 9379
193: ok 9380
193: ok 9381
193: ok 9382
193: ok 9383
193: ok 9384
193: ok 9385
193: ok 9386
193: ok 9387
193: ok 9388
193: ok 9389
193: ok 9390
193: ok 9391
193: ok 9392
193: ok 9393
193: ok 9394
193: ok 9395
193: ok 9396
193: ok 9397
193: ok 9398
193: ok 9399
193: ok 9400
193: ok 9401
193: ok 9402
193: ok 9403
193: ok 9404
193: ok 9405
193: ok 9406
193: ok 9407
193: ok 9408
193: ok 9409
193: ok 9410
193: ok 9411
193: ok 9412
193: ok 9413
193: ok 9414
193: ok 9415
193: ok 9416
193: ok 9417
193: ok 9418
193: ok 9419
193: ok 9420
193: ok 9421
193: ok 9422
193: ok 9423
193: ok 9424
193: ok 9425
193: ok 9426
193: ok 9427
193: ok 9428
193: ok 9429
193: ok 9430
193: ok 9431
193: ok 9432
193: ok 9433
193: ok 9434
193: ok 9435
193: ok 9436
193: ok 9437
193: ok 9438
193: ok 9439
193: ok 9440
193: ok 9441
193: ok 9442
193: ok 9443
193: ok 9444
193: ok 9445
193: ok 9446
193: ok 9447
193: ok 9448
193: ok 9449
193: ok 9450
193: ok 9451
193: ok 9452
193: ok 9453
193: ok 9454
193: ok 9455
193: ok 9456
193: ok 9457
193: ok 9458
193: ok 9459
193: ok 9460
193: ok 9461
193: ok 9462
193: ok 9463
193: ok 9464
193: ok 9465
193: ok 9466
193: ok 9467
193: ok 9468
193: ok 9469
193: ok 9470
193: ok 9471
193: ok 9472
193: ok 9473
193: ok 9474
193: ok 9475
193: ok 9476
193: ok 9477
193: ok 9478
193: ok 9479
193: ok 9480
193: ok 9481
193: ok 9482
193: ok 9483
193: ok 9484
193: ok 9485
193: ok 9486
193: ok 9487
193: ok 9488
193: ok 9489
193: ok 9490
193: ok 9491
193: ok 9492
193: ok 9493
193: ok 9494
193: ok 9495
193: ok 9496
193: ok 9497
193: ok 9498
193: ok 9499
193: ok 9500
193: ok 9501
193: ok 9502
193: ok 9503
193: ok 9504
193: ok 9505
193: ok 9506
193: ok 9507
193: ok 9508
193: ok 9509
193: ok 9510
193: ok 9511
193: ok 9512
193: ok 9513
193: ok 9514
193: ok 9515
193: ok 9516
193: ok 9517
193: ok 9518
193: ok 9519
193: ok 9520
193: ok 9521
193: ok 9522
193: ok 9523
193: ok 9524
193: ok 9525
193: ok 9526
193: ok 9527
193: ok 9528
193: ok 9529
193: ok 9530
193: ok 9531
193: ok 9532
193: ok 9533
193: ok 9534
193: ok 9535
193: ok 9536
193: ok 9537
193: ok 9538
193: ok 9539
193: ok 9540
193: ok 9541
193: ok 9542
193: ok 9543
193: ok 9544
193: ok 9545
193: ok 9546
193: ok 9547
193: ok 9548
193: ok 9549
193: ok 9550
193: ok 9551
193: ok 9552
193: ok 9553
193: ok 9554
193: ok 9555
193: ok 9556
193: ok 9557
193: ok 9558
193: ok 9559
193: ok 9560
193: ok 9561
193: ok 9562
193: ok 9563
193: ok 9564
193: ok 9565
193: ok 9566
193: ok 9567
193: ok 9568
193: ok 9569
193: ok 9570
193: ok 9571
193: ok 9572
193: ok 9573
193: ok 9574
193: ok 9575
193: ok 9576
193: ok 9577
193: ok 9578
193: ok 9579
193: ok 9580
193: ok 9581
193: ok 9582
193: ok 9583
193: ok 9584
193: ok 9585
193: ok 9586
193: ok 9587
193: ok 9588
193: ok 9589
193: ok 9590
193: ok 9591
193: ok 9592
193: ok 9593
193: ok 9594
193: ok 9595
193: ok 9596
193: ok 9597
193: ok 9598
193: ok 9599
193: ok 9600
193: ok 9601
193: ok 9602
193: ok 9603
193: ok 9604
193: ok 9605
193: ok 9606
193: ok 9607
193: ok 9608
193: ok 9609
193: ok 9610
193: ok 9611
193: ok 9612
193: ok 9613
193: ok 9614
193: ok 9615
193: ok 9616
193: ok 9617
193: ok 9618
193: ok 9619
193: ok 9620
193: ok 9621
193: ok 9622
193: ok 9623
193: ok 9624
193: ok 9625
193: ok 9626
193: ok 9627
193: ok 9628
193: ok 9629
193: ok 9630
193: ok 9631
193: ok 9632
193: ok 9633
193: ok 9634
193: ok 9635
193: ok 9636
193: ok 9637
193: ok 9638
193: ok 9639
193: ok 9640
193: ok 9641
193: ok 9642
193: ok 9643
193: ok 9644
193: ok 9645
193: ok 9646
193: ok 9647
193: ok 9648
193: ok 9649
193: ok 9650
193: ok 9651
193: ok 9652
193: ok 9653
193: ok 9654
193: ok 9655
193: ok 9656
193: ok 9657
193: ok 9658
193: ok 9659
193: ok 9660
193: ok 9661
193: ok 9662
193: ok 9663
193: ok 9664
193: ok 9665
193: ok 9666
193: ok 9667
193: ok 9668
193: ok 9669
193: ok 9670
193: ok 9671
193: ok 9672
193: ok 9673
193: ok 9674
193: ok 9675
193: ok 9676
193: ok 9677
193: ok 9678
193: ok 9679
193: ok 9680
193: ok 9681
193: ok 9682
193: ok 9683
193: ok 9684
193: ok 9685
193: ok 9686
193: ok 9687
193: ok 9688
193: ok 9689
193: ok 9690
193: ok 9691
193: ok 9692
193: ok 9693
193: ok 9694
193: ok 9695
193: ok 9696
193: ok 9697
193: ok 9698
193: ok 9699
193: ok 9700
193: ok 9701
193: ok 9702
193: ok 9703
193: ok 9704
193: ok 9705
193: ok 9706
193: ok 9707
193: ok 9708
193: ok 9709
193: ok 9710
193: ok 9711
193: ok 9712
193: ok 9713
193: ok 9714
193: ok 9715
193: ok 9716
193: ok 9717
193: ok 9718
193: ok 9719
193: ok 9720
193: ok 9721
193: ok 9722
193: ok 9723
193: ok 9724
193: ok 9725
193: ok 9726
193: ok 9727
193: ok 9728
193: ok 9729
193: ok 9730
193: ok 9731
193: ok 9732
193: ok 9733
193: ok 9734
193: ok 9735
193: ok 9736
193: ok 9737
193: ok 9738
193: ok 9739
193: ok 9740
193: ok 9741
193: ok 9742
193: ok 9743
193: ok 9744
193: ok 9745
193: ok 9746
193: ok 9747
193: ok 9748
193: ok 9749
193: ok 9750
193: ok 9751
193: ok 9752
193: ok 9753
193: ok 9754
193: ok 9755
193: ok 9756
193: ok 9757
193: ok 9758
193: ok 9759
193: ok 9760
193: ok 9761
193: ok 9762
193: ok 9763
193: ok 9764
193: ok 9765
193: ok 9766
193: ok 9767
193: ok 9768
193: ok 9769
193: ok 9770
193: ok 9771
193: ok 9772
193: ok 9773
193: ok 9774
193: ok 9775
193: ok 9776
193: ok 9777
193: ok 9778
193: ok 9779
193: ok 9780
193: ok 9781
193: ok 9782
193: ok 9783
193: ok 9784
193: ok 9785
193: ok 9786
193: ok 9787
193: ok 9788
193: ok 9789
193: ok 9790
193: ok 9791
193: ok 9792
193: ok 9793
193: ok 9794
193: ok 9795
193: ok 9796
193: ok 9797
193: ok 9798
193: ok 9799
193: ok 9800
193: ok 9801
193: ok 9802
193: ok 9803
193: ok 9804
193: ok 9805
193: ok 9806
193: ok 9807
193: ok 9808
193: ok 9809
193: ok 9810
193: ok 9811
193: ok 9812
193: ok 9813
193: ok 9814
193: ok 9815
193: ok 9816
193: ok 9817
193: ok 9818
193: ok 9819
193: ok 9820
193: ok 9821
193: ok 9822
193: ok 9823
193: ok 9824
193: ok 9825
193: ok 9826
193: ok 9827
193: ok 9828
193: ok 9829
193: ok 9830
193: ok 9831
193: ok 9832
193: ok 9833
193: ok 9834
193: ok 9835
193: ok 9836
193: ok 9837
193: ok 9838
193: ok 9839
193: ok 9840
193: ok 9841
193: ok 9842
193: ok 9843
193: ok 9844
193: ok 9845
193: ok 9846
193: ok 9847
193: ok 9848
193: ok 9849
193: ok 9850
193: ok 9851
193: ok 9852
193: ok 9853
193: ok 9854
193: ok 9855
193: ok 9856
193: ok 9857
193: ok 9858
193: ok 9859
193: ok 9860
193: ok 9861
193: ok 9862
193: ok 9863
193: ok 9864
193: ok 9865
193: ok 9866
193: ok 9867
193: ok 9868
193: ok 9869
193: ok 9870
193: ok 9871
193: ok 9872
193: ok 9873
193: ok 9874
193: ok 9875
193: ok 9876
193: ok 9877
193: ok 9878
193: ok 9879
193: ok 9880
193: ok 9881
193: ok 9882
193: ok 9883
193: ok 9884
193: ok 9885
193: ok 9886
193: ok 9887
193: ok 9888
193: ok 9889
193: ok 9890
193: ok 9891
193: ok 9892
193: ok 9893
193: ok 9894
193: ok 9895
193: ok 9896
193: ok 9897
193: ok 9898
193: ok 9899
193: ok 9900
193: ok 9901
193: ok 9902
193: ok 9903
193: ok 9904
193: ok 9905
193: ok 9906
193: ok 9907
193: ok 9908
193: ok 9909
193: ok 9910
193: ok 9911
193: ok 9912
193: ok 9913
193: ok 9914
193: ok 9915
193: ok 9916
193: ok 9917
193: ok 9918
193: ok 9919
193: ok 9920
193: ok 9921
193: ok 9922
193: ok 9923
193: ok 9924
193: ok 9925
193: ok 9926
193: ok 9927
193: ok 9928
193: ok 9929
193: ok 9930
193: ok 9931
193: ok 9932
193: ok 9933
193: ok 9934
193: ok 9935
193: ok 9936
193: ok 9937
193: ok 9938
193: ok 9939
193: ok 9940
193: ok 9941
193: ok 9942
193: ok 9943
193: ok 9944
193: ok 9945
193: ok 9946
193: ok 9947
193: ok 9948
193: ok 9949
193: ok 9950
193: ok 9951
193: ok 9952
193: ok 9953
193: ok 9954
193: ok 9955
193: ok 9956
193: ok 9957
193: ok 9958
193: ok 9959
193: ok 9960
193: ok 9961
193: ok 9962
193: ok 9963
193: ok 9964
193: ok 9965
193: ok 9966
193: ok 9967
193: ok 9968
193: ok 9969
193: ok 9970
193: ok 9971
193: ok 9972
193: ok 9973
193: ok 9974
193: ok 9975
193: ok 9976
193: ok 9977
193: ok 9978
193: ok 9979
193: ok 9980
193: ok 9981
193: ok 9982
193: ok 9983
193: ok 9984
193: ok 9985
193: ok 9986
193: ok 9987
193: ok 9988
193: ok 9989
193: ok 9990
193: ok 9991
193: ok 9992
193: ok 9993
193: ok 9994
193: ok 9995
193: ok 9996
193: ok 9997
193: ok 9998
193: ok 9999
193: ok 10000
193: ok 10001
193: ok 10002
193: ok 10003
193: ok 10004
193: ok 10005
193: ok 10006
193: ok 10007
193: ok 10008
193: ok 10009
193: ok 10010
193: ok 10011
193: ok 10012
193: ok 10013
193: ok 10014
193: ok 10015
193: ok 10016
193: ok 10017
193: ok 10018
193: ok 10019
193: ok 10020
193: ok 10021
193: ok 10022
193: ok 10023
193: ok 10024
193: ok 10025
193: ok 10026
193: ok 10027
193: ok 10028
193: ok 10029
193: ok 10030
193: ok 10031
193: ok 10032
193: ok 10033
193: ok 10034
193: ok 10035
193: ok 10036
193: ok 10037
193: ok 10038
193: ok 10039
193: ok 10040
193: ok 10041
193: ok 10042
193: ok 10043
193: ok 10044
193: ok 10045
193: ok 10046
193: ok 10047
193: ok 10048
193: ok 10049
193: ok 10050
193: ok 10051
193: ok 10052
193: ok 10053
193: ok 10054
193: ok 10055
193: ok 10056
193: ok 10057
193: ok 10058
193: ok 10059
193: ok 10060
193: ok 10061
193: ok 10062
193: ok 10063
193: ok 10064
193: ok 10065
193: ok 10066
193: ok 10067
193: ok 10068
193: ok 10069
193: ok 10070
193: ok 10071
193: ok 10072
193: ok 10073
193: ok 10074
193: ok 10075
193: ok 10076
193: ok 10077
193: ok 10078
193: ok 10079
193: ok 10080
193: ok 10081
193: ok 10082
193: ok 10083
193: ok 10084
193: ok 10085
193: ok 10086
193: ok 10087
193: ok 10088
193: ok 10089
193: ok 10090
193: ok 10091
193: ok 10092
193: ok 10093
193: ok 10094
193: ok 10095
193: ok 10096
193: ok 10097
193: ok 10098
193: ok 10099
193: ok 10100
193: ok 10101
193: ok 10102
193: ok 10103
193: ok 10104
193: ok 10105
193: ok 10106
193: ok 10107
193: ok 10108
193: ok 10109
193: ok 10110
193: ok 10111
193: ok 10112
193: ok 10113
193: ok 10114
193: ok 10115
193: ok 10116
193: ok 10117
193: ok 10118
193: ok 10119
193: ok 10120
193: ok 10121
193: ok 10122
193: ok 10123
193: ok 10124
193: ok 10125
193: ok 10126
193: ok 10127
193: ok 10128
193: ok 10129
193: ok 10130
193: ok 10131
193: ok 10132
193: ok 10133
193: ok 10134
193: ok 10135
193: ok 10136
193: ok 10137
193: ok 10138
193: ok 10139
193: ok 10140
193: ok 10141
193: ok 10142
193: ok 10143
193: ok 10144
193: ok 10145
193: ok 10146
193: ok 10147
193: ok 10148
193: ok 10149
193: ok 10150
193: ok 10151
193: ok 10152
193: ok 10153
193: ok 10154
193: ok 10155
193: ok 10156
193: ok 10157
193: ok 10158
193: ok 10159
193: ok 10160
193: ok 10161
193: ok 10162
193: ok 10163
193: ok 10164
193: ok 10165
193: ok 10166
193: ok 10167
193: ok 10168
193: ok 10169
193: ok 10170
193: ok 10171
193: ok 10172
193: ok 10173
193: ok 10174
193: ok 10175
193: ok 10176
193: ok 10177
193: ok 10178
193: ok 10179
193: ok 10180
193: ok 10181
193: ok 10182
193: ok 10183
193: ok 10184
193: ok 10185
193: ok 10186
193: ok 10187
193: ok 10188
193: ok 10189
193: ok 10190
193: ok 10191
193: ok 10192
193: ok 10193
193: ok 10194
193: ok 10195
193: ok 10196
193: ok 10197
193: ok 10198
193: ok 10199
193: ok 10200
193: ok 10201
193: ok 10202
193: ok 10203
193: ok 10204
193: ok 10205
193: ok 10206
193: ok 10207
193: ok 10208
193: ok 10209
193: ok 10210
193: ok 10211
193: ok 10212
193: ok 10213
193: ok 10214
193: ok 10215
193: ok 10216
193: ok 10217
193: ok 10218
193: ok 10219
193: ok 10220
193: ok 10221
193: ok 10222
193: ok 10223
193: ok 10224
193: ok 10225
193: ok 10226
193: ok 10227
193: ok 10228
193: ok 10229
193: ok 10230
193: ok 10231
193: ok 10232
193: ok 10233
193: ok 10234
193: ok 10235
193: ok 10236
193: ok 10237
193: ok 10238
193: ok 10239
193: ok 10240
193: ok 10241
193: ok 10242
193: ok 10243
193: ok 10244
193: ok 10245
193: ok 10246
193: ok 10247
193: ok 10248
193: ok 10249
193: ok 10250
193: ok 10251
193: ok 10252
193: ok 10253
193: ok 10254
193: ok 10255
193: ok 10256
193: ok 10257
193: ok 10258
193: ok 10259
193: ok 10260
193: ok 10261
193: ok 10262
193: ok 10263
193: ok 10264
193: ok 10265
193: ok 10266
193: ok 10267
193: ok 10268
193: ok 10269
193: ok 10270
193: ok 10271
193: ok 10272
193: ok 10273
193: ok 10274
193: ok 10275
193: ok 10276
193: ok 10277
193: ok 10278
193: ok 10279
193: ok 10280
193: ok 10281
193: ok 10282
193: ok 10283
193: ok 10284
193: ok 10285
193: ok 10286
193: ok 10287
193: ok 10288
193: ok 10289
193: ok 10290
193: ok 10291
193: ok 10292
193: ok 10293
193: ok 10294
193: ok 10295
193: ok 10296
193: ok 10297
193: ok 10298
193: ok 10299
193: ok 10300
193: ok 10301
193: ok 10302
193: ok 10303
193: ok 10304
193: ok 10305
193: ok 10306
193: ok 10307
193: ok 10308
193: ok 10309
193: ok 10310
193: ok 10311
193: ok 10312
193: ok 10313
193: ok 10314
193: ok 10315
193: ok 10316
193: ok 10317
193: ok 10318
193: ok 10319
193: ok 10320
193: ok 10321
193: ok 10322
193: ok 10323
193: ok 10324
193: ok 10325
193: ok 10326
193: ok 10327
193: ok 10328
193: ok 10329
193: ok 10330
193: ok 10331
193: ok 10332
193: ok 10333
193: ok 10334
193: ok 10335
193: ok 10336
193: ok 10337
193: ok 10338
193: ok 10339
193: ok 10340
193: ok 10341
193: ok 10342
193: ok 10343
193: ok 10344
193: ok 10345
193: ok 10346
193: ok 10347
193: ok 10348
193: ok 10349
193: ok 10350
193: ok 10351
193: ok 10352
193: ok 10353
193: ok 10354
193: ok 10355
193: ok 10356
193: ok 10357
193: ok 10358
193: ok 10359
193: ok 10360
193: ok 10361
193: ok 10362
193: ok 10363
193: ok 10364
193: ok 10365
193: ok 10366
193: ok 10367
193: ok 10368
193: ok 10369
193: ok 10370
193: ok 10371
193: ok 10372
193: ok 10373
193: ok 10374
193: ok 10375
193: ok 10376
193: ok 10377
193: ok 10378
193: ok 10379
193: ok 10380
193: ok 10381
193: ok 10382
193: ok 10383
193: ok 10384
193: ok 10385
193: ok 10386
193: ok 10387
193: ok 10388
193: ok 10389
193: ok 10390
193: ok 10391
193: ok 10392
193: ok 10393
193: ok 10394
193: ok 10395
193: ok 10396
193: ok 10397
193: ok 10398
193: ok 10399
193: ok 10400
193: ok 10401
193: ok 10402
193: ok 10403
193: ok 10404
193: ok 10405
193: ok 10406
193: ok 10407
193: ok 10408
193: ok 10409
193: ok 10410
193: ok 10411
193: ok 10412
193: ok 10413
193: ok 10414
193: ok 10415
193: ok 10416
193: ok 10417
193: ok 10418
193: ok 10419
193: ok 10420
193: ok 10421
193: ok 10422
193: ok 10423
193: ok 10424
193: ok 10425
193: ok 10426
193: ok 10427
193: ok 10428
193: ok 10429
193: ok 10430
193: ok 10431
193: ok 10432
193: ok 10433
193: ok 10434
193: ok 10435
193: ok 10436
193: ok 10437
193: ok 10438
193: ok 10439
193: ok 10440
193: ok 10441
193: ok 10442
193: ok 10443
193: ok 10444
193: ok 10445
193: ok 10446
193: ok 10447
193: ok 10448
193: ok 10449
193: ok 10450
193: ok 10451
193: ok 10452
193: ok 10453
193: ok 10454
193: ok 10455
193: ok 10456
193: ok 10457
193: ok 10458
193: ok 10459
193: ok 10460
193: ok 10461
193: ok 10462
193: ok 10463
193: ok 10464
193: ok 10465
193: ok 10466
193: ok 10467
193: ok 10468
193: ok 10469
193: ok 10470
193: ok 10471
193: ok 10472
193: ok 10473
193: ok 10474
193: ok 10475
193: ok 10476
193: ok 10477
193: ok 10478
193: ok 10479
193: ok 10480
193: ok 10481
193: ok 10482
193: ok 10483
193: ok 10484
193: ok 10485
193: ok 10486
193: ok 10487
193: ok 10488
193: ok 10489
193: ok 10490
193: ok 10491
193: ok 10492
193: ok 10493
193: ok 10494
193: ok 10495
193: ok 10496
193: ok 10497
193: ok 10498
193: ok 10499
193: ok 10500
193: ok 10501
193: ok 10502
193: ok 10503
193: ok 10504
193: ok 10505
193: ok 10506
193: ok 10507
193: ok 10508
193: ok 10509
193: ok 10510
193: ok 10511
193: ok 10512
193: ok 10513
193: ok 10514
193: ok 10515
193: ok 10516
193: ok 10517
193: ok 10518
193: ok 10519
193: ok 10520
193: ok 10521
193: ok 10522
193: ok 10523
193: ok 10524
193: ok 10525
193: ok 10526
193: ok 10527
193: ok 10528
193: ok 10529
193: ok 10530
193: ok 10531
193: ok 10532
193: ok 10533
193: ok 10534
193: ok 10535
193: ok 10536
193: ok 10537
193: ok 10538
193: ok 10539
193: ok 10540
193: ok 10541
193: ok 10542
193: ok 10543
193: ok 10544
193: ok 10545
193: ok 10546
193: ok 10547
193: ok 10548
193: ok 10549
193: ok 10550
193: ok 10551
193: ok 10552
193: ok 10553
193: ok 10554
193: ok 10555
193: ok 10556
193: ok 10557
193: ok 10558
193: ok 10559
193: ok 10560
193: ok 10561
193: ok 10562
193: ok 10563
193: ok 10564
193: ok 10565
193: ok 10566
193: ok 10567
193: ok 10568
193: ok 10569
193: ok 10570
193: ok 10571
193: ok 10572
193: ok 10573
193: ok 10574
193: ok 10575
193: ok 10576
193: ok 10577
193: ok 10578
193: ok 10579
193: ok 10580
193: ok 10581
193: ok 10582
193: ok 10583
193: ok 10584
193: ok 10585
193: ok 10586
193: ok 10587
193: ok 10588
193: ok 10589
193: ok 10590
193: ok 10591
193: ok 10592
193: ok 10593
193: ok 10594
193: ok 10595
193: ok 10596
193: ok 10597
193: ok 10598
193: ok 10599
193: ok 10600
193: ok 10601
193: ok 10602
193: ok 10603
193: ok 10604
193: ok 10605
193: ok 10606
193: ok 10607
193: ok 10608
193: ok 10609
193: ok 10610
193: ok 10611
193: ok 10612
193: ok 10613
193: ok 10614
193: ok 10615
193: ok 10616
193: ok 10617
193: ok 10618
193: ok 10619
193: ok 10620
193: ok 10621
193: ok 10622
193: ok 10623
193: ok 10624
193: ok 10625
193: ok 10626
193: ok 10627
193: ok 10628
193: ok 10629
193: ok 10630
193: ok 10631
193: ok 10632
193: ok 10633
193: ok 10634
193: ok 10635
193: ok 10636
193: ok 10637
193: ok 10638
193: ok 10639
193: ok 10640
193: ok 10641
193: ok 10642
193: ok 10643
193: ok 10644
193: ok 10645
193: ok 10646
193: ok 10647
193: ok 10648
193: ok 10649
193: ok 10650
193: ok 10651
193: ok 10652
193: ok 10653
193: ok 10654
193: ok 10655
193: ok 10656
193: ok 10657
193: ok 10658
193: ok 10659
193: ok 10660
193: ok 10661
193: ok 10662
193: ok 10663
193: ok 10664
193: ok 10665
193: ok 10666
193: ok 10667
193: ok 10668
193: ok 10669
193: ok 10670
193: ok 10671
193: ok 10672
193: ok 10673
193: ok 10674
193: ok 10675
193: ok 10676
193: ok 10677
193: ok 10678
193: ok 10679
193: ok 10680
193: ok 10681
193: ok 10682
193: ok 10683
193: ok 10684
193: ok 10685
193: ok 10686
193: ok 10687
193: ok 10688
193: ok 10689
193: ok 10690
193: ok 10691
193: ok 10692
193: ok 10693
193: ok 10694
193: ok 10695
193: ok 10696
193: ok 10697
193: ok 10698
193: ok 10699
193: ok 10700
193: ok 10701
193: ok 10702
193: ok 10703
193: ok 10704
193: ok 10705
193: ok 10706
193: ok 10707
193: ok 10708
193: ok 10709
193: ok 10710
193: ok 10711
193: ok 10712
193: ok 10713
193: ok 10714
193: ok 10715
193: ok 10716
193: ok 10717
193: ok 10718
193: ok 10719
193: ok 10720
193: ok 10721
193: ok 10722
193: ok 10723
193: ok 10724
193: ok 10725
193: ok 10726
193: ok 10727
193: ok 10728
193: ok 10729
193: ok 10730
193: ok 10731
193: ok 10732
193: ok 10733
193: ok 10734
193: ok 10735
193: ok 10736
193: ok 10737
193: ok 10738
193: ok 10739
193: ok 10740
193: ok 10741
193: ok 10742
193: ok 10743
193: ok 10744
193: ok 10745
193: ok 10746
193: ok 10747
193: ok 10748
193: ok 10749
193: ok 10750
193: ok 10751
193: ok 10752
193: ok 10753
193: ok 10754
193: ok 10755
193: ok 10756
193: ok 10757
193: ok 10758
193: ok 10759
193: ok 10760
193: ok 10761
193: ok 10762
193: ok 10763
193: ok 10764
193: ok 10765
193: ok 10766
193: ok 10767
193: ok 10768
193: ok 10769
193: ok 10770
193: ok 10771
193: ok 10772
193: ok 10773
193: ok 10774
193: ok 10775
193: ok 10776
193: ok 10777
193: ok 10778
193: ok 10779
193: ok 10780
193: ok 10781
193: ok 10782
193: ok 10783
193: ok 10784
193: ok 10785
193: ok 10786
193: ok 10787
193: ok 10788
193: ok 10789
193: ok 10790
193: ok 10791
193: ok 10792
193: ok 10793
193: ok 10794
193: ok 10795
193: ok 10796
193: ok 10797
193: ok 10798
193: ok 10799
193: ok 10800
193: ok 10801
193: ok 10802
193: ok 10803
193: ok 10804
193: ok 10805
193: ok 10806
193: ok 10807
193: ok 10808
193: ok 10809
193: ok 10810
193: ok 10811
193: ok 10812
193: ok 10813
193: ok 10814
193: ok 10815
193: ok 10816
193: ok 10817
193: ok 10818
193: ok 10819
193: ok 10820
193: ok 10821
193: ok 10822
193: ok 10823
193: ok 10824
193: ok 10825
193: ok 10826
193: ok 10827
193: ok 10828
193: ok 10829
193: ok 10830
193: ok 10831
193: ok 10832
193: ok 10833
193: ok 10834
193: ok 10835
193: ok 10836
193: ok 10837
193: ok 10838
193: ok 10839
193: ok 10840
193: ok 10841
193: ok 10842
193: ok 10843
193: ok 10844
193: ok 10845
193: ok 10846
193: ok 10847
193: ok 10848
193: ok 10849
193: ok 10850
193: ok 10851
193: ok 10852
193: ok 10853
193: ok 10854
193: ok 10855
193: ok 10856
193: ok 10857
193: ok 10858
193: ok 10859
193: ok 10860
193: ok 10861
193: ok 10862
193: ok 10863
193: ok 10864
193: ok 10865
193: ok 10866
193: ok 10867
193: ok 10868
193: ok 10869
193: ok 10870
193: ok 10871
193: ok 10872
193: ok 10873
193: ok 10874
193: ok 10875
193: ok 10876
193: ok 10877
193: ok 10878
193: ok 10879
193: ok 10880
193: ok 10881
193: ok 10882
193: ok 10883
193: ok 10884
193: ok 10885
193: ok 10886
193: ok 10887
193: ok 10888
193: ok 10889
193: ok 10890
193: ok 10891
193: ok 10892
193: ok 10893
193: ok 10894
193: ok 10895
193: ok 10896
193: ok 10897
193: ok 10898
193: ok 10899
193: ok 10900
193: ok 10901
193: ok 10902
193: ok 10903
193: ok 10904
193: ok 10905
193: ok 10906
193: ok 10907
193: ok 10908
193: ok 10909
193: ok 10910
193: ok 10911
193: ok 10912
193: ok 10913
193: ok 10914
193: ok 10915
193: ok 10916
193: ok 10917
193: ok 10918
193: ok 10919
193: ok 10920
193: ok 10921
193: ok 10922
193: ok 10923
193: ok 10924
193: ok 10925
193: ok 10926
193: ok 10927
193: ok 10928
193: ok 10929
193: ok 10930
193: ok 10931
193: ok 10932
193: ok 10933
193: ok 10934
193: ok 10935
193: ok 10936
193: ok 10937
193: ok 10938
193: ok 10939
193: ok 10940
193: ok 10941
193: ok 10942
193: ok 10943
193: ok 10944
193: ok 10945
193: ok 10946
193: ok 10947
193: ok 10948
193: ok 10949
193: ok 10950
193: ok 10951
193: ok 10952
193: ok 10953
193: ok 10954
193: ok 10955
193: ok 10956
193: ok 10957
193: ok 10958
193: ok 10959
193: ok 10960
193: ok 10961
193: ok 10962
193: ok 10963
193: ok 10964
193: ok 10965
193: ok 10966
193: ok 10967
193: ok 10968
193: ok 10969
193: ok 10970
193: ok 10971
193: ok 10972
193: ok 10973
193: ok 10974
193: ok 10975
193: ok 10976
193: ok 10977
193: ok 10978
193: ok 10979
193: ok 10980
193: ok 10981
193: ok 10982
193: ok 10983
193: ok 10984
193: ok 10985
193: ok 10986
193: ok 10987
193: ok 10988
193: ok 10989
193: ok 10990
193: ok 10991
193: ok 10992
193: ok 10993
193: ok 10994
193: ok 10995
193: ok 10996
193: ok 10997
193: ok 10998
193: ok 10999
193: ok 11000
193: ok 11001
193: ok 11002
193: ok 11003
193: ok 11004
193: ok 11005
193: ok 11006
193: ok 11007
193: ok 11008
193: ok 11009
193: ok 11010
193: ok 11011
193: ok 11012
193: ok 11013
193: ok 11014
193: ok 11015
193: ok 11016
193: ok 11017
193: ok 11018
193: ok 11019
193: ok 11020
193: ok 11021
193: ok 11022
193: ok 11023
193: ok 11024
193: ok 11025
193: ok 11026
193: ok 11027
193: ok 11028
193: ok 11029
193: ok 11030
193: ok 11031
193: ok 11032
193: ok 11033
193: ok 11034
193: ok 11035
193: ok 11036
193: ok 11037
193: ok 11038
193: ok 11039
193: ok 11040
193: ok 11041
193: ok 11042
193: ok 11043
193: ok 11044
193: ok 11045
193: ok 11046
193: ok 11047
193: ok 11048
193: ok 11049
193: ok 11050
193: ok 11051
193: ok 11052
193: ok 11053
193: ok 11054
193: ok 11055
193: ok 11056
193: ok 11057
193: ok 11058
193: ok 11059
193: ok 11060
193: ok 11061
193: ok 11062
193: ok 11063
193: ok 11064
193: ok 11065
193: ok 11066
193: ok 11067
193: ok 11068
193: ok 11069
193: ok 11070
193: ok 11071
193: ok 11072
193: ok 11073
193: ok 11074
193: ok 11075
193: ok 11076
193: ok 11077
193: ok 11078
193: ok 11079
193: ok 11080
193: ok 11081
193: ok 11082
193: ok 11083
193: ok 11084
193: ok 11085
193: ok 11086
193: ok 11087
193: ok 11088
193: ok 11089
193: ok 11090
193: ok 11091
193: ok 11092
193: ok 11093
193: ok 11094
193: ok 11095
193: ok 11096
193: ok 11097
193: ok 11098
193: ok 11099
193: ok 11100
193: ok 11101
193: ok 11102
193: ok 11103
193: ok 11104
193: ok 11105
193: ok 11106
193: ok 11107
193: ok 11108
193: ok 11109
193: ok 11110
193: ok 11111
193: ok 11112
193: ok 11113
193: ok 11114
193: ok 11115
193: ok 11116
193: ok 11117
193: ok 11118
193: ok 11119
193: ok 11120
193: ok 11121
193: ok 11122
193: ok 11123
193: ok 11124
193: ok 11125
193: ok 11126
193: ok 11127
193: ok 11128
193: ok 11129
193: ok 11130
193: ok 11131
193: ok 11132
193: ok 11133
193: ok 11134
193: ok 11135
193: ok 11136
193: ok 11137
193: ok 11138
193: ok 11139
193: ok 11140
193: ok 11141
193: ok 11142
193: ok 11143
193: ok 11144
193: ok 11145
193: ok 11146
193: ok 11147
193: ok 11148
193: ok 11149
193: ok 11150
193: ok 11151
193: ok 11152
193: ok 11153
193: ok 11154
193: ok 11155
193: ok 11156
193: ok 11157
193: ok 11158
193: ok 11159
193: ok 11160
193: ok 11161
193: ok 11162
193: ok 11163
193: ok 11164
193: ok 11165
193: ok 11166
193: ok 11167
193: ok 11168
193: ok 11169
193: ok 11170
193: ok 11171
193: ok 11172
193: ok 11173
193: ok 11174
193: ok 11175
193: ok 11176
193: ok 11177
193: ok 11178
193: ok 11179
193: ok 11180
193: ok 11181
193: ok 11182
193: ok 11183
193: ok 11184
193: ok 11185
193: ok 11186
193: ok 11187
193: ok 11188
193: ok 11189
193: ok 11190
193: ok 11191
193: ok 11192
193: ok 11193
193: ok 11194
193: ok 11195
193: ok 11196
193: ok 11197
193: ok 11198
193: ok 11199
193: ok 11200
193: ok 11201
193: ok 11202
193: ok 11203
193: ok 11204
193: ok 11205
193: ok 11206
193: ok 11207
193: ok 11208
193: ok 11209
193: ok 11210
193: ok 11211
193: ok 11212
193: ok 11213
193: ok 11214
193: ok 11215
193: ok 11216
193: ok 11217
193: ok 11218
193: ok 11219
193: ok 11220
193: ok 11221
193: ok 11222
193: ok 11223
193: ok 11224
193: ok 11225
193: ok 11226
193: ok 11227
193: ok 11228
193: ok 11229
193: ok 11230
193: ok 11231
193: ok 11232
193: ok 11233
193: ok 11234
193: ok 11235
193: ok 11236
193: ok 11237
193: ok 11238
193: ok 11239
193: ok 11240
193: ok 11241
193: ok 11242
193: ok 11243
193: ok 11244
193: ok 11245
193: ok 11246
193: ok 11247
193: ok 11248
193: ok 11249
193: ok 11250
193: ok 11251
193: ok 11252
193: ok 11253
193: ok 11254
193: ok 11255
193: ok 11256
193: ok 11257
193: ok 11258
193: ok 11259
193: ok 11260
193: ok 11261
193: ok 11262
193: ok 11263
193: ok 11264
193: ok 11265
193: ok 11266
193: ok 11267
193: ok 11268
193: ok 11269
193: ok 11270
193: ok 11271
193: ok 11272
193: ok 11273
193: ok 11274
193: ok 11275
193: ok 11276
193: ok 11277
193: ok 11278
193: ok 11279
193: ok 11280
193: ok 11281
193: ok 11282
193: ok 11283
193: ok 11284
193: ok 11285
193: ok 11286
193: ok 11287
193: ok 11288
193: ok 11289
193: ok 11290
193: ok 11291
193: ok 11292
193: ok 11293
193: ok 11294
193: ok 11295
193: ok 11296
193: ok 11297
193: ok 11298
193: ok 11299
193: ok 11300
193: ok 11301
193: ok 11302
193: ok 11303
193: ok 11304
193: ok 11305
193: ok 11306
193: ok 11307
193: ok 11308
193: ok 11309
193: ok 11310
193: ok 11311
193: ok 11312
193: ok 11313
193: ok 11314
193: ok 11315
193: ok 11316
193: ok 11317
193: ok 11318
193: ok 11319
193: ok 11320
193: ok 11321
193: ok 11322
193: ok 11323
193: ok 11324
193: ok 11325
193: ok 11326
193: ok 11327
193: ok 11328
193: ok 11329
193: ok 11330
193: ok 11331
193: ok 11332
193: ok 11333
193: ok 11334
193: ok 11335
193: ok 11336
193: ok 11337
193: ok 11338
193: ok 11339
193: ok 11340
193: ok 11341
193: ok 11342
193: ok 11343
193: ok 11344
193: ok 11345
193: ok 11346
193: ok 11347
193: ok 11348
193: ok 11349
193: ok 11350
193: ok 11351
193: ok 11352
193: ok 11353
193: ok 11354
193: ok 11355
193: ok 11356
193: ok 11357
193: ok 11358
193: ok 11359
193: ok 11360
193: ok 11361
193: ok 11362
193: ok 11363
193: ok 11364
193: ok 11365
193: ok 11366
193: ok 11367
193: ok 11368
193: ok 11369
193: ok 11370
193: ok 11371
193: ok 11372
193: ok 11373
193: ok 11374
193: ok 11375
193: ok 11376
193: ok 11377
193: ok 11378
193: ok 11379
193: ok 11380
193: ok 11381
193: ok 11382
193: ok 11383
193: ok 11384
193: ok 11385
193: ok 11386
193: ok 11387
193: ok 11388
193: ok 11389
193: ok 11390
193: ok 11391
193: ok 11392
193: ok 11393
193: ok 11394
193: ok 11395
193: ok 11396
193: ok 11397
193: ok 11398
193: ok 11399
193: ok 11400
193: ok 11401
193: ok 11402
193: ok 11403
193: ok 11404
193: ok 11405
193: ok 11406
193: ok 11407
193: ok 11408
193: ok 11409
193: ok 11410
193: ok 11411
193: ok 11412
193: ok 11413
193: ok 11414
193: ok 11415
193: ok 11416
193: ok 11417
193: ok 11418
193: ok 11419
193: ok 11420
193: ok 11421
193: ok 11422
193: ok 11423
193: ok 11424
193: ok 11425
193: ok 11426
193: ok 11427
193: ok 11428
193: ok 11429
193: ok 11430
193: ok 11431
193: ok 11432
193: ok 11433
193: ok 11434
193: ok 11435
193: ok 11436
193: ok 11437
193: ok 11438
193: ok 11439
193: ok 11440
193: ok 11441
193: ok 11442
193: ok 11443
193: ok 11444
193: ok 11445
193: ok 11446
193: ok 11447
193: ok 11448
193: ok 11449
193: ok 11450
193: ok 11451
193: ok 11452
193: ok 11453
193: ok 11454
193: ok 11455
193: ok 11456
193: ok 11457
193: ok 11458
193: ok 11459
193: ok 11460
193: ok 11461
193: ok 11462
193: ok 11463
193: ok 11464
193: ok 11465
193: ok 11466
193: ok 11467
193: ok 11468
193: ok 11469
193: ok 11470
193: ok 11471
193: ok 11472
193: ok 11473
193: ok 11474
193: ok 11475
193: ok 11476
193: ok 11477
193: ok 11478
193: ok 11479
193: ok 11480
193: ok 11481
193: ok 11482
193: ok 11483
193: ok 11484
193: ok 11485
193: ok 11486
193: ok 11487
193: ok 11488
193: ok 11489
193: ok 11490
193: ok 11491
193: ok 11492
193: ok 11493
193: ok 11494
193: ok 11495
193: ok 11496
193: ok 11497
193: ok 11498
193: ok 11499
193: ok 11500
193: ok 11501
193: ok 11502
193: ok 11503
193: ok 11504
193: ok 11505
193: ok 11506
193: ok 11507
193: ok 11508
193: ok 11509
193: ok 11510
193: ok 11511
193: ok 11512
193: ok 11513
193: ok 11514
193: ok 11515
193: ok 11516
193: ok 11517
193: ok 11518
193: ok 11519
193: ok 11520
193: ok 11521
193: ok 11522
193: ok 11523
193: ok 11524
193: ok 11525
193: ok 11526
193: ok 11527
193: ok 11528
193: ok 11529
193: ok 11530
193: ok 11531
193: ok 11532
193: ok 11533
193: ok 11534
193: ok 11535
193: ok 11536
193: ok 11537
193: ok 11538
193: ok 11539
193: ok 11540
193: ok 11541
193: ok 11542
193: ok 11543
193: ok 11544
193: ok 11545
193: ok 11546
193: ok 11547
193: ok 11548
193: ok 11549
193: ok 11550
193: ok 11551
193: ok 11552
193: ok 11553
193: ok 11554
193: ok 11555
193: ok 11556
193: ok 11557
193: ok 11558
193: ok 11559
193: ok 11560
193: ok 11561
193: ok 11562
193: ok 11563
193: ok 11564
193: ok 11565
193: ok 11566
193: ok 11567
193: ok 11568
193: ok 11569
193: ok 11570
193: ok 11571
193: ok 11572
193: ok 11573
193: ok 11574
193: ok 11575
193: ok 11576
193: ok 11577
193: ok 11578
193: ok 11579
193: ok 11580
193: ok 11581
193: ok 11582
193: ok 11583
193: ok 11584
193: ok 11585
193: ok 11586
193: ok 11587
193: ok 11588
193: ok 11589
193: ok 11590
193: ok 11591
193: ok 11592
193: ok 11593
193: ok 11594
193: ok 11595
193: ok 11596
193: ok 11597
193: ok 11598
193: ok 11599
193: ok 11600
193: ok 11601
193: ok 11602
193: ok 11603
193: ok 11604
193: ok 11605
193: ok 11606
193: ok 11607
193: ok 11608
193: ok 11609
193: ok 11610
193: ok 11611
193: ok 11612
193: ok 11613
193: ok 11614
193: ok 11615
193: ok 11616
193: ok 11617
193: ok 11618
193: ok 11619
193: ok 11620
193: ok 11621
193: ok 11622
193: ok 11623
193: ok 11624
193: ok 11625
193: ok 11626
193: ok 11627
193: ok 11628
193: ok 11629
193: ok 11630
193: ok 11631
193: ok 11632
193: ok 11633
193: ok 11634
193: ok 11635
193: ok 11636
193: ok 11637
193: ok 11638
193: ok 11639
193: ok 11640
193: ok 11641
193: ok 11642
193: ok 11643
193: ok 11644
193: ok 11645
193: ok 11646
193: ok 11647
193: ok 11648
193: ok 11649
193: ok 11650
193: ok 11651
193: ok 11652
193: ok 11653
193: ok 11654
193: ok 11655
193: ok 11656
193: ok 11657
193: ok 11658
193: ok 11659
193: ok 11660
193: ok 11661
193: ok 11662
193: ok 11663
193: ok 11664
193: ok 11665
193: ok 11666
193: ok 11667
193: ok 11668
193: ok 11669
193: ok 11670
193: ok 11671
193: ok 11672
193: ok 11673
193: ok 11674
193: ok 11675
193: ok 11676
193: ok 11677
193: ok 11678
193: ok 11679
193: ok 11680
193: ok 11681
193: ok 11682
193: ok 11683
193: ok 11684
193: ok 11685
193: ok 11686
193: ok 11687
193: ok 11688
193: ok 11689
193: ok 11690
193: ok 11691
193: ok 11692
193: ok 11693
193: ok 11694
193: ok 11695
193: ok 11696
193: ok 11697
193: ok 11698
193: ok 11699
193: ok 11700
193: ok 11701
193: ok 11702
193: ok 11703
193: ok 11704
193: ok 11705
193: ok 11706
193: ok 11707
193: ok 11708
193: ok 11709
193: ok 11710
193: ok 11711
193: ok 11712
193: ok 11713
193: ok 11714
193: ok 11715
193: ok 11716
193: ok 11717
193: ok 11718
193: ok 11719
193: ok 11720
193: ok 11721
193: ok 11722
193: ok 11723
193: ok 11724
193: ok 11725
193: ok 11726
193: ok 11727
193: ok 11728
193: ok 11729
193: ok 11730
193: ok 11731
193: ok 11732
193: ok 11733
193: ok 11734
193: ok 11735
193: ok 11736
193: ok 11737
193: ok 11738
193: ok 11739
193: ok 11740
193: ok 11741
193: ok 11742
193: ok 11743
193: ok 11744
193: ok 11745
193: ok 11746
193: ok 11747
193: ok 11748
193: ok 11749
193: ok 11750
193: ok 11751
193: ok 11752
193: ok 11753
193: ok 11754
193: ok 11755
193: ok 11756
193: ok 11757
193: ok 11758
193: ok 11759
193: ok 11760
193: ok 11761
193: ok 11762
193: ok 11763
193: ok 11764
193: ok 11765
193: ok 11766
193: ok 11767
193: ok 11768
193: ok 11769
193: ok 11770
193: ok 11771
193: ok 11772
193: ok 11773
193: ok 11774
193: ok 11775
193: ok 11776
193: ok 11777
193: ok 11778
193: ok 11779
193: ok 11780
193: ok 11781
193: ok 11782
193: ok 11783
193: ok 11784
193: ok 11785
193: ok 11786
193: ok 11787
193: ok 11788
193: ok 11789
193: ok 11790
193: ok 11791
193: ok 11792
193: ok 11793
193: ok 11794
193: ok 11795
193: ok 11796
193: ok 11797
193: ok 11798
193: ok 11799
193: ok 11800
193: ok 11801
193: ok 11802
193: ok 11803
193: ok 11804
193: ok 11805
193: ok 11806
193: ok 11807
193: ok 11808
193: ok 11809
193: ok 11810
193: ok 11811
193: ok 11812
193: ok 11813
193: ok 11814
193: ok 11815
193: ok 11816
193: ok 11817
193: ok 11818
193: ok 11819
193: ok 11820
193: ok 11821
193: ok 11822
193: ok 11823
193: ok 11824
193: ok 11825
193: ok 11826
193: ok 11827
193: ok 11828
193: ok 11829
193: ok 11830
193: ok 11831
193: ok 11832
193: ok 11833
193: ok 11834
193: ok 11835
193: ok 11836
193: ok 11837
193: ok 11838
193: ok 11839
193: ok 11840
193: ok 11841
193: ok 11842
193: ok 11843
193: ok 11844
193: ok 11845
193: ok 11846
193: ok 11847
193: ok 11848
193: ok 11849
193: ok 11850
193: ok 11851
193: ok 11852
193: ok 11853
193: ok 11854
193: ok 11855
193: ok 11856
193: ok 11857
193: ok 11858
193: ok 11859
193: ok 11860
193: ok 11861
193: ok 11862
193: ok 11863
193: ok 11864
193: ok 11865
193: ok 11866
193: ok 11867
193: ok 11868
193: ok 11869
193: ok 11870
193: ok 11871
193: ok 11872
193: ok 11873
193: ok 11874
193: ok 11875
193: ok 11876
193: ok 11877
193: ok 11878
193: ok 11879
193: ok 11880
193: ok 11881
193: ok 11882
193: ok 11883
193: ok 11884
193: ok 11885
193: ok 11886
193: ok 11887
193: ok 11888
193: ok 11889
193: ok 11890
193: ok 11891
193: ok 11892
193: ok 11893
193: ok 11894
193: ok 11895
193: ok 11896
193: ok 11897
193: ok 11898
193: ok 11899
193: ok 11900
193: ok 11901
193: ok 11902
193: ok 11903
193: ok 11904
193: ok 11905
193: ok 11906
193: ok 11907
193: ok 11908
193: ok 11909
193: ok 11910
193: ok 11911
193: ok 11912
193: ok 11913
193: ok 11914
193: ok 11915
193: ok 11916
193: ok 11917
193: ok 11918
193: ok 11919
193: ok 11920
193: ok 11921
193: ok 11922
193: ok 11923
193: ok 11924
193: ok 11925
193: ok 11926
193: ok 11927
193: ok 11928
193: ok 11929
193: ok 11930
193: ok 11931
193: ok 11932
193: ok 11933
193: ok 11934
193: ok 11935
193: ok 11936
193: ok 11937
193: ok 11938
193: ok 11939
193: ok 11940
193: ok 11941
193: ok 11942
193: ok 11943
193: ok 11944
193: ok 11945
193: ok 11946
193: ok 11947
193: ok 11948
193: ok 11949
193: ok 11950
193: ok 11951
193: ok 11952
193: ok 11953
193: ok 11954
193: ok 11955
193: ok 11956
193: ok 11957
193: ok 11958
193: ok 11959
193: ok 11960
193: ok 11961
193: ok 11962
193: ok 11963
193: ok 11964
193: ok 11965
193: ok 11966
193: ok 11967
193: ok 11968
193: ok 11969
193: ok 11970
193: ok 11971
193: ok 11972
193: ok 11973
193: ok 11974
193: ok 11975
193: ok 11976
193: ok 11977
193: ok 11978
193: ok 11979
193: ok 11980
193: ok 11981
193: ok 11982
193: ok 11983
193: ok 11984
193: ok 11985
193: ok 11986
193: ok 11987
193: ok 11988
193: ok 11989
193: ok 11990
193: ok 11991
193: ok 11992
193: ok 11993
193: ok 11994
193: ok 11995
193: ok 11996
193: ok 11997
193: ok 11998
193: ok 11999
193: ok 12000
193: ok 12001
193: ok 12002
193: ok 12003
193: ok 12004
193: ok 12005
193: ok 12006
193: ok 12007
193: ok 12008
193: ok 12009
193: ok 12010
193: ok 12011
193: ok 12012
193: ok 12013
193: ok 12014
193: ok 12015
193: ok 12016
193: ok 12017
193: ok 12018
193: ok 12019
193: ok 12020
193: ok 12021
193: ok 12022
193: ok 12023
193: ok 12024
193: ok 12025
193: ok 12026
193: ok 12027
193: ok 12028
193: ok 12029
193: ok 12030
193: ok 12031
193: ok 12032
193: ok 12033
193: ok 12034
193: ok 12035
193: ok 12036
193: ok 12037
193: ok 12038
193: ok 12039
193: ok 12040
193: ok 12041
193: ok 12042
193: ok 12043
193: ok 12044
193: ok 12045
193: ok 12046
193: ok 12047
193: ok 12048
193: ok 12049
193: ok 12050
193: ok 12051
193: ok 12052
193: ok 12053
193: ok 12054
193: ok 12055
193: ok 12056
193: ok 12057
193: ok 12058
193: ok 12059
193: ok 12060
193: ok 12061
193: ok 12062
193: ok 12063
193: ok 12064
193: ok 12065
193: ok 12066
193: ok 12067
193: ok 12068
193: ok 12069
193: ok 12070
193: ok 12071
193: ok 12072
193: ok 12073
193: ok 12074
193: ok 12075
193: ok 12076
193: ok 12077
193: ok 12078
193: ok 12079
193: ok 12080
193: ok 12081
193: ok 12082
193: ok 12083
193: ok 12084
193: ok 12085
193: ok 12086
193: ok 12087
193: ok 12088
193: ok 12089
193: ok 12090
193: ok 12091
193: ok 12092
193: ok 12093
193: ok 12094
193: ok 12095
193: ok 12096
193: ok 12097
193: ok 12098
193: ok 12099
193: ok 12100
193: ok 12101
193: ok 12102
193: ok 12103
193: ok 12104
193: ok 12105
193: ok 12106
193: ok 12107
193: ok 12108
193: ok 12109
193: ok 12110
193: ok 12111
193: ok 12112
193: ok 12113
193: ok 12114
193: ok 12115
193: ok 12116
193: ok 12117
193: ok 12118
193: ok 12119
193: ok 12120
193: ok 12121
193: ok 12122
193: ok 12123
193: ok 12124
193: ok 12125
193: ok 12126
193: ok 12127
193: ok 12128
193: ok 12129
193: ok 12130
193: ok 12131
193: ok 12132
193: ok 12133
193: ok 12134
193: ok 12135
193: ok 12136
193: ok 12137
193: ok 12138
193: ok 12139
193: ok 12140
193: ok 12141
193: ok 12142
193: ok 12143
193: ok 12144
193: ok 12145
193: ok 12146
193: ok 12147
193: ok 12148
193: ok 12149
193: ok 12150
193: ok 12151
193: ok 12152
193: ok 12153
193: ok 12154
193: ok 12155
193: ok 12156
193: ok 12157
193: ok 12158
193: ok 12159
193: ok 12160
193: ok 12161
193: ok 12162
193: ok 12163
193: ok 12164
193: ok 12165
193: ok 12166
193: ok 12167
193: ok 12168
193: ok 12169
193: ok 12170
193: ok 12171
193: ok 12172
193: ok 12173
193: ok 12174
193: ok 12175
193: ok 12176
193: ok 12177
193: ok 12178
193: ok 12179
193: ok 12180
193: ok 12181
193: ok 12182
193: ok 12183
193: ok 12184
193: ok 12185
193: ok 12186
193: ok 12187
193: ok 12188
193: ok 12189
193: ok 12190
193: ok 12191
193: ok 12192
193: ok 12193
193: ok 12194
193: ok 12195
193: ok 12196
193: ok 12197
193: ok 12198
193: ok 12199
193: ok 12200
193: ok 12201
193: ok 12202
193: ok 12203
193: ok 12204
193: ok 12205
193: ok 12206
193: ok 12207
193: ok 12208
193: ok 12209
193: ok 12210
193: ok 12211
193: ok 12212
193: ok 12213
193: ok 12214
193: ok 12215
193: ok 12216
193: ok 12217
193: ok 12218
193: ok 12219
193: ok 12220
193: ok 12221
193: ok 12222
193: ok 12223
193: ok 12224
193: ok 12225
193: ok 12226
193: ok 12227
193: ok 12228
193: ok 12229
193: ok 12230
193: ok 12231
193: ok 12232
193: ok 12233
193: ok 12234
193: ok 12235
193: ok 12236
193: ok 12237
193: ok 12238
193: ok 12239
193: ok 12240
193: ok 12241
193: ok 12242
193: ok 12243
193: ok 12244
193: ok 12245
193: ok 12246
193: ok 12247
193: ok 12248
193: ok 12249
193: ok 12250
193: ok 12251
193: ok 12252
193: ok 12253
193: ok 12254
193: ok 12255
193: ok 12256
193: ok 12257
193: ok 12258
193: ok 12259
193: ok 12260
193: ok 12261
193: ok 12262
193: ok 12263
193: ok 12264
193: ok 12265
193: ok 12266
193: ok 12267
193: ok 12268
193: ok 12269
193: ok 12270
193: ok 12271
193: ok 12272
193: ok 12273
193: ok 12274
193: ok 12275
193: ok 12276
193: ok 12277
193: ok 12278
193: ok 12279
193: ok 12280
193: ok 12281
193: ok 12282
193: ok 12283
193: ok 12284
193: ok 12285
193: ok 12286
193: ok 12287
193: ok 12288
193: ok 12289
193: ok 12290
193: ok 12291
193: ok 12292
193: ok 12293
193: ok 12294
193: ok 12295
193: ok 12296
193: ok 12297
193: ok 12298
193: ok 12299
193: ok 12300
193: ok 12301
193: ok 12302
193: ok 12303
193: ok 12304
193: ok 12305
193: ok 12306
193: ok 12307
193: ok 12308
193: ok 12309
193: ok 12310
193: ok 12311
193: ok 12312
193: ok 12313
193: ok 12314
193: ok 12315
193: ok 12316
193: ok 12317
193: ok 12318
193: ok 12319
193: ok 12320
193: ok 12321
193: ok 12322
193: ok 12323
193: ok 12324
193: ok 12325
193: ok 12326
193: ok 12327
193: ok 12328
193: ok 12329
193: ok 12330
193: ok 12331
193: ok 12332
193: ok 12333
193: ok 12334
193: ok 12335
193: ok 12336
193: ok 12337
193: ok 12338
193: ok 12339
193: ok 12340
193: ok 12341
193: ok 12342
193: ok 12343
193: ok 12344
193: ok 12345
193: ok 12346
193: ok 12347
193: ok 12348
193: ok 12349
193: ok 12350
193: ok 12351
193: ok 12352
193: ok 12353
193: ok 12354
193: ok 12355
193: ok 12356
193: ok 12357
193: ok 12358
193: ok 12359
193: ok 12360
193: ok 12361
193: ok 12362
193: ok 12363
193: ok 12364
193: ok 12365
193: ok 12366
193: ok 12367
193: ok 12368
193: ok 12369
193: ok 12370
193: ok 12371
193: ok 12372
193: ok 12373
193: ok 12374
193: ok 12375
193: ok 12376
193: ok 12377
193: ok 12378
193: ok 12379
193: ok 12380
193: ok 12381
193: ok 12382
193: ok 12383
193: ok 12384
193: ok 12385
193: ok 12386
193: ok 12387
193: ok 12388
193: ok 12389
193: ok 12390
193: ok 12391
193: ok 12392
193: ok 12393
193: ok 12394
193: ok 12395
193: ok 12396
193: ok 12397
193: ok 12398
193: ok 12399
193: ok 12400
193: ok 12401
193: ok 12402
193: ok 12403
193: ok 12404
193: ok 12405
193: ok 12406
193: ok 12407
193: ok 12408
193: ok 12409
193: ok 12410
193: ok 12411
193: ok 12412
193: ok 12413
193: ok 12414
193: ok 12415
193: ok 12416
193: ok 12417
193: ok 12418
193: ok 12419
193: ok 12420
193: ok 12421
193: ok 12422
193: ok 12423
193: ok 12424
193: ok 12425
193: ok 12426
193: ok 12427
193: ok 12428
193: ok 12429
193: ok 12430
193: ok 12431
193: ok 12432
193: ok 12433
193: ok 12434
193: ok 12435
193: ok 12436
193: ok 12437
193: ok 12438
193: ok 12439
193: ok 12440
193: ok 12441
193: ok 12442
193: ok 12443
193: ok 12444
193: ok 12445
193: ok 12446
193: ok 12447
193: ok 12448
193: ok 12449
193: ok 12450
193: ok 12451
193: ok 12452
193: ok 12453
193: ok 12454
193: ok 12455
193: ok 12456
193: ok 12457
193: ok 12458
193: ok 12459
193: ok 12460
193: ok 12461
193: ok 12462
193: ok 12463
193: ok 12464
193: ok 12465
193: ok 12466
193: ok 12467
193: ok 12468
193: ok 12469
193: ok 12470
193: ok 12471
193: ok 12472
193: ok 12473
193: ok 12474
193: ok 12475
193: ok 12476
193: ok 12477
193: ok 12478
193: ok 12479
193: ok 12480
193: ok 12481
193: ok 12482
193: ok 12483
193: ok 12484
193: ok 12485
193: ok 12486
193: ok 12487
193: ok 12488
193: ok 12489
193: ok 12490
193: ok 12491
193: ok 12492
193: ok 12493
193: ok 12494
193: ok 12495
193: ok 12496
193: ok 12497
193: ok 12498
193: ok 12499
193: ok 12500
193: ok 12501
193: ok 12502
193: ok 12503
193: ok 12504
193: ok 12505
193: ok 12506
193: ok 12507
193: ok 12508
193: ok 12509
193: ok 12510
193: ok 12511
193: ok 12512
193: ok 12513
193: ok 12514
193: ok 12515
193: ok 12516
193: ok 12517
193: ok 12518
193: ok 12519
193: ok 12520
193: ok 12521
193: ok 12522
193: ok 12523
193: ok 12524
193: ok 12525
193: ok 12526
193: ok 12527
193: ok 12528
193: ok 12529
193: ok 12530
193: ok 12531
193: ok 12532
193: ok 12533
193: ok 12534
193: ok 12535
193: ok 12536
193: ok 12537
193: ok 12538
193: ok 12539
193: ok 12540
193: ok 12541
193: ok 12542
193: ok 12543
193: ok 12544
193: ok 12545
193: ok 12546
193: ok 12547
193: ok 12548
193: ok 12549
193: ok 12550
193: ok 12551
193: ok 12552
193: ok 12553
193: ok 12554
193: ok 12555
193: ok 12556
193: ok 12557
193: ok 12558
193: ok 12559
193: ok 12560
193: ok 12561
193: ok 12562
193: ok 12563
193: ok 12564
193: ok 12565
193: ok 12566
193: ok 12567
193: ok 12568
193: ok 12569
193: ok 12570
193: ok 12571
193: ok 12572
193: ok 12573
193: ok 12574
193: ok 12575
193: ok 12576
193: ok 12577
193: ok 12578
193: ok 12579
193: ok 12580
193: ok 12581
193: ok 12582
193: ok 12583
193: ok 12584
193: ok 12585
193: ok 12586
193: ok 12587
193: ok 12588
193: ok 12589
193: ok 12590
193: ok 12591
193: ok 12592
193: ok 12593
193: ok 12594
193: ok 12595
193: ok 12596
193: ok 12597
193: ok 12598
193: ok 12599
193: ok 12600
193: ok 12601
193: ok 12602
193: ok 12603
193: ok 12604
193: ok 12605
193: ok 12606
193: ok 12607
193: ok 12608
193: ok 12609
193: ok 12610
193: ok 12611
193: ok 12612
193: ok 12613
193: ok 12614
193: ok 12615
193: ok 12616
193: ok 12617
193: ok 12618
193: ok 12619
193: ok 12620
193: ok 12621
193: ok 12622
193: ok 12623
193: ok 12624
193: ok 12625
193: ok 12626
193: ok 12627
193: ok 12628
193: ok 12629
193: ok 12630
193: ok 12631
193: ok 12632
193: ok 12633
193: ok 12634
193: ok 12635
193: ok 12636
193: ok 12637
193: ok 12638
193: ok 12639
193: ok 12640
193: ok 12641
193: ok 12642
193: ok 12643
193: ok 12644
193: ok 12645
193: ok 12646
193: ok 12647
193: ok 12648
193: ok 12649
193: ok 12650
193: ok 12651
193: ok 12652
193: ok 12653
193: ok 12654
193: ok 12655
193: ok 12656
193: ok 12657
193: ok 12658
193: ok 12659
193: ok 12660
193: ok 12661
193: ok 12662
193: ok 12663
193: ok 12664
193: ok 12665
193: ok 12666
193: ok 12667
193: ok 12668
193: ok 12669
193: ok 12670
193: ok 12671
193: ok 12672
193: ok 12673
193: ok 12674
193: ok 12675
193: ok 12676
193: ok 12677
193: ok 12678
193: ok 12679
193: ok 12680
193: ok 12681
193: ok 12682
193: ok 12683
193: ok 12684
193: ok 12685
193: ok 12686
193: ok 12687
193: ok 12688
193: ok 12689
193: ok 12690
193: ok 12691
193: ok 12692
193: ok 12693
193: ok 12694
193: ok 12695
193: ok 12696
193: ok 12697
193: ok 12698
193: ok 12699
193: ok 12700
193: ok 12701
193: ok 12702
193: ok 12703
193: ok 12704
193: ok 12705
193: ok 12706
193: ok 12707
193: ok 12708
193: ok 12709
193: ok 12710
193: ok 12711
193: ok 12712
193: ok 12713
193: ok 12714
193: ok 12715
193: ok 12716
193: ok 12717
193: ok 12718
193: ok 12719
193: ok 12720
193: ok 12721
193: ok 12722
193: ok 12723
193: ok 12724
193: ok 12725
193: ok 12726
193: ok 12727
193: ok 12728
193: ok 12729
193: ok 12730
193: ok 12731
193: ok 12732
193: ok 12733
193: ok 12734
193: ok 12735
193: ok 12736
193: ok 12737
193: ok 12738
193: ok 12739
193: ok 12740
193: ok 12741
193: ok 12742
193: ok 12743
193: ok 12744
193: ok 12745
193: ok 12746
193: ok 12747
193: ok 12748
193: ok 12749
193: ok 12750
193: ok 12751
193: ok 12752
193: ok 12753
193: ok 12754
193: ok 12755
193: ok 12756
193: ok 12757
193: ok 12758
193: ok 12759
193: ok 12760
193: ok 12761
193: ok 12762
193: ok 12763
193: ok 12764
193: ok 12765
193: ok 12766
193: ok 12767
193: ok 12768
193: ok 12769
193: ok 12770
193: ok 12771
193: ok 12772
193: ok 12773
193: ok 12774
193: ok 12775
193: ok 12776
193: ok 12777
193: ok 12778
193: ok 12779
193: ok 12780
193: ok 12781
193: ok 12782
193: ok 12783
193: ok 12784
193: ok 12785
193: ok 12786
193: ok 12787
193: ok 12788
193: ok 12789
193: ok 12790
193: ok 12791
193: ok 12792
193: ok 12793
193: ok 12794
194: # Unit tests for OBMol 
194: ok 1
194: ok 2
194: ok 3
194: ok 4
194: ok 5
194: ok 6
194: ok 7
194: ok 8
194: ok 9
194: ok 10
194: ok 11
194: ok 12
194: ok 13
194: ==============================
194: *** Open Babel Warning  in GetSpacedFormula
194:   Skipping unknown element with atomic number 200
194: ok 14
194: ok 15 0
194: 1..15
193/223 Test #194: test_mol_1 .......................   Passed    0.28 sec
test 195
        Start 195: test_pdbreadfile_1

195: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "pdbreadfile" "1"
195: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
195: Environment variables: 
195:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
195:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
195: Test timeout computed to be: 1500
193: ok 12795
193: ok 12796
193: ok 12797
193: ok 12798
193: ok 12799
193: ok 12800
193: ok 12801
193: ok 12802
193: ok 12803
193: ok 12804
193: ok 12805
193: ok 12806
193: ok 12807
193: ok 12808
193: ok 12809
193: ok 12810
193: ok 12811
193: ok 12812
193: ok 12813
193: ok 12814
193: ok 12815
193: ok 12816
193: ok 12817
193: ok 12818
193: ok 12819
193: ok 12820
193: ok 12821
193: ok 12822
193: ok 12823
193: ok 12824
193: ok 12825
193: ok 12826
193: ok 12827
193: ok 12828
193: ok 12829
193: ok 12830
193: ok 12831
193: ok 12832
193: ok 12833
193: ok 12834
193: ok 12835
193: ok 12836
193: ok 12837
193: ok 12838
193: ok 12839
193: ok 12840
193: ok 12841
193: ok 12842
193: ok 12843
193: ok 12844
193: ok 12845
193: ok 12846
193: ok 12847
193: ok 12848
193: ok 12849
193: ok 12850
193: ok 12851
193: ok 12852
193: ok 12853
193: ok 12854
193: ok 12855
193: ok 12856
193: ok 12857
193: ok 12858
193: ok 12859
193: ok 12860
193: ok 12861
193: ok 12862
193: ok 12863
193: ok 12864
193: ok 12865
193: ok 12866
193: ok 12867
193: ok 12868
193: ok 12869
193: ok 12870
193: ok 12871
193: ok 12872
193: ok 12873
193: ok 12874
193: ok 12875
193: ok 12876
193: ok 12877
193: ok 12878
193: ok 12879
193: ok 12880
193: ok 12881
193: ok 12882
193: ok 12883
193: ok 12884
193: ok 12885
193: ok 12886
193: ok 12887
193: ok 12888
193: ok 12889
193: ok 12890
193: ok 12891
193: ok 12892
193: ok 12893
193: ok 12894
193: ok 12895
193: ok 12896
193: ok 12897
193: ok 12898
193: ok 12899
193: ok 12900
193: ok 12901
193: ok 12902
193: ok 12903
193: ok 12904
193: ok 12905
193: ok 12906
193: ok 12907
193: ok 12908
193: ok 12909
193: ok 12910
193: ok 12911
193: ok 12912
193: ok 12913
193: ok 12914
193: ok 12915
193: ok 12916
193: ok 12917
193: ok 12918
193: ok 12919
193: ok 12920
193: ok 12921
193: ok 12922
193: ok 12923
193: ok 12924
193: ok 12925
193: ok 12926
193: ok 12927
193: ok 12928
193: ok 12929
193: ok 12930
193: ok 12931
193: ok 12932
193: ok 12933
193: ok 12934
193: ok 12935
193: ok 12936
193: ok 12937
193: ok 12938
193: ok 12939
193: ok 12940
193: ok 12941
193: ok 12942
193: ok 12943
193: ok 12944
193: ok 12945
193: ok 12946
193: ok 12947
193: ok 12948
193: ok 12949
193: ok 12950
193: ok 12951
193: ok 12952
193: ok 12953
193: ok 12954
193: ok 12955
193: ok 12956
193: ok 12957
193: ok 12958
193: ok 12959
193: ok 12960
193: ok 12961
193: ok 12962
193: ok 12963
193: ok 12964
193: ok 12965
193: ok 12966
193: ok 12967
193: ok 12968
193: ok 12969
193: ok 12970
193: ok 12971
193: ok 12972
193: ok 12973
193: ok 12974
193: ok 12975
193: ok 12976
193: ok 12977
193: ok 12978
193: ok 12979
193: ok 12980
193: ok 12981
193: ok 12982
193: ok 12983
193: ok 12984
193: ok 12985
193: ok 12986
193: ok 12987
193: ok 12988
193: ok 12989
193: ok 12990
193: ok 12991
193: ok 12992
193: ok 12993
193: ok 12994
193: ok 12995
193: ok 12996
193: ok 12997
193: ok 12998
193: ok 12999
193: ok 13000
193: ok 13001
193: ok 13002
193: ok 13003
193: ok 13004
193: ok 13005
193: ok 13006
193: ok 13007
193: ok 13008
193: ok 13009
193: ok 13010
193: ok 13011
193: ok 13012
193: ok 13013
193: ok 13014
193: ok 13015
193: ok 13016
193: ok 13017
193: ok 13018
193: ok 13019
193: ok 13020
193: ok 13021
193: ok 13022
193: ok 13023
193: ok 13024
193: ok 13025
193: ok 13026
193: ok 13027
193: ok 13028
193: ok 13029
193: ok 13030
193: ok 13031
193: ok 13032
193: ok 13033
193: ok 13034
193: ok 13035
193: ok 13036
193: ok 13037
193: ok 13038
193: ok 13039
193: ok 13040
193: ok 13041
193: ok 13042
193: ok 13043
193: ok 13044
193: ok 13045
193: ok 13046
193: ok 13047
193: ok 13048
193: ok 13049
193: ok 13050
193: ok 13051
193: ok 13052
193: ok 13053
193: ok 13054
193: ok 13055
193: ok 13056
193: ok 13057
193: ok 13058
193: ok 13059
193: ok 13060
193: ok 13061
193: ok 13062
193: ok 13063
193: ok 13064
193: ok 13065
193: ok 13066
193: ok 13067
193: ok 13068
193: ok 13069
193: ok 13070
193: ok 13071
193: ok 13072
193: ok 13073
193: ok 13074
193: ok 13075
193: ok 13076
193: ok 13077
193: ok 13078
193: ok 13079
193: ok 13080
193: ok 13081
193: ok 13082
193: ok 13083
193: ok 13084
193: ok 13085
193: ok 13086
193: ok 13087
193: ok 13088
193: ok 13089
193: ok 13090
193: ok 13091
193: ok 13092
193: ok 13093
193: ok 13094
193: ok 13095
193: ok 13096
193: ok 13097
193: ok 13098
193: ok 13099
193: ok 13100
193: ok 13101
193: ok 13102
193: ok 13103
193: ok 13104
193: ok 13105
193: ok 13106
193: ok 13107
193: ok 13108
193: ok 13109
193: ok 13110
193: ok 13111
193: ok 13112
193: ok 13113
193: ok 13114
193: ok 13115
193: ok 13116
193: ok 13117
193: ok 13118
193: ok 13119
193: ok 13120
193: ok 13121
193: ok 13122
193: ok 13123
193: ok 13124
193: ok 13125
193: ok 13126
193: ok 13127
193: ok 13128
193: ok 13129
193: ok 13130
193: ok 13131
193: ok 13132
193: ok 13133
193: ok 13134
193: ok 13135
193: ok 13136
193: ok 13137
193: ok 13138
193: ok 13139
193: ok 13140
193: ok 13141
193: ok 13142
193: ok 13143
193: ok 13144
193: ok 13145
193: ok 13146
193: ok 13147
193: ok 13148
193: ok 13149
193: ok 13150
193: ok 13151
193: ok 13152
193: ok 13153
193: ok 13154
193: ok 13155
193: ok 13156
193: ok 13157
193: ok 13158
193: ok 13159
193: ok 13160
193: ok 13161
193: ok 13162
193: ok 13163
193: ok 13164
193: ok 13165
193: ok 13166
193: ok 13167
193: ok 13168
193: ok 13169
193: ok 13170
193: ok 13171
193: ok 13172
193: ok 13173
193: ok 13174
193: ok 13175
193: ok 13176
193: ok 13177
193: ok 13178
193: ok 13179
193: ok 13180
193: ok 13181
193: ok 13182
193: ok 13183
193: ok 13184
193: ok 13185
193: ok 13186
193: ok 13187
193: ok 13188
193: ok 13189
193: ok 13190
193: ok 13191
193: ok 13192
193: ok 13193
193: ok 13194
193: ok 13195
193: ok 13196
193: ok 13197
193: ok 13198
193: ok 13199
193: ok 13200
193: ok 13201
193: ok 13202
193: ok 13203
193: ok 13204
193: ok 13205
193: ok 13206
193: ok 13207
193: ok 13208
193: ok 13209
193: ok 13210
193: ok 13211
193: ok 13212
193: ok 13213
193: ok 13214
193: ok 13215
193: ok 13216
193: ok 13217
193: ok 13218
193: ok 13219
193: ok 13220
193: ok 13221
193: ok 13222
193: ok 13223
193: ok 13224
193: ok 13225
193: ok 13226
193: ok 13227
193: ok 13228
193: ok 13229
193: ok 13230
193: ok 13231
193: ok 13232
193: ok 13233
193: ok 13234
193: ok 13235
193: ok 13236
193: ok 13237
193: ok 13238
193: ok 13239
193: ok 13240
193: ok 13241
193: ok 13242
193: ok 13243
193: ok 13244
193: ok 13245
193: ok 13246
193: ok 13247
193: ok 13248
193: ok 13249
193: ok 13250
193: ok 13251
193: ok 13252
193: ok 13253
193: ok 13254
193: ok 13255
193: ok 13256
193: ok 13257
193: ok 13258
193: ok 13259
193: ok 13260
193: ok 13261
193: ok 13262
193: ok 13263
193: ok 13264
193: ok 13265
193: ok 13266
193: ok 13267
193: ok 13268
193: ok 13269
193: ok 13270
193: ok 13271
193: ok 13272
193: ok 13273
193: ok 13274
193: ok 13275
193: ok 13276
193: ok 13277
193: ok 13278
193: ok 13279
193: ok 13280
193: ok 13281
193: ok 13282
193: ok 13283
193: ok 13284
193: ok 13285
193: ok 13286
193: ok 13287
193: ok 13288
193: ok 13289
193: ok 13290
193: ok 13291
193: ok 13292
193: ok 13293
193: ok 13294
193: ok 13295
193: ok 13296
193: ok 13297
193: ok 13298
193: ok 13299
193: ok 13300
193: ok 13301
193: ok 13302
193: ok 13303
193: ok 13304
193: ok 13305
193: ok 13306
193: ok 13307
193: ok 13308
193: ok 13309
193: ok 13310
193: ok 13311
193: ok 13312
193: ok 13313
193: ok 13314
193: ok 13315
193: ok 13316
193: ok 13317
193: ok 13318
193: ok 13319
193: ok 13320
193: ok 13321
193: ok 13322
193: ok 13323
193: ok 13324
193: ok 13325
193: ok 13326
193: ok 13327
193: ok 13328
193: ok 13329
193: ok 13330
193: ok 13331
193: ok 13332
193: ok 13333
193: ok 13334
193: ok 13335
193: ok 13336
193: ok 13337
193: ok 13338
193: ok 13339
193: ok 13340
193: ok 13341
193: ok 13342
193: ok 13343
193: ok 13344
193: ok 13345
193: ok 13346
193: ok 13347
193: ok 13348
193: ok 13349
193: ok 13350
193: ok 13351
193: ok 13352
193: ok 13353
193: ok 13354
193: ok 13355
193: ok 13356
193: ok 13357
193: ok 13358
193: ok 13359
193: ok 13360
193: ok 13361
193: ok 13362
193: ok 13363
193: ok 13364
193: ok 13365
193: ok 13366
193: ok 13367
193: ok 13368
193: ok 13369
193: ok 13370
193: ok 13371
193: ok 13372
193: ok 13373
193: ok 13374
193: ok 13375
193: ok 13376
193: ok 13377
193: ok 13378
193: ok 13379
193: ok 13380
193: ok 13381
193: ok 13382
193: ok 13383
193: ok 13384
193: ok 13385
193: ok 13386
193: ok 13387
193: ok 13388
193: ok 13389
193: ok 13390
193: ok 13391
193: ok 13392
193: ok 13393
193: ok 13394
193: ok 13395
193: ok 13396
193: ok 13397
193: ok 13398
193: ok 13399
193: ok 13400
193: ok 13401
193: ok 13402
193: ok 13403
193: ok 13404
193: ok 13405
193: ok 13406
193: ok 13407
193: ok 13408
193: ok 13409
193: ok 13410
193: ok 13411
193: ok 13412
193: ok 13413
193: ok 13414
193: ok 13415
193: ok 13416
193: ok 13417
193: ok 13418
193: ok 13419
193: ok 13420
193: ok 13421
193: ok 13422
193: ok 13423
193: ok 13424
193: ok 13425
193: ok 13426
193: ok 13427
193: ok 13428
193: ok 13429
193: ok 13430
193: ok 13431
193: ok 13432
193: ok 13433
193: ok 13434
193: ok 13435
193: ok 13436
193: ok 13437
193: ok 13438
193: ok 13439
193: ok 13440
193: ok 13441
193: ok 13442
193: ok 13443
193: ok 13444
193: ok 13445
193: ok 13446
193: ok 13447
193: ok 13448
193: ok 13449
193: ok 13450
193: ok 13451
193: ok 13452
193: ok 13453
193: ok 13454
193: ok 13455
193: ok 13456
193: ok 13457
193: ok 13458
193: ok 13459
193: ok 13460
193: ok 13461
193: ok 13462
193: ok 13463
193: ok 13464
193: ok 13465
193: ok 13466
193: ok 13467
193: ok 13468
193: ok 13469
193: ok 13470
193: ok 13471
193: ok 13472
193: ok 13473
193: ok 13474
193: ok 13475
193: ok 13476
193: ok 13477
193: ok 13478
193: ok 13479
193: ok 13480
193: ok 13481
193: ok 13482
193: ok 13483
193: ok 13484
193: ok 13485
193: ok 13486
193: ok 13487
193: ok 13488
193: ok 13489
193: ok 13490
193: ok 13491
193: ok 13492
193: ok 13493
193: ok 13494
193: ok 13495
193: ok 13496
193: ok 13497
193: ok 13498
193: ok 13499
193: ok 13500
193: ok 13501
193: ok 13502
193: ok 13503
193: ok 13504
193: ok 13505
193: ok 13506
193: ok 13507
193: ok 13508
193: ok 13509
193: ok 13510
193: ok 13511
193: ok 13512
193: ok 13513
193: ok 13514
193: ok 13515
193: ok 13516
193: ok 13517
193: ok 13518
193: ok 13519
193: ok 13520
193: ok 13521
193: ok 13522
193: ok 13523
193: ok 13524
193: ok 13525
193: ok 13526
193: ok 13527
193: ok 13528
193: ok 13529
193: ok 13530
193: ok 13531
193: ok 13532
193: ok 13533
193: ok 13534
193: ok 13535
193: ok 13536
193: ok 13537
193: ok 13538
193: ok 13539
193: ok 13540
193: ok 13541
193: ok 13542
193: ok 13543
193: ok 13544
193: ok 13545
193: ok 13546
193: ok 13547
193: ok 13548
193: ok 13549
193: ok 13550
193: ok 13551
193: ok 13552
193: ok 13553
193: ok 13554
193: ok 13555
193: ok 13556
193: ok 13557
193: ok 13558
193: ok 13559
193: ok 13560
193: ok 13561
193: ok 13562
193: ok 13563
193: ok 13564
193: ok 13565
193: ok 13566
193: ok 13567
193: ok 13568
193: ok 13569
193: ok 13570
193: ok 13571
193: ok 13572
193: ok 13573
193: ok 13574
193: ok 13575
193: ok 13576
193: ok 13577
193: ok 13578
193: ok 13579
193: ok 13580
193: ok 13581
193: ok 13582
193: ok 13583
193: ok 13584
193: ok 13585
193: ok 13586
193: ok 13587
193: ok 13588
193: ok 13589
193: ok 13590
193: ok 13591
193: ok 13592
193: ok 13593
193: ok 13594
193: ok 13595
193: ok 13596
193: ok 13597
193: ok 13598
193: ok 13599
193: ok 13600
193: ok 13601
193: ok 13602
193: ok 13603
193: ok 13604
193: ok 13605
193: ok 13606
193: ok 13607
193: ok 13608
193: ok 13609
193: ok 13610
193: ok 13611
193: ok 13612
193: ok 13613
193: ok 13614
193: ok 13615
193: ok 13616
193: ok 13617
193: ok 13618
193: ok 13619
193: ok 13620
193: ok 13621
193: ok 13622
193: ok 13623
193: ok 13624
193: ok 13625
193: ok 13626
193: ok 13627
193: ok 13628
193: ok 13629
193: ok 13630
193: ok 13631
193: ok 13632
193: ok 13633
193: ok 13634
193: ok 13635
193: ok 13636
193: ok 13637
193: ok 13638
193: ok 13639
193: ok 13640
193: ok 13641
193: ok 13642
193: ok 13643
193: ok 13644
193: ok 13645
193: ok 13646
193: ok 13647
193: ok 13648
193: ok 13649
193: ok 13650
193: ok 13651
193: ok 13652
193: ok 13653
193: ok 13654
193: ok 13655
193: ok 13656
193: ok 13657
193: ok 13658
193: ok 13659
193: ok 13660
193: ok 13661
193: ok 13662
193: ok 13663
193: ok 13664
193: ok 13665
193: ok 13666
193: ok 13667
193: ok 13668
193: ok 13669
193: ok 13670
193: ok 13671
193: ok 13672
193: ok 13673
193: ok 13674
193: ok 13675
193: ok 13676
193: ok 13677
193: ok 13678
193: ok 13679
193: ok 13680
193: ok 13681
193: ok 13682
193: ok 13683
193: ok 13684
193: ok 13685
193: ok 13686
193: ok 13687
193: ok 13688
193: ok 13689
193: ok 13690
193: ok 13691
193: ok 13692
193: ok 13693
193: ok 13694
193: ok 13695
193: ok 13696
193: ok 13697
193: ok 13698
193: ok 13699
193: ok 13700
193: ok 13701
193: ok 13702
193: ok 13703
193: ok 13704
193: ok 13705
193: ok 13706
193: ok 13707
193: ok 13708
193: ok 13709
193: ok 13710
193: ok 13711
193: ok 13712
193: ok 13713
193: ok 13714
193: ok 13715
193: ok 13716
193: ok 13717
193: ok 13718
193: ok 13719
193: ok 13720
193: ok 13721
193: ok 13722
193: ok 13723
193: ok 13724
193: ok 13725
193: ok 13726
193: ok 13727
193: ok 13728
193: ok 13729
193: ok 13730
193: ok 13731
193: ok 13732
193: ok 13733
193: ok 13734
193: ok 13735
193: ok 13736
193: ok 13737
193: ok 13738
193: ok 13739
193: ok 13740
193: ok 13741
193: ok 13742
193: ok 13743
193: ok 13744
193: ok 13745
193: ok 13746
193: ok 13747
193: ok 13748
193: ok 13749
193: ok 13750
193: ok 13751
193: ok 13752
193: ok 13753
193: ok 13754
193: ok 13755
193: ok 13756
193: ok 13757
193: ok 13758
193: ok 13759
193: ok 13760
193: ok 13761
193: ok 13762
193: ok 13763
193: ok 13764
193: ok 13765
193: ok 13766
193: ok 13767
193: ok 13768
193: ok 13769
193: ok 13770
193: ok 13771
193: ok 13772
193: ok 13773
193: ok 13774
193: ok 13775
193: ok 13776
193: ok 13777
193: ok 13778
193: ok 13779
193: ok 13780
193: ok 13781
193: ok 13782
193: ok 13783
193: ok 13784
193: ok 13785
193: ok 13786
193: ok 13787
193: ok 13788
193: ok 13789
193: ok 13790
193: ok 13791
193: ok 13792
193: ok 13793
193: ok 13794
193: ok 13795
193: ok 13796
193: ok 13797
193: ok 13798
193: ok 13799
193: ok 13800
193: ok 13801
193: ok 13802
193: ok 13803
193: ok 13804
193: ok 13805
193: ok 13806
193: ok 13807
193: ok 13808
193: ok 13809
193: ok 13810
193: ok 13811
193: ok 13812
193: ok 13813
193: ok 13814
193: ok 13815
193: ok 13816
193: ok 13817
193: ok 13818
193: ok 13819
193: ok 13820
193: ok 13821
193: ok 13822
193: ok 13823
193: ok 13824
193: ok 13825
193: ok 13826
193: ok 13827
193: ok 13828
193: ok 13829
193: ok 13830
193: ok 13831
193: ok 13832
193: ok 13833
193: ok 13834
193: ok 13835
193: ok 13836
193: ok 13837
193: ok 13838
193: ok 13839
193: ok 13840
193: ok 13841
193: ok 13842
193: ok 13843
193: ok 13844
193: ok 13845
193: ok 13846
193: ok 13847
193: ok 13848
193: ok 13849
193: ok 13850
193: ok 13851
193: ok 13852
193: ok 13853
193: ok 13854
193: ok 13855
193: ok 13856
193: ok 13857
193: ok 13858
193: ok 13859
193: ok 13860
193: ok 13861
193: ok 13862
193: ok 13863
193: ok 13864
193: ok 13865
193: ok 13866
193: ok 13867
193: ok 13868
193: ok 13869
193: ok 13870
193: ok 13871
193: ok 13872
193: ok 13873
193: ok 13874
193: ok 13875
193: ok 13876
193: ok 13877
193: ok 13878
193: ok 13879
193: ok 13880
193: ok 13881
193: ok 13882
193: ok 13883
193: ok 13884
193: ok 13885
193: ok 13886
193: ok 13887
193: ok 13888
193: ok 13889
193: ok 13890
193: ok 13891
193: ok 13892
193: ok 13893
193: ok 13894
193: ok 13895
193: ok 13896
193: ok 13897
193: ok 13898
193: ok 13899
193: ok 13900
193: ok 13901
193: ok 13902
193: ok 13903
193: ok 13904
193: ok 13905
193: ok 13906
193: ok 13907
193: ok 13908
193: ok 13909
193: ok 13910
193: ok 13911
193: ok 13912
193: ok 13913
193: ok 13914
193: ok 13915
193: ok 13916
193: ok 13917
193: ok 13918
193: ok 13919
193: ok 13920
193: ok 13921
193: ok 13922
193: ok 13923
193: ok 13924
193: ok 13925
193: ok 13926
193: ok 13927
193: ok 13928
193: ok 13929
193: ok 13930
193: ok 13931
193: ok 13932
193: ok 13933
193: ok 13934
193: ok 13935
193: ok 13936
193: ok 13937
193: ok 13938
193: ok 13939
193: ok 13940
193: ok 13941
193: ok 13942
193: ok 13943
193: ok 13944
193: ok 13945
193: ok 13946
193: ok 13947
193: ok 13948
193: ok 13949
193: ok 13950
193: ok 13951
193: ok 13952
193: ok 13953
193: ok 13954
193: ok 13955
193: ok 13956
193: ok 13957
193: ok 13958
193: ok 13959
193: ok 13960
193: ok 13961
193: ok 13962
193: ok 13963
193: ok 13964
193: ok 13965
193: ok 13966
193: ok 13967
193: ok 13968
193: ok 13969
193: ok 13970
193: ok 13971
193: ok 13972
193: ok 13973
193: ok 13974
193: ok 13975
193: ok 13976
193: ok 13977
193: ok 13978
193: ok 13979
193: ok 13980
193: ok 13981
193: ok 13982
193: ok 13983
193: ok 13984
193: ok 13985
193: ok 13986
193: ok 13987
193: ok 13988
193: ok 13989
193: ok 13990
193: ok 13991
193: ok 13992
193: ok 13993
193: ok 13994
193: ok 13995
193: ok 13996
193: ok 13997
193: ok 13998
193: ok 13999
193: ok 14000
193: ok 14001
193: ok 14002
193: ok 14003
193: ok 14004
193: ok 14005
193: ok 14006
193: ok 14007
193: ok 14008
193: ok 14009
193: ok 14010
193: ok 14011
193: ok 14012
193: ok 14013
193: ok 14014
193: ok 14015
193: ok 14016
193: ok 14017
193: ok 14018
193: ok 14019
193: ok 14020
193: ok 14021
193: ok 14022
193: ok 14023
193: ok 14024
193: ok 14025
193: ok 14026
193: ok 14027
193: ok 14028
193: ok 14029
193: ok 14030
193: ok 14031
193: ok 14032
193: ok 14033
193: ok 14034
193: ok 14035
193: ok 14036
193: ok 14037
193: ok 14038
193: ok 14039
193: ok 14040
193: ok 14041
193: ok 14042
193: ok 14043
193: ok 14044
193: ok 14045
193: ok 14046
193: ok 14047
193: ok 14048
193: ok 14049
193: ok 14050
193: ok 14051
193: ok 14052
193: ok 14053
193: ok 14054
193: ok 14055
193: ok 14056
193: ok 14057
193: ok 14058
193: ok 14059
193: ok 14060
193: ok 14061
193: ok 14062
193: ok 14063
193: ok 14064
193: ok 14065
193: ok 14066
193: ok 14067
193: ok 14068
193: ok 14069
193: ok 14070
193: ok 14071
193: ok 14072
193: ok 14073
193: ok 14074
193: ok 14075
193: ok 14076
193: ok 14077
193: ok 14078
193: ok 14079
193: ok 14080
193: ok 14081
193: ok 14082
193: ok 14083
193: ok 14084
193: ok 14085
193: ok 14086
193: ok 14087
193: ok 14088
193: ok 14089
193: ok 14090
193: ok 14091
193: ok 14092
193: ok 14093
193: ok 14094
193: ok 14095
193: ok 14096
193: ok 14097
193: ok 14098
193: ok 14099
193: ok 14100
193: ok 14101
193: ok 14102
193: ok 14103
193: ok 14104
193: ok 14105
193: ok 14106
193: ok 14107
193: ok 14108
193: ok 14109
193: ok 14110
193: ok 14111
193: ok 14112
193: ok 14113
193: ok 14114
193: ok 14115
193: ok 14116
193: ok 14117
193: ok 14118
193: ok 14119
193: ok 14120
193: ok 14121
193: ok 14122
193: ok 14123
193: ok 14124
193: ok 14125
193: ok 14126
193: ok 14127
193: ok 14128
193: ok 14129
193: ok 14130
193: ok 14131
193: ok 14132
193: ok 14133
193: ok 14134
193: ok 14135
193: ok 14136
193: ok 14137
193: ok 14138
193: ok 14139
193: ok 14140
193: ok 14141
193: ok 14142
193: ok 14143
193: ok 14144
193: ok 14145
193: ok 14146
193: ok 14147
193: ok 14148
193: ok 14149
193: ok 14150
193: ok 14151
193: ok 14152
193: ok 14153
193: ok 14154
193: ok 14155
193: ok 14156
193: ok 14157
193: ok 14158
193: ok 14159
193: ok 14160
193: ok 14161
193: ok 14162
193: ok 14163
193: ok 14164
193: ok 14165
193: ok 14166
193: ok 14167
193: ok 14168
193: ok 14169
193: ok 14170
193: ok 14171
193: ok 14172
193: ok 14173
193: ok 14174
193: ok 14175
193: ok 14176
193: ok 14177
193: ok 14178
193: ok 14179
193: ok 14180
193: ok 14181
193: ok 14182
193: ok 14183
193: ok 14184
193: ok 14185
193: ok 14186
193: ok 14187
193: ok 14188
193: ok 14189
193: ok 14190
193: ok 14191
193: ok 14192
193: ok 14193
193: ok 14194
193: ok 14195
193: ok 14196
193: ok 14197
193: ok 14198
193: ok 14199
193: ok 14200
193: ok 14201
193: ok 14202
193: ok 14203
193: ok 14204
193: ok 14205
193: ok 14206
193: ok 14207
193: ok 14208
193: ok 14209
193: ok 14210
193: ok 14211
193: ok 14212
193: ok 14213
193: ok 14214
193: ok 14215
193: ok 14216
193: ok 14217
193: ok 14218
193: ok 14219
193: ok 14220
193: ok 14221
193: ok 14222
193: ok 14223
193: ok 14224
193: ok 14225
193: ok 14226
193: ok 14227
193: ok 14228
193: ok 14229
193: ok 14230
193: ok 14231
193: ok 14232
193: ok 14233
193: ok 14234
193: ok 14235
193: ok 14236
193: ok 14237
193: ok 14238
193: ok 14239
193: ok 14240
193: ok 14241
193: ok 14242
193: ok 14243
193: ok 14244
193: ok 14245
193: ok 14246
193: ok 14247
193: ok 14248
193: ok 14249
193: ok 14250
193: ok 14251
193: ok 14252
193: ok 14253
193: ok 14254
193: ok 14255
193: ok 14256
193: ok 14257
193: ok 14258
193: ok 14259
193: ok 14260
193: ok 14261
193: ok 14262
193: ok 14263
193: ok 14264
193: ok 14265
193: ok 14266
193: ok 14267
193: ok 14268
193: ok 14269
193: ok 14270
193: ok 14271
193: ok 14272
193: ok 14273
193: ok 14274
193: ok 14275
193: ok 14276
193: ok 14277
193: ok 14278
193: ok 14279
193: ok 14280
193: ok 14281
193: ok 14282
193: ok 14283
193: ok 14284
193: ok 14285
193: ok 14286
193: ok 14287
193: ok 14288
193: ok 14289
193: ok 14290
193: ok 14291
193: ok 14292
193: ok 14293
193: ok 14294
193: ok 14295
193: ok 14296
193: ok 14297
193: ok 14298
193: ok 14299
193: ok 14300
193: ok 14301
193: ok 14302
193: ok 14303
193: ok 14304
193: ok 14305
193: ok 14306
193: ok 14307
193: ok 14308
193: ok 14309
193: ok 14310
193: ok 14311
193: ok 14312
193: ok 14313
193: ok 14314
193: ok 14315
193: ok 14316
193: ok 14317
193: ok 14318
193: ok 14319
193: ok 14320
193: ok 14321
193: ok 14322
193: ok 14323
193: ok 14324
193: ok 14325
193: ok 14326
193: ok 14327
193: ok 14328
193: ok 14329
193: ok 14330
193: ok 14331
193: ok 14332
193: ok 14333
193: ok 14334
193: ok 14335
193: ok 14336
193: ok 14337
193: ok 14338
193: ok 14339
193: ok 14340
193: ok 14341
193: ok 14342
193: ok 14343
193: ok 14344
193: ok 14345
193: ok 14346
193: ok 14347
193: ok 14348
193: ok 14349
193: ok 14350
193: ok 14351
193: ok 14352
193: ok 14353
193: ok 14354
193: ok 14355
193: ok 14356
193: ok 14357
193: ok 14358
193: ok 14359
193: ok 14360
193: ok 14361
193: ok 14362
193: ok 14363
193: ok 14364
193: ok 14365
193: ok 14366
193: ok 14367
193: ok 14368
193: ok 14369
193: ok 14370
193: ok 14371
193: ok 14372
193: ok 14373
193: ok 14374
193: ok 14375
193: ok 14376
193: ok 14377
193: ok 14378
193: ok 14379
193: ok 14380
193: ok 14381
193: ok 14382
193: ok 14383
193: ok 14384
193: ok 14385
193: ok 14386
193: ok 14387
193: ok 14388
193: ok 14389
193: ok 14390
193: ok 14391
193: ok 14392
193: ok 14393
193: ok 14394
193: ok 14395
193: ok 14396
193: ok 14397
193: ok 14398
193: ok 14399
193: ok 14400
193: ok 14401
193: ok 14402
193: ok 14403
193: ok 14404
193: ok 14405
193: ok 14406
193: ok 14407
193: ok 14408
193: ok 14409
193: ok 14410
193: ok 14411
193: ok 14412
193: ok 14413
193: ok 14414
193: ok 14415
193: ok 14416
193: ok 14417
193: ok 14418
193: ok 14419
193: ok 14420
193: ok 14421
193: ok 14422
193: ok 14423
193: ok 14424
193: ok 14425
193: ok 14426
193: ok 14427
193: ok 14428
193: ok 14429
193: ok 14430
193: ok 14431
193: ok 14432
193: ok 14433
193: ok 14434
193: ok 14435
193: ok 14436
193: ok 14437
193: ok 14438
193: ok 14439
193: ok 14440
193: ok 14441
193: ok 14442
193: ok 14443
193: ok 14444
193: ok 14445
193: ok 14446
193: ok 14447
193: ok 14448
193: ok 14449
193: ok 14450
193: ok 14451
193: ok 14452
193: ok 14453
193: ok 14454
193: ok 14455
193: ok 14456
193: ok 14457
193: ok 14458
193: ok 14459
193: ok 14460
193: ok 14461
193: ok 14462
193: ok 14463
193: ok 14464
193: ok 14465
193: ok 14466
193: ok 14467
193: ok 14468
193: ok 14469
193: ok 14470
193: ok 14471
193: ok 14472
193: ok 14473
193: ok 14474
193: ok 14475
193: ok 14476
193: ok 14477
193: ok 14478
193: ok 14479
193: ok 14480
193: ok 14481
193: ok 14482
193: ok 14483
193: ok 14484
193: ok 14485
193: ok 14486
193: ok 14487
193: ok 14488
193: ok 14489
193: ok 14490
193: ok 14491
193: ok 14492
193: ok 14493
193: ok 14494
193: ok 14495
193: ok 14496
193: ok 14497
193: ok 14498
193: ok 14499
193: ok 14500
193: ok 14501
193: ok 14502
193: ok 14503
193: ok 14504
193: ok 14505
193: ok 14506
193: ok 14507
193: ok 14508
193: ok 14509
193: ok 14510
193: ok 14511
193: ok 14512
193: ok 14513
193: ok 14514
193: ok 14515
193: ok 14516
193: ok 14517
193: ok 14518
193: ok 14519
193: ok 14520
193: ok 14521
193: ok 14522
193: ok 14523
193: ok 14524
193: ok 14525
193: ok 14526
193: ok 14527
193: ok 14528
193: ok 14529
193: ok 14530
193: ok 14531
193: ok 14532
193: ok 14533
193: ok 14534
193: ok 14535
193: ok 14536
193: ok 14537
193: ok 14538
193: ok 14539
193: ok 14540
193: ok 14541
193: ok 14542
193: ok 14543
193: ok 14544
193: ok 14545
193: ok 14546
193: ok 14547
193: ok 14548
193: ok 14549
193: ok 14550
193: ok 14551
193: ok 14552
193: ok 14553
193: ok 14554
193: ok 14555
193: ok 14556
193: ok 14557
193: ok 14558
193: ok 14559
193: ok 14560
193: ok 14561
193: ok 14562
193: ok 14563
193: ok 14564
193: ok 14565
193: ok 14566
193: ok 14567
193: ok 14568
193: ok 14569
193: ok 14570
193: ok 14571
193: ok 14572
193: ok 14573
193: ok 14574
193: ok 14575
193: ok 14576
193: ok 14577
193: ok 14578
193: ok 14579
193: ok 14580
193: ok 14581
193: ok 14582
193: ok 14583
193: ok 14584
193: ok 14585
193: ok 14586
193: ok 14587
193: ok 14588
193: ok 14589
193: ok 14590
193: ok 14591
193: ok 14592
193: ok 14593
193: ok 14594
193: ok 14595
193: ok 14596
193: ok 14597
193: ok 14598
193: ok 14599
193: ok 14600
193: ok 14601
193: ok 14602
193: ok 14603
193: ok 14604
193: ok 14605
193: ok 14606
193: ok 14607
193: ok 14608
193: ok 14609
193: ok 14610
193: ok 14611
193: ok 14612
193: ok 14613
193: ok 14614
193: ok 14615
193: ok 14616
193: ok 14617
193: ok 14618
193: ok 14619
193: ok 14620
193: ok 14621
193: ok 14622
193: ok 14623
193: ok 14624
193: ok 14625
193: ok 14626
193: ok 14627
193: ok 14628
193: ok 14629
193: ok 14630
193: ok 14631
193: ok 14632
193: ok 14633
193: ok 14634
193: ok 14635
193: ok 14636
193: ok 14637
193: ok 14638
193: ok 14639
193: ok 14640
193: ok 14641
193: ok 14642
193: ok 14643
193: ok 14644
193: ok 14645
193: ok 14646
193: ok 14647
193: ok 14648
193: ok 14649
193: ok 14650
193: ok 14651
193: ok 14652
193: ok 14653
193: ok 14654
193: ok 14655
193: ok 14656
193: ok 14657
193: ok 14658
193: ok 14659
193: ok 14660
193: ok 14661
193: ok 14662
193: ok 14663
193: ok 14664
193: ok 14665
193: ok 14666
193: ok 14667
193: ok 14668
193: ok 14669
193: ok 14670
193: ok 14671
193: ok 14672
193: ok 14673
193: ok 14674
193: ok 14675
193: ok 14676
193: ok 14677
193: ok 14678
193: ok 14679
193: ok 14680
193: ok 14681
193: ok 14682
193: ok 14683
193: ok 14684
193: ok 14685
193: ok 14686
193: ok 14687
193: ok 14688
193: ok 14689
193: ok 14690
193: ok 14691
193: ok 14692
193: ok 14693
193: ok 14694
193: ok 14695
193: ok 14696
193: ok 14697
193: ok 14698
193: ok 14699
193: ok 14700
193: ok 14701
193: ok 14702
193: ok 14703
193: ok 14704
193: ok 14705
193: ok 14706
193: ok 14707
193: ok 14708
193: ok 14709
193: ok 14710
193: ok 14711
193: ok 14712
193: ok 14713
193: ok 14714
193: ok 14715
193: ok 14716
193: ok 14717
193: ok 14718
193: ok 14719
193: ok 14720
193: ok 14721
193: ok 14722
193: ok 14723
193: ok 14724
193: ok 14725
193: ok 14726
193: ok 14727
193: ok 14728
193: ok 14729
193: ok 14730
193: ok 14731
193: ok 14732
193: ok 14733
193: ok 14734
193: ok 14735
193: ok 14736
193: ok 14737
193: ok 14738
193: ok 14739
193: ok 14740
193: ok 14741
193: ok 14742
193: ok 14743
193: ok 14744
193: ok 14745
193: ok 14746
193: ok 14747
193: ok 14748
193: ok 14749
193: ok 14750
193: ok 14751
193: ok 14752
193: ok 14753
193: ok 14754
193: ok 14755
193: ok 14756
193: ok 14757
193: ok 14758
193: ok 14759
193: ok 14760
193: ok 14761
193: ok 14762
193: ok 14763
193: ok 14764
193: ok 14765
193: ok 14766
193: ok 14767
193: ok 14768
193: ok 14769
193: ok 14770
193: ok 14771
193: ok 14772
193: ok 14773
193: ok 14774
193: ok 14775
193: ok 14776
193: ok 14777
193: ok 14778
193: ok 14779
193: ok 14780
193: ok 14781
193: ok 14782
193: ok 14783
193: ok 14784
193: ok 14785
193: ok 14786
193: ok 14787
193: ok 14788
193: ok 14789
193: ok 14790
193: ok 14791
193: ok 14792
193: ok 14793
193: ok 14794
193: ok 14795
193: ok 14796
193: ok 14797
193: ok 14798
193: ok 14799
193: ok 14800
193: ok 14801
193: ok 14802
193: ok 14803
193: ok 14804
193: ok 14805
193: ok 14806
193: ok 14807
193: ok 14808
193: ok 14809
193: ok 14810
193: ok 14811
193: ok 14812
193: ok 14813
193: ok 14814
193: ok 14815
193: ok 14816
193: ok 14817
193: ok 14818
193: ok 14819
193: ok 14820
193: ok 14821
193: ok 14822
193: ok 14823
193: ok 14824
193: ok 14825
193: ok 14826
193: ok 14827
193: ok 14828
193: ok 14829
193: ok 14830
193: ok 14831
193: ok 14832
193: ok 14833
193: ok 14834
193: ok 14835
193: ok 14836
193: ok 14837
193: ok 14838
193: ok 14839
193: ok 14840
193: ok 14841
193: ok 14842
193: ok 14843
193: ok 14844
193: ok 14845
193: ok 14846
193: ok 14847
193: ok 14848
193: ok 14849
193: ok 14850
193: ok 14851
193: ok 14852
193: ok 14853
193: ok 14854
193: ok 14855
193: ok 14856
193: ok 14857
193: ok 14858
193: ok 14859
193: ok 14860
193: ok 14861
193: ok 14862
193: ok 14863
193: ok 14864
193: ok 14865
193: ok 14866
193: ok 14867
193: ok 14868
193: ok 14869
193: ok 14870
193: ok 14871
193: ok 14872
193: ok 14873
193: ok 14874
193: ok 14875
193: ok 14876
193: ok 14877
193: ok 14878
193: ok 14879
193: ok 14880
193: ok 14881
193: ok 14882
193: ok 14883
193: ok 14884
193: ok 14885
193: ok 14886
193: ok 14887
193: ok 14888
193: ok 14889
193: ok 14890
193: ok 14891
193: ok 14892
193: ok 14893
193: ok 14894
193: ok 14895
193: ok 14896
193: ok 14897
193: ok 14898
193: ok 14899
193: ok 14900
193: ok 14901
193: ok 14902
193: ok 14903
193: ok 14904
193: ok 14905
193: ok 14906
193: ok 14907
193: ok 14908
193: ok 14909
193: ok 14910
193: ok 14911
193: ok 14912
193: ok 14913
193: ok 14914
193: ok 14915
193: ok 14916
193: ok 14917
193: ok 14918
193: ok 14919
193: ok 14920
193: ok 14921
193: ok 14922
193: ok 14923
193: ok 14924
193: ok 14925
193: ok 14926
193: ok 14927
193: ok 14928
193: ok 14929
193: ok 14930
193: ok 14931
193: ok 14932
193: ok 14933
193: ok 14934
193: ok 14935
193: ok 14936
193: ok 14937
193: ok 14938
193: ok 14939
193: ok 14940
193: ok 14941
193: ok 14942
193: ok 14943
193: ok 14944
193: ok 14945
193: ok 14946
193: ok 14947
193: ok 14948
193: ok 14949
193: ok 14950
193: ok 14951
193: ok 14952
193: ok 14953
193: ok 14954
193: ok 14955
193: ok 14956
193: ok 14957
193: ok 14958
193: ok 14959
193: ok 14960
193: ok 14961
193: ok 14962
193: ok 14963
193: ok 14964
193: ok 14965
193: ok 14966
193: ok 14967
193: ok 14968
193: ok 14969
193: ok 14970
193: ok 14971
193: ok 14972
193: ok 14973
193: ok 14974
193: ok 14975
193: ok 14976
193: ok 14977
193: ok 14978
193: ok 14979
193: ok 14980
193: ok 14981
193: ok 14982
193: ok 14983
193: ok 14984
193: ok 14985
193: ok 14986
193: ok 14987
193: ok 14988
193: ok 14989
193: ok 14990
193: ok 14991
193: ok 14992
193: ok 14993
193: ok 14994
193: ok 14995
193: ok 14996
193: ok 14997
193: ok 14998
193: ok 14999
193: ok 15000
193: ok 15001
193: ok 15002
193: ok 15003
193: ok 15004
193: ok 15005
193: ok 15006
193: ok 15007
193: ok 15008
193: ok 15009
193: ok 15010
193: ok 15011
193: ok 15012
193: ok 15013
193: ok 15014
193: ok 15015
193: ok 15016
193: ok 15017
193: ok 15018
193: ok 15019
193: ok 15020
193: ok 15021
193: ok 15022
193: ok 15023
193: ok 15024
193: ok 15025
193: ok 15026
193: ok 15027
193: ok 15028
193: ok 15029
193: ok 15030
193: ok 15031
193: ok 15032
193: ok 15033
193: ok 15034
193: ok 15035
193: ok 15036
193: ok 15037
193: ok 15038
193: ok 15039
193: ok 15040
193: ok 15041
193: ok 15042
193: ok 15043
193: ok 15044
193: ok 15045
193: ok 15046
193: ok 15047
193: ok 15048
193: ok 15049
193: ok 15050
193: ok 15051
193: ok 15052
193: ok 15053
193: ok 15054
193: ok 15055
193: ok 15056
193: ok 15057
193: ok 15058
193: ok 15059
193: ok 15060
193: ok 15061
193: ok 15062
193: ok 15063
193: ok 15064
193: ok 15065
193: ok 15066
193: ok 15067
193: ok 15068
193: ok 15069
193: ok 15070
193: ok 15071
193: ok 15072
193: ok 15073
193: ok 15074
193: ok 15075
193: ok 15076
193: ok 15077
193: ok 15078
193: ok 15079
193: ok 15080
193: ok 15081
193: ok 15082
193: ok 15083
193: ok 15084
193: ok 15085
193: ok 15086
193: ok 15087
193: ok 15088
193: ok 15089
193: ok 15090
193: ok 15091
193: ok 15092
193: ok 15093
193: ok 15094
193: ok 15095
193: ok 15096
193: ok 15097
193: ok 15098
193: ok 15099
193: ok 15100
193: ok 15101
193: ok 15102
193: ok 15103
193: ok 15104
193: ok 15105
193: ok 15106
193: ok 15107
193: ok 15108
193: ok 15109
193: ok 15110
193: ok 15111
193: ok 15112
193: ok 15113
193: ok 15114
193: ok 15115
193: ok 15116
193: ok 15117
193: ok 15118
193: ok 15119
193: ok 15120
193: ok 15121
193: ok 15122
193: ok 15123
193: ok 15124
193: ok 15125
193: ok 15126
193: ok 15127
193: ok 15128
193: ok 15129
193: ok 15130
193: ok 15131
193: ok 15132
193: ok 15133
193: ok 15134
193: ok 15135
193: ok 15136
193: ok 15137
193: ok 15138
193: ok 15139
193: ok 15140
193: ok 15141
193: ok 15142
193: ok 15143
193: ok 15144
193: ok 15145
193: ok 15146
193: ok 15147
193: ok 15148
193: ok 15149
193: ok 15150
193: ok 15151
193: ok 15152
193: ok 15153
193: ok 15154
193: ok 15155
193: ok 15156
193: ok 15157
193: ok 15158
193: ok 15159
193: ok 15160
193: ok 15161
193: ok 15162
193: ok 15163
193: ok 15164
193: ok 15165
193: ok 15166
193: ok 15167
193: ok 15168
193: ok 15169
193: ok 15170
193: ok 15171
193: ok 15172
193: ok 15173
193: ok 15174
193: ok 15175
193: ok 15176
193: ok 15177
193: ok 15178
193: ok 15179
193: ok 15180
193: ok 15181
193: ok 15182
193: ok 15183
193: ok 15184
193: ok 15185
193: ok 15186
193: ok 15187
193: ok 15188
193: ok 15189
193: ok 15190
193: ok 15191
193: ok 15192
193: ok 15193
193: ok 15194
193: ok 15195
193: ok 15196
193: ok 15197
193: ok 15198
193: ok 15199
193: ok 15200
193: ok 15201
193: ok 15202
193: ok 15203
193: ok 15204
193: ok 15205
193: ok 15206
193: ok 15207
193: ok 15208
193: ok 15209
193: ok 15210
193: ok 15211
193: ok 15212
193: ok 15213
193: ok 15214
193: ok 15215
193: ok 15216
193: ok 15217
193: ok 15218
193: ok 15219
193: ok 15220
193: ok 15221
193: ok 15222
193: ok 15223
193: ok 15224
193: ok 15225
193: ok 15226
193: ok 15227
193: ok 15228
193: ok 15229
193: ok 15230
193: ok 15231
193: ok 15232
193: ok 15233
193: ok 15234
193: ok 15235
193: ok 15236
193: ok 15237
193: ok 15238
193: ok 15239
193: ok 15240
193: ok 15241
193: ok 15242
193: ok 15243
193: ok 15244
193: ok 15245
193: ok 15246
193: ok 15247
193: ok 15248
193: ok 15249
193: ok 15250
193: ok 15251
193: ok 15252
193: ok 15253
193: ok 15254
193: ok 15255
193: ok 15256
193: ok 15257
193: ok 15258
193: ok 15259
193: ok 15260
193: ok 15261
193: ok 15262
193: ok 15263
193: ok 15264
193: ok 15265
193: ok 15266
193: ok 15267
193: ok 15268
193: ok 15269
193: ok 15270
193: ok 15271
193: ok 15272
193: ok 15273
193: ok 15274
193: ok 15275
193: ok 15276
193: ok 15277
193: ok 15278
193: ok 15279
193: ok 15280
193: ok 15281
193: ok 15282
193: ok 15283
193: ok 15284
193: ok 15285
193: ok 15286
193: ok 15287
193: ok 15288
193: ok 15289
193: ok 15290
193: ok 15291
193: ok 15292
193: ok 15293
193: ok 15294
193: ok 15295
193: ok 15296
193: ok 15297
193: ok 15298
193: ok 15299
193: ok 15300
193: ok 15301
193: ok 15302
193: ok 15303
193: ok 15304
193: ok 15305
193: ok 15306
193: ok 15307
193: ok 15308
193: ok 15309
193: ok 15310
193: ok 15311
193: ok 15312
193: ok 15313
193: ok 15314
193: ok 15315
193: ok 15316
193: ok 15317
193: ok 15318
193: ok 15319
193: ok 15320
193: ok 15321
193: ok 15322
193: ok 15323
193: ok 15324
193: ok 15325
193: ok 15326
193: ok 15327
193: ok 15328
193: ok 15329
193: ok 15330
193: ok 15331
193: ok 15332
193: ok 15333
193: ok 15334
193: ok 15335
193: ok 15336
193: ok 15337
193: ok 15338
193: ok 15339
193: ok 15340
193: ok 15341
193: ok 15342
193: ok 15343
193: ok 15344
193: ok 15345
193: ok 15346
193: ok 15347
193: ok 15348
193: ok 15349
193: ok 15350
193: ok 15351
193: ok 15352
193: ok 15353
193: ok 15354
193: ok 15355
193: ok 15356
193: ok 15357
193: ok 15358
193: ok 15359
193: ok 15360
193: ok 15361
193: ok 15362
193: ok 15363
193: ok 15364
193: ok 15365
193: ok 15366
193: ok 15367
193: ok 15368
193: ok 15369
193: ok 15370
193: ok 15371
193: ok 15372
193: ok 15373
193: ok 15374
193: ok 15375
193: ok 15376
193: ok 15377
193: ok 15378
193: ok 15379
193: ok 15380
193: ok 15381
193: ok 15382
193: ok 15383
193: ok 15384
193: ok 15385
193: ok 15386
193: ok 15387
193: ok 15388
193: ok 15389
193: ok 15390
193: ok 15391
193: ok 15392
193: ok 15393
193: ok 15394
193: ok 15395
193: ok 15396
193: ok 15397
193: ok 15398
193: ok 15399
193: ok 15400
193: ok 15401
193: ok 15402
193: ok 15403
193: ok 15404
193: ok 15405
193: ok 15406
193: ok 15407
193: ok 15408
193: ok 15409
193: ok 15410
193: ok 15411
193: ok 15412
193: ok 15413
193: ok 15414
193: ok 15415
193: ok 15416
193: ok 15417
193: ok 15418
193: ok 15419
193: ok 15420
193: ok 15421
193: ok 15422
193: ok 15423
193: ok 15424
193: ok 15425
193: ok 15426
193: ok 15427
193: ok 15428
193: ok 15429
193: ok 15430
193: ok 15431
193: ok 15432
193: ok 15433
193: ok 15434
193: ok 15435
193: ok 15436
193: ok 15437
193: ok 15438
193: ok 15439
193: ok 15440
193: ok 15441
193: ok 15442
193: ok 15443
193: ok 15444
193: ok 15445
193: ok 15446
193: ok 15447
193: ok 15448
193: ok 15449
193: ok 15450
193: ok 15451
193: ok 15452
193: ok 15453
193: ok 15454
193: ok 15455
193: ok 15456
193: ok 15457
193: ok 15458
193: ok 15459
193: ok 15460
193: ok 15461
193: ok 15462
193: ok 15463
193: ok 15464
193: ok 15465
193: ok 15466
193: ok 15467
193: ok 15468
193: ok 15469
193: ok 15470
193: ok 15471
193: ok 15472
193: ok 15473
193: ok 15474
193: ok 15475
193: ok 15476
193: ok 15477
193: ok 15478
193: ok 15479
193: ok 15480
193: ok 15481
193: ok 15482
193: ok 15483
193: ok 15484
193: ok 15485
193: ok 15486
193: ok 15487
193: ok 15488
193: ok 15489
193: ok 15490
193: ok 15491
193: ok 15492
193: ok 15493
193: ok 15494
193: ok 15495
193: ok 15496
193: ok 15497
193: ok 15498
193: ok 15499
193: ok 15500
193: ok 15501
193: ok 15502
193: ok 15503
193: ok 15504
193: ok 15505
193: ok 15506
193: ok 15507
193: ok 15508
193: ok 15509
193: ok 15510
193: ok 15511
193: ok 15512
193: ok 15513
193: ok 15514
193: ok 15515
193: ok 15516
193: ok 15517
193: ok 15518
193: ok 15519
193: ok 15520
193: ok 15521
193: ok 15522
193: ok 15523
193: ok 15524
193: ok 15525
193: ok 15526
193: ok 15527
193: ok 15528
193: ok 15529
193: ok 15530
193: ok 15531
193: ok 15532
193: ok 15533
193: ok 15534
193: ok 15535
193: ok 15536
193: ok 15537
193: ok 15538
193: ok 15539
193: ok 15540
193: ok 15541
193: ok 15542
193: ok 15543
193: ok 15544
193: ok 15545
193: ok 15546
193: ok 15547
193: ok 15548
193: ok 15549
193: ok 15550
193: ok 15551
193: ok 15552
193: ok 15553
193: ok 15554
193: ok 15555
193: ok 15556
193: ok 15557
193: ok 15558
193: ok 15559
193: ok 15560
193: ok 15561
193: ok 15562
193: ok 15563
193: ok 15564
193: ok 15565
193: ok 15566
193: ok 15567
193: ok 15568
193: ok 15569
193: ok 15570
193: ok 15571
193: ok 15572
193: ok 15573
193: ok 15574
193: ok 15575
193: ok 15576
193: ok 15577
193: ok 15578
193: ok 15579
193: ok 15580
193: ok 15581
193: ok 15582
193: ok 15583
193: ok 15584
193: ok 15585
193: ok 15586
193: ok 15587
193: ok 15588
193: ok 15589
193: ok 15590
193: ok 15591
193: ok 15592
193: ok 15593
193: ok 15594
193: ok 15595
193: ok 15596
193: ok 15597
193: ok 15598
193: ok 15599
193: ok 15600
193: ok 15601
193: ok 15602
193: ok 15603
193: ok 15604
193: ok 15605
193: ok 15606
193: ok 15607
193: ok 15608
193: ok 15609
193: ok 15610
193: ok 15611
193: ok 15612
193: ok 15613
193: ok 15614
193: ok 15615
193: ok 15616
193: ok 15617
193: ok 15618
193: ok 15619
193: ok 15620
193: ok 15621
193: ok 15622
193: ok 15623
193: ok 15624
193: ok 15625
193: ok 15626
193: ok 15627
193: ok 15628
193: ok 15629
193: ok 15630
193: ok 15631
193: ok 15632
193: ok 15633
193: ok 15634
193: ok 15635
193: ok 15636
193: ok 15637
193: ok 15638
193: ok 15639
193: ok 15640
193: ok 15641
193: ok 15642
193: ok 15643
193: ok 15644
193: ok 15645
193: ok 15646
193: ok 15647
193: ok 15648
193: ok 15649
193: ok 15650
193: ok 15651
193: ok 15652
193: ok 15653
193: ok 15654
193: ok 15655
193: ok 15656
193: ok 15657
193: ok 15658
193: ok 15659
193: ok 15660
193: ok 15661
193: ok 15662
193: ok 15663
193: ok 15664
193: ok 15665
193: ok 15666
193: ok 15667
193: ok 15668
193: ok 15669
193: ok 15670
193: ok 15671
193: ok 15672
193: ok 15673
193: ok 15674
193: ok 15675
193: ok 15676
193: ok 15677
193: ok 15678
193: ok 15679
193: ok 15680
193: ok 15681
193: ok 15682
193: ok 15683
193: ok 15684
193: ok 15685
193: ok 15686
193: ok 15687
193: ok 15688
193: ok 15689
193: ok 15690
193: ok 15691
193: ok 15692
193: ok 15693
193: ok 15694
193: ok 15695
193: ok 15696
193: ok 15697
193: ok 15698
193: ok 15699
193: ok 15700
193: ok 15701
193: ok 15702
193: ok 15703
193: ok 15704
193: ok 15705
193: ok 15706
193: ok 15707
193: ok 15708
193: ok 15709
193: ok 15710
193: ok 15711
193: ok 15712
193: ok 15713
193: ok 15714
193: ok 15715
193: ok 15716
193: ok 15717
193: ok 15718
193: ok 15719
193: ok 15720
193: ok 15721
193: ok 15722
193: ok 15723
193: ok 15724
193: ok 15725
193: ok 15726
193: ok 15727
193: ok 15728
193: ok 15729
193: ok 15730
193: ok 15731
193: ok 15732
193: ok 15733
193: ok 15734
193: ok 15735
193: ok 15736
193: ok 15737
193: ok 15738
193: ok 15739
193: ok 15740
193: ok 15741
193: ok 15742
193: ok 15743
193: ok 15744
193: ok 15745
193: ok 15746
193: ok 15747
193: ok 15748
193: ok 15749
193: ok 15750
193: ok 15751
193: ok 15752
193: ok 15753
193: ok 15754
193: ok 15755
193: ok 15756
193: ok 15757
193: ok 15758
193: ok 15759
193: ok 15760
193: ok 15761
193: ok 15762
193: ok 15763
193: ok 15764
193: ok 15765
193: ok 15766
193: ok 15767
193: ok 15768
193: ok 15769
193: ok 15770
193: ok 15771
193: ok 15772
193: ok 15773
193: ok 15774
193: ok 15775
193: ok 15776
193: ok 15777
193: ok 15778
193: ok 15779
193: ok 15780
193: ok 15781
193: ok 15782
193: ok 15783
193: ok 15784
193: ok 15785
193: ok 15786
193: ok 15787
193: ok 15788
193: ok 15789
193: ok 15790
193: ok 15791
193: ok 15792
193: ok 15793
193: ok 15794
193: ok 15795
193: ok 15796
193: ok 15797
193: ok 15798
193: ok 15799
193: ok 15800
193: ok 15801
193: ok 15802
193: ok 15803
193: ok 15804
193: ok 15805
193: ok 15806
193: ok 15807
193: ok 15808
193: ok 15809
193: ok 15810
193: ok 15811
193: ok 15812
193: ok 15813
193: ok 15814
193: ok 15815
193: ok 15816
193: ok 15817
193: ok 15818
193: ok 15819
193: ok 15820
193: ok 15821
193: ok 15822
193: ok 15823
193: ok 15824
193: ok 15825
193: ok 15826
193: ok 15827
193: ok 15828
193: ok 15829
193: ok 15830
193: ok 15831
193: ok 15832
193: ok 15833
193: ok 15834
193: ok 15835
193: ok 15836
193: ok 15837
193: ok 15838
193: ok 15839
193: ok 15840
193: ok 15841
193: ok 15842
193: ok 15843
193: ok 15844
193: ok 15845
193: ok 15846
193: ok 15847
193: ok 15848
193: ok 15849
193: ok 15850
193: ok 15851
193: ok 15852
193: ok 15853
193: ok 15854
193: ok 15855
193: ok 15856
193: ok 15857
193: ok 15858
193: ok 15859
193: ok 15860
193: ok 15861
193: ok 15862
193: ok 15863
193: ok 15864
193: ok 15865
193: ok 15866
193: ok 15867
193: ok 15868
193: ok 15869
193: ok 15870
193: ok 15871
193: ok 15872
193: ok 15873
193: ok 15874
193: ok 15875
193: ok 15876
193: ok 15877
193: ok 15878
193: ok 15879
193: ok 15880
193: ok 15881
193: ok 15882
193: ok 15883
193: ok 15884
193: ok 15885
193: ok 15886
193: ok 15887
193: ok 15888
193: ok 15889
193: ok 15890
193: ok 15891
193: ok 15892
193: ok 15893
193: ok 15894
193: ok 15895
193: ok 15896
193: ok 15897
193: ok 15898
193: ok 15899
193: ok 15900
193: ok 15901
193: ok 15902
193: ok 15903
193: ok 15904
193: ok 15905
193: ok 15906
193: ok 15907
193: ok 15908
193: ok 15909
193: ok 15910
193: ok 15911
193: ok 15912
193: ok 15913
193: ok 15914
193: ok 15915
193: ok 15916
193: ok 15917
193: ok 15918
193: ok 15919
193: ok 15920
193: ok 15921
193: ok 15922
193: ok 15923
193: ok 15924
193: ok 15925
193: ok 15926
193: ok 15927
193: ok 15928
193: ok 15929
193: ok 15930
193: ok 15931
193: ok 15932
193: ok 15933
193: ok 15934
193: ok 15935
193: ok 15936
193: ok 15937
193: ok 15938
193: ok 15939
193: ok 15940
193: ok 15941
193: ok 15942
193: ok 15943
193: ok 15944
193: ok 15945
193: ok 15946
193: ok 15947
193: ok 15948
193: ok 15949
193: ok 15950
193: ok 15951
193: ok 15952
193: ok 15953
193: ok 15954
193: ok 15955
193: ok 15956
193: ok 15957
193: ok 15958
193: ok 15959
193: ok 15960
193: ok 15961
193: ok 15962
193: ok 15963
193: ok 15964
193: ok 15965
193: ok 15966
193: ok 15967
193: ok 15968
193: ok 15969
193: ok 15970
193: ok 15971
193: ok 15972
193: ok 15973
193: ok 15974
193: ok 15975
193: ok 15976
193: ok 15977
193: ok 15978
193: ok 15979
193: ok 15980
193: ok 15981
193: ok 15982
193: ok 15983
193: ok 15984
193: ok 15985
193: ok 15986
193: ok 15987
193: ok 15988
193: ok 15989
193: ok 15990
193: ok 15991
193: ok 15992
193: ok 15993
193: ok 15994
193: ok 15995
193: ok 15996
193: ok 15997
193: ok 15998
193: ok 15999
193: ok 16000
193: # math: passed testEigenvectors
193: 1..16000
193: # math: all tests are successful
194/223 Test #193: test_math_4 ......................   Passed    0.43 sec
test 196
        Start 196: test_pdbreadfile_2

196: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "pdbreadfile" "2"
196: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
196: Environment variables: 
196:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
196:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
196: Test timeout computed to be: 1500
195: # Unit tests for OBMol 
195: ok 1
195: ok 2!
195: ok 3!
195: ok 4!
195: ok 5!
195: ok 6!
195: ok 7!
195: ok 8!
195: 1..6
195/223 Test #195: test_pdbreadfile_1 ...............   Passed    0.15 sec
test 197
        Start 197: test_pdbreadfile_3

197: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "pdbreadfile" "3"
197: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
197: Environment variables: 
197:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
197:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
197: Test timeout computed to be: 1500
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 1)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 2)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 3)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 4)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 5)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 6)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 7)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 8)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 9)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 10)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 11)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 12)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 13)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 14)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 15)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 16)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 17)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 18)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 19)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 20)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 21)
196: ==============================
196: *** Open Babel Warning  in parseAtomRecord
196:   WARNING: Problems reading a PDB file
196:   Problems reading a HETATM or ATOM record.
196:   According to the PDB specification,
196:   columns 77-78 should contain the element symbol of an atom.
196:   but OpenBabel found '  ' (atom 22)
196: # Unit tests for OBMol 
196: ok 1
196: ok 2!
196: ok 3!
196: ok 4!
196: ok 5!
196: ok 6!
196: ok 7!
196: ok 8!
196: 1..6
196/223 Test #196: test_pdbreadfile_2 ...............   Passed    0.08 sec
test 198
        Start 198: test_pdbreadfile_4

198: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "pdbreadfile" "4"
198: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
198: Environment variables: 
198:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
198:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
198: Test timeout computed to be: 1500
197: # Unit tests for OBMol 
197: ok 1
197: ok 2!
197: ok 3!
197: ok 4!
197: ok 5!
197: ok 6!
197: ok 7!
197: ok 8!
197: 1..6
197/223 Test #197: test_pdbreadfile_3 ...............   Passed    0.08 sec
test 199
        Start 199: test_phmodel_1

199: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "phmodel" "1"
199: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
199: Environment variables: 
199:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
199:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
199: Test timeout computed to be: 1500
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 1)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 2)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 3)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 4)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 5)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 6)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 7)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 8)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 9)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 10)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 11)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 12)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 13)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 14)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 15)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 16)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 17)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 18)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 19)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 20)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 21)
198: ==============================
198: *** Open Babel Warning  in parseAtomRecord
198:   WARNING: Problems reading a PDB file
198:   Problems reading a HETATM or ATOM record.
198:   According to the PDB specification,
198:   columns 77-78 should contain the element symbol of an atom.
198:   but OpenBabel found '  ' (atom 22)
198: # Unit tests for OBMol 
198: ok 1
198: ok 2!
198: ok 3!
198: ok 4!
198: ok 5!
198: ok 6!
198: ok 7!
198: ok 8!
198: 1..6
198/223 Test #198: test_pdbreadfile_4 ...............   Passed    0.07 sec
test 200
        Start 200: test_residue_1

200: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "residue" "1"
200: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
200: Environment variables: 
200:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
200:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
200: Test timeout computed to be: 1500
199: # Asp
199: #pH = 1.0 : [NH3+]C(CC(=O)O)C(=O)O	
199: ok 1
199: #pH = 3.9 : [NH3+]C(CC(=O)[O-])C(=O)O	
199: ok 2
199: #pH = 7.4 : [NH3+]C(CC(=O)[O-])C(=O)[O-]	
199: ok 3
199: #pH = 13.0 : NC(CC(=O)[O-])C(=O)[O-]	
199: ok 4
199: # Glu
199: #pH = 1.0 : [NH3+]C(CCC(=O)O)C(=O)O	
199: ok 5
199: #pH = 4.15 : [NH3+]C(CCC(=O)[O-])C(=O)[O-]	
199: #pH = 7.4 : [NH3+]C(CCC(=O)[O-])C(=O)[O-]	
199: ok 6
199: #pH = 13.0 : NC(CCC(=O)[O-])C(=O)[O-]	
199: ok 7
199: # His
199: #pH = 1.0 : [NH3+]C(Cc1[nH+]c[nH]c1)C(=O)O	
199: ok 8
199: #pH = 5.0 : [NH3+]C(Cc1[nH+]c[nH]c1)C(=O)[O-]	
199: ok 9
199: #pH = 7.4 : [NH3+]C(Cc1nc[nH]c1)C(=O)[O-]	
199: ok 10
199: #pH = 13.0 : NC(Cc1nc[nH]c1)C(=O)[O-]	
199: ok 11
199: # Lys
199: #pH = 1.0 : [NH3+]C(CCCC[NH3+])C(=O)O	
199: ok 12
199: #pH = 7.4 : [NH3+]C(CCCC[NH3+])C(=O)[O-]	
199: ok 13
199: #pH = 9.0 : [NH3+]C(CCCC[NH3+])C(=O)[O-]	
199: #pH = 13.0 : NC(CCCCN)C(=O)[O-]	
199: ok 14
199: # Tyr
199: #pH = 1.0 : [NH3+]C(Cc1ccc(O)cc1)C(=O)O	
199: ok 15
199: #pH = 7.4 : [NH3+]C(Cc1ccc(O)cc1)C(=O)[O-]	
199: ok 16
199: #pH = 10.05 : NC(Cc1ccc(O)cc1)C(=O)[O-]	
199: ok 17
199: #pH = 13.0 : NC(Cc1ccc([O-])cc1)C(=O)[O-]	
199: ok 18
199: # Arg
199: #pH = 1.0 : [NH3+]C(CCCNC(=[NH2+])N)C(=O)O	
199: ok 19
199: #pH = 7.4 : [NH3+]C(CCCNC(=[NH2+])N)C(=O)[O-]	
199: ok 20
199: #pH = 11.0 : NC(CCCNC(=[NH2+])N)C(=O)[O-]	
199: ok 21
199: #pH = 13.0 : NC(CCCNC(=N)N)C(=O)[O-]	
199: ok 22
199: # Gly-Gly
199: #pH = 1.0 : [NH3+]CC(=O)NCC(=O)O	
199: ok 23
199: #pH = 7.4 : [NH3+]CC(=O)NCC(=O)[O-]	
199: ok 24
199: #pH = 13.0 : NCC(=O)NCC(=O)[O-]	
199: ok 25
199: 1..25
199/223 Test #199: test_phmodel_1 ...................   Passed    0.07 sec
test 201
        Start 201: test_ringtest_1

201: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "ringtest" "1"
201: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
201: Environment variables: 
201:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
201:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
201: Test timeout computed to be: 1500
201: # Testing ring perception...
200: # Unit tests for OBResidue 
200: ok 1
200: ok 2
200: ok 3
200: ok 4 # ALA
200: ok 5 # ARG
200: ok 6 # ASN
200: ok 7 # ASP
200: ok 8 # CYS
200: ok 9 # GLU
200: ok 10 # GLN
200: ok 11 # GLY
200: ok 12 # HIS
200: ok 13 # ILE
200: ok 14 # LEU
200: ok 15 # LYS
201: ok 1 # correct ring bond data
201: ok 2 # correct ring bond data
201: ok 3 # correct ring bond data
201: ok 4 # correct ring bond data
201: ok 5 # correct ring bond data
201: ok 6 # correct ring bond data
201: ok 7 # correct ring bond data
201: ok 8 # correct ring bond data
201: ok 9 # correct ring bond data
201: ok 10 # correct ring bond data
201: ok 11 # correct ring bond data
201: ok 12 # correct ring bond data
201: ok 13 # correct ring bond data
201: ok 14 # SSSR size matches reference
201: ok 15 # correct SSSR count
201: ok 16 # ring membership passed
201: ok 17 # correct SSSR count
201: ok 18 # ring membership passed
201: ok 19 # correct SSSR count
201: ok 20 # ring membership passed
201: ok 21 # correct SSSR count
201: ok 22 # ring membership passed
201: ok 23 # correct SSSR count
201: ok 24 # ring membership passed
201: ok 25 # correct SSSR count
201: ok 26 # ring membership passed
201: ok 27 # correct SSSR count
201: ok 28 # ring membership passed
201: ok 29 # correct SSSR count
201: ok 30 # ring membership passed
201: ok 31 # correct SSSR count
201: ok 32 # ring membership passed
201: ok 33 # correct SSSR count
201: ok 34 # ring membership passed
201: ok 35 # correct SSSR count
201: ok 36 # ring membership passed
201: ok 37 # correct SSSR count
201: ok 38 # ring membership passed
201: ok 39 # correct ring bond data
201: ok 40 # correct ring bond data
201: ok 41 # correct ring bond data
201: ok 42 # correct ring bond data
201: ok 43 # correct ring bond data
201: ok 44 # correct ring bond data
201: ok 45 # correct ring bond data
201: ok 46 # correct ring bond data
201: ok 47 # correct ring bond data
201: ok 48 # correct ring bond data
201: ok 49 # correct ring bond data
201: ok 50 # correct ring bond data
201: ok 51 # correct ring bond data
201: ok 52 # correct ring bond data
201: ok 53 # correct ring bond data
201: ok 54 # SSSR size matches reference
201: ok 55 # correct SSSR count
201: ok 56 # ring membership passed
201: ok 57 # correct SSSR count
201: ok 58 # ring membership passed
201: ok 59 # correct SSSR count
201: ok 60 # ring membership passed
201: ok 61 # correct SSSR count
201: ok 62 # ring membership passed
201: ok 63 # correct SSSR count
201: ok 64 # ring membership passed
201: ok 65 # correct SSSR count
201: ok 66 # ring membership passed
201: ok 67 # correct SSSR count
201: ok 68 # ring membership passed
201: ok 69 # correct SSSR count
201: ok 70 # ring membership passed
201: ok 71 # correct SSSR count
201: ok 72 # ring membership passed
201: ok 73 # correct SSSR count
201: ok 74 # ring membership passed
201: ok 75 # correct SSSR count
201: ok 76 # ring membership passed
201: ok 77 # correct SSSR count
201: ok 78 # ring membership passed
201: ok 79 # correct SSSR count
201: ok 80 # ring membership passed
201: ok 81 # correct SSSR count
201: ok 82 # ring membership passed
201: ok 83 # correct ring bond data
201: ok 84 # correct ring bond data
201: ok 85 # correct ring bond data
201: ok 86 # correct ring bond data
201: ok 87 # correct ring bond data
201: ok 88 # correct ring bond data
201: ok 89 # correct ring bond data
201: ok 90 # correct ring bond data
201: ok 91 # correct ring bond data
201: ok 92 # correct ring bond data
201: ok 93 # SSSR size matches reference
201: ok 94 # correct SSSR count
201: ok 95 # ring membership passed
201: ok 96 # correct SSSR count
201: ok 97 # ring membership passed
201: ok 98 # correct SSSR count
201: ok 99 # ring membership passed
201: ok 100 # correct SSSR count
201: ok 101 # ring membership passed
201: ok 102 # correct SSSR count
201: ok 103 # ring membership passed
201: ok 104 # correct SSSR count
201: ok 105 # ring membership passed
201: ok 106 # correct SSSR count
201: ok 107 # ring membership passed
201: ok 108 # correct SSSR count
201: ok 109 # ring membership passed
201: ok 110 # correct SSSR count
201: ok 111 # ring membership passed
201: ok 112 # correct SSSR count
201: ok 113 # ring membership passed
201: ok 114 # correct ring bond data
201: ok 115 # correct ring bond data
201: ok 116 # correct ring bond data
201: ok 117 # correct ring bond data
201: ok 118 # correct ring bond data
201: ok 119 # correct ring bond data
201: ok 120 # correct ring bond data
201: ok 121 # correct ring bond data
201: ok 122 # correct ring bond data
201: ok 123 # correct ring bond data
201: ok 124 # correct ring bond data
201: ok 125 # correct ring bond data
201: ok 126 # correct ring bond data
201: ok 127 # correct ring bond data
201: ok 128 # correct ring bond data
201: ok 129 # correct ring bond data
201: ok 130 # correct ring bond data
201: ok 131 # correct ring bond data
201: ok 132 # correct ring bond data
201: ok 133 # correct ring bond data
201: ok 134 # correct ring bond data
201: ok 135 # correct ring bond data
201: ok 136 # correct ring bond data
201: ok 137 # correct ring bond data
201: ok 138 # SSSR size matches reference
201: ok 139 # correct SSSR count
201: ok 140 # ring membership passed
201: ok 141 # correct SSSR count
201: ok 142 # ring membership passed
201: ok 143 # correct SSSR count
201: ok 144 # ring membership passed
201: ok 145 # correct SSSR count
201: ok 146 # ring membership passed
201: ok 147 # correct SSSR count
201: ok 148 # ring membership passed
201: ok 149 # correct SSSR count
201: ok 150 # ring membership passed
201: ok 151 # correct SSSR count
201: ok 152 # ring membership passed
201: ok 153 # correct SSSR count
201: ok 154 # ring membership passed
201: ok 155 # correct SSSR count
201: ok 156 # ring membership passed
201: ok 157 # correct SSSR count
201: ok 158 # ring membership passed
201: ok 159 # correct SSSR count
201: ok 160 # ring membership passed
201: ok 161 # correct SSSR count
201: ok 162 # ring membership passed
201: ok 163 # correct SSSR count
201: ok 164 # ring membership passed
201: ok 165 # correct SSSR count
201: ok 166 # ring membership passed
201: ok 167 # correct SSSR count
201: ok 168 # ring membership passed
201: ok 169 # correct SSSR count
201: ok 170 # ring membership passed
201: ok 171 # correct SSSR count
201: ok 172 # ring membership passed
201: ok 173 # correct SSSR count
201: ok 174 # ring membership passed
201: ok 175 # correct SSSR count
201: ok 176 # ring membership passed
201: ok 177 # correct SSSR count
201: ok 178 # ring membership passed
201: ok 179 # correct SSSR count
201: ok 180 # ring membership passed
201: ok 181 # correct SSSR count
201: ok 182 # ring membership passed
201: ok 183 # correct ring bond data
201: ok 184 # correct ring bond data
201: ok 185 # correct ring bond data
201: ok 186 # correct ring bond data
201: ok 187 # correct ring bond data
201: ok 188 # correct ring bond data
201: ok 189 # correct ring bond data
201: ok 190 # correct ring bond data
201: ok 191 # correct ring bond data
201: ok 192 # correct ring bond data
201: ok 193 # correct ring bond data
201: ok 194 # correct ring bond data
201: ok 195 # correct ring bond data
201: ok 196 # correct ring bond data
201: ok 197 # correct ring bond data
201: ok 198 # correct ring bond data
201: ok 199 # correct ring bond data
201: ok 200 # correct ring bond data
201: ok 201 # correct ring bond data
201: ok 202 # correct ring bond data
201: ok 203 # correct ring bond data
201: ok 204 # correct ring bond data
201: ok 205 # correct ring bond data
201: ok 206 # correct ring bond data
201: ok 207 # SSSR size matches reference
201: ok 208 # correct SSSR count
201: ok 209 # ring membership passed
201: ok 210 # correct SSSR count
201: ok 211 # ring membership passed
201: ok 212 # correct SSSR count
201: ok 213 # ring membership passed
201: ok 214 # correct SSSR count
201: ok 215 # ring membership passed
201: ok 216 # correct SSSR count
201: ok 217 # ring membership passed
201: ok 218 # correct SSSR count
201: ok 219 # ring membership passed
201: ok 220 # correct SSSR count
201: ok 221 # ring membership passed
201: ok 222 # correct SSSR count
201: ok 223 # ring membership passed
201: ok 224 # correct SSSR count
201: ok 225 # ring membership passed
201: ok 226 # correct SSSR count
201: ok 227 # ring membership passed
201: ok 228 # correct SSSR count
201: ok 229 # ring membership passed
201: ok 230 # correct SSSR count
201: ok 231 # ring membership passed
201: ok 232 # correct SSSR count
201: ok 233 # ring membership passed
201: ok 234 # correct SSSR count
201: ok 235 # ring membership passed
201: ok 236 # correct SSSR count
201: ok 237 # ring membership passed
201: ok 238 # correct SSSR count
201: ok 239 # ring membership passed
201: ok 240 # correct SSSR count
201: ok 241 # ring membership passed
201: ok 242 # correct SSSR count
201: ok 243 # ring membership passed
201: ok 244 # correct SSSR count
201: ok 245 # ring membership passed
201: ok 246 # correct SSSR count
201: ok 247 # ring membership passed
201: ok 248 # correct SSSR count
201: ok 249 # ring membership passed
201: ok 250 # correct SSSR count
201: ok 251 # ring membership passed
201: ok 252 # correct ring bond data
201: ok 253 # correct ring bond data
201: ok 254 # correct ring bond data
201: ok 255 # correct ring bond data
201: ok 256 # correct ring bond data
201: ok 257 # correct ring bond data
201: ok 258 # correct ring bond data
201: ok 259 # correct ring bond data
201: ok 260 # correct ring bond data
201: ok 261 # correct ring bond data
201: ok 262 # correct ring bond data
201: ok 263 # correct ring bond data
201: ok 264 # correct ring bond data
201: ok 265 # correct ring bond data
201: ok 266 # correct ring bond data
201: ok 267 # correct ring bond data
201: ok 268 # correct ring bond data
201: ok 269 # correct ring bond data
201: ok 270 # correct ring bond data
201: ok 271 # correct ring bond data
201: ok 272 # correct ring bond data
201: ok 273 # correct ring bond data
201: ok 274 # correct ring bond data
201: ok 275 # correct ring bond data
201: ok 276 # correct ring bond data
201: ok 277 # SSSR size matches reference
201: ok 278 # correct SSSR count
201: ok 279 # ring membership passed
201: ok 280 # correct SSSR count
201: ok 281 # ring membership passed
201: ok 282 # correct SSSR count
201: ok 283 # ring membership passed
201: ok 284 # correct SSSR count
201: ok 285 # ring membership passed
201: ok 286 # correct SSSR count
201: ok 287 # ring membership passed
201: ok 288 # correct SSSR count
201: ok 289 # ring membership passed
201: ok 290 # correct SSSR count
201: ok 291 # ring membership passed
201: ok 292 # correct SSSR count
201: ok 293 # ring membership passed
201: ok 294 # correct SSSR count
201: ok 295 # ring membership passed
201: ok 296 # correct SSSR count
201: ok 297 # ring membership passed
201: ok 298 # correct SSSR count
201: ok 299 # ring membership passed
201: ok 300 # correct SSSR count
201: ok 301 # ring membership passed
201: ok 302 # correct SSSR count
201: ok 303 # ring membership passed
201: ok 304 # correct SSSR count
201: ok 305 # ring membership passed
201: ok 306 # correct SSSR count
201: ok 307 # ring membership passed
201: ok 308 # correct SSSR count
201: ok 309 # ring membership passed
201: ok 310 # correct SSSR count
201: ok 311 # ring membership passed
201: ok 312 # correct SSSR count
201: ok 313 # ring membership passed
201: ok 314 # correct SSSR count
201: ok 315 # ring membership passed
201: ok 316 # correct SSSR count
201: ok 317 # ring membership passed
201: ok 318 # correct SSSR count
201: ok 319 # ring membership passed
201: ok 320 # correct SSSR count
201: ok 321 # ring membership passed
201: ok 322 # correct SSSR count
201: ok 323 # ring membership passed
201: ok 324 # correct ring bond data
201: ok 325 # correct ring bond data
201: ok 326 # correct ring bond data
201: ok 327 # correct ring bond data
201: ok 328 # correct ring bond data
201: ok 329 # correct ring bond data
201: ok 330 # correct ring bond data
201: ok 331 # SSSR size matches reference
201: ok 332 # correct SSSR count
201: ok 333 # ring membership passed
201: ok 334 # correct SSSR count
201: ok 335 # ring membership passed
201: ok 336 # correct SSSR count
201: ok 337 # ring membership passed
201: ok 338 # correct SSSR count
201: ok 339 # ring membership passed
201: ok 340 # correct SSSR count
201: ok 341 # ring membership passed
201: ok 342 # correct SSSR count
201: ok 343 # ring membership passed
201: ok 344 # correct SSSR count
201: ok 345 # ring membership passed
201: ok 346 # correct SSSR count
201: ok 347 # ring membership passed
201: ok 348 # correct ring bond data
201: ok 349 # correct ring bond data
201: ok 350 # correct ring bond data
201: ok 351 # correct ring bond data
201: ok 352 # correct ring bond data
201: ok 353 # correct ring bond data
201: ok 354 # correct ring bond data
201: ok 355 # correct ring bond data
201: ok 356 # correct ring bond data
201: ok 357 # correct ring bond data
201: ok 358 # correct ring bond data
201: ok 359 # correct ring bond data
201: ok 360 # correct ring bond data
201: ok 361 # correct ring bond data
201: ok 362 # correct ring bond data
201: ok 363 # correct ring bond data
201: ok 364 # correct ring bond data
201: ok 365 # correct ring bond data
201: ok 366 # correct ring bond data
201: ok 367 # correct ring bond data
201: ok 368 # correct ring bond data
201: ok 369 # correct ring bond data
201: ok 370 # correct ring bond data
201: ok 371 # SSSR size matches reference
201: ok 372 # correct SSSR count
201: ok 373 # ring membership passed
201: ok 374 # correct SSSR count
201: ok 375 # ring membership passed
201: ok 376 # correct SSSR count
201: ok 377 # ring membership passed
201: ok 378 # correct SSSR count
201: ok 379 # ring membership passed
201: ok 380 # correct SSSR count
201: ok 381 # ring membership passed
201: ok 382 # correct SSSR count
201: ok 383 # ring membership passed
201: ok 384 # correct SSSR count
201: ok 385 # ring membership passed
201: ok 386 # correct SSSR count
201: ok 387 # ring membership passed
201: ok 388 # correct SSSR count
201: ok 389 # ring membership passed
201: ok 390 # correct SSSR count
201: ok 391 # ring membership passed
201: ok 392 # correct SSSR count
201: ok 393 # ring membership passed
201: ok 394 # correct SSSR count
201: ok 395 # ring membership passed
201: ok 396 # correct SSSR count
201: ok 397 # ring membership passed
201: ok 398 # correct SSSR count
201: ok 399 # ring membership passed
201: ok 400 # correct SSSR count
201: ok 401 # ring membership passed
201: ok 402 # correct SSSR count
201: ok 403 # ring membership passed
201: ok 404 # correct SSSR count
201: ok 405 # ring membership passed
201: ok 406 # correct SSSR count
201: ok 407 # ring membership passed
201: ok 408 # correct SSSR count
201: ok 409 # ring membership passed
201: ok 410 # correct SSSR count
201: ok 411 # ring membership passed
201: ok 412 # correct SSSR count
201: ok 413 # ring membership passed
201: ok 414 # correct ring bond data
201: ok 415 # correct ring bond data
201: ok 416 # correct ring bond data
201: ok 417 # correct ring bond data
201: ok 418 # correct ring bond data
201: ok 419 # correct ring bond data
201: ok 420 # correct ring bond data
201: ok 421 # correct ring bond data
201: ok 422 # correct ring bond data
201: ok 423 # correct ring bond data
201: ok 424 # SSSR size matches reference
201: ok 425 # correct SSSR count
201: ok 426 # ring membership passed
201: ok 427 # correct SSSR count
201: ok 428 # ring membership passed
201: ok 429 # correct SSSR count
201: ok 430 # ring membership passed
201: ok 431 # correct SSSR count
201: ok 432 # ring membership passed
201: ok 433 # correct SSSR count
201: ok 434 # ring membership passed
201: ok 435 # correct SSSR count
201: ok 436 # ring membership passed
201: ok 437 # correct SSSR count
201: ok 438 # ring membership passed
201: ok 439 # correct SSSR count
201: ok 440 # ring membership passed
201: ok 441 # correct SSSR count
201: ok 442 # ring membership passed
201: ok 443 # correct SSSR count
201: ok 444 # ring membership passed
201: ok 445 # correct ring bond data
201: ok 446 # correct ring bond data
201: ok 447 # correct ring bond data
201: ok 448 # correct ring bond data
201: ok 449 # correct ring bond data
201: ok 450 # correct ring bond data
201: ok 451 # correct ring bond data
201: ok 452 # correct ring bond data
201: ok 453 # correct ring bond data
201: ok 454 # correct ring bond data
201: ok 455 # correct ring bond data
201: ok 456 # correct ring bond data
201: ok 457 # correct ring bond data
201: ok 458 # correct ring bond data
201: ok 459 # SSSR size matches reference
201: ok 460 # correct SSSR count
201: ok 461 # ring membership passed
201: ok 462 # correct SSSR count
201: ok 463 # ring membership passed
201: ok 464 # correct SSSR count
201: ok 465 # ring membership passed
201: ok 466 # correct SSSR count
201: ok 467 # ring membership passed
201: ok 468 # correct SSSR count
201: ok 469 # ring membership passed
201: ok 470 # correct SSSR count
201: ok 471 # ring membership passed
201: ok 472 # correct SSSR count
201: ok 473 # ring membership passed
201: ok 474 # correct SSSR count
201: ok 475 # ring membership passed
201: ok 476 # correct SSSR count
201: ok 477 # ring membership passed
201: ok 478 # correct SSSR count
201: ok 479 # ring membership passed
201: ok 480 # correct SSSR count
201: ok 481 # ring membership passed
201: ok 482 # correct SSSR count
201: ok 483 # ring membership passed
201: ok 484 # correct SSSR count
201: ok 485 # ring membership passed
201: ok 486 # correct ring bond data
201: ok 487 # correct ring bond data
201: ok 488 # correct ring bond data
201: ok 489 # correct ring bond data
201: ok 490 # correct ring bond data
201: ok 491 # correct ring bond data
201: ok 492 # correct ring bond data
201: ok 493 # correct ring bond data
201: ok 494 # correct ring bond data
201: ok 495 # correct ring bond data
201: ok 496 # correct ring bond data
201: ok 497 # correct ring bond data
201: ok 498 # correct ring bond data
201: ok 499 # correct ring bond data
201: ok 500 # correct ring bond data
201: ok 501 # correct ring bond data
201: ok 502 # SSSR size matches reference
201: ok 503 # correct SSSR count
201: ok 504 # ring membership passed
201: ok 505 # correct SSSR count
201: ok 506 # ring membership passed
201: ok 507 # correct SSSR count
201: ok 508 # ring membership passed
201: ok 509 # correct SSSR count
201: ok 510 # ring membership passed
201: ok 511 # correct SSSR count
201: ok 512 # ring membership passed
201: ok 513 # correct SSSR count
201: ok 514 # ring membership passed
201: ok 515 # correct SSSR count
201: ok 516 # ring membership passed
201: ok 517 # correct SSSR count
201: ok 518 # ring membership passed
201: ok 519 # correct SSSR count
201: ok 520 # ring membership passed
201: ok 521 # correct SSSR count
201: ok 522 # ring membership passed
201: ok 523 # correct SSSR count
201: ok 524 # ring membership passed
201: ok 525 # correct SSSR count
201: ok 526 # ring membership passed
201: ok 527 # correct SSSR count
201: ok 528 # ring membership passed
201: ok 529 # correct SSSR count
201: ok 530 # ring membership passed
201: ok 531 # correct SSSR count
201: ok 532 # ring membership passed
201: ok 533 # correct ring bond data
201: ok 534 # correct ring bond data
201: ok 535 # correct ring bond data
201: ok 536 # correct ring bond data
201: ok 537 # correct ring bond data
201: ok 538 # correct ring bond data
201: ok 539 # correct ring bond data
201: ok 540 # correct ring bond data
201: ok 541 # correct ring bond data
201: ok 542 # correct ring bond data
201: ok 543 # correct ring bond data
201: ok 544 # correct ring bond data
201: ok 545 # correct ring bond data
201: ok 546 # correct ring bond data
201: ok 547 # correct ring bond data
201: ok 548 # SSSR size matches reference
201: ok 549 # correct SSSR count
201: ok 550 # ring membership passed
201: ok 551 # correct SSSR count
201: ok 552 # ring membership passed
201: ok 553 # correct SSSR count
201: ok 554 # ring membership passed
201: ok 555 # correct SSSR count
201: ok 556 # ring membership passed
201: ok 557 # correct SSSR count
201: ok 558 # ring membership passed
201: ok 559 # correct SSSR count
201: ok 560 # ring membership passed
201: ok 561 # correct SSSR count
201: ok 562 # ring membership passed
201: ok 563 # correct SSSR count
201: ok 564 # ring membership passed
201: ok 565 # correct SSSR count
201: ok 566 # ring membership passed
201: ok 567 # correct SSSR count
201: ok 568 # ring membership passed
201: ok 569 # correct SSSR count
201: ok 570 # ring membership passed
201: ok 571 # correct SSSR count
201: ok 572 # ring membership passed
201: ok 573 # correct SSSR count
201: ok 574 # ring membership passed
201: ok 575 # correct SSSR count
201: ok 576 # ring membership passed
201: ok 577 # correct ring bond data
201: ok 578 # correct ring bond data
201: ok 579 # correct ring bond data
201: ok 580 # correct ring bond data
201: ok 581 # correct ring bond data
201: ok 582 # correct ring bond data
201: ok 583 # correct ring bond data
201: ok 584 # correct ring bond data
201: ok 585 # correct ring bond data
201: ok 586 # correct ring bond data
201: ok 587 # correct ring bond data
201: ok 588 # correct ring bond data
201: ok 589 # correct ring bond data
201: ok 590 # correct ring bond data
201: ok 591 # correct ring bond data
201: ok 592 # correct ring bond data
201: ok 593 # SSSR size matches reference
201: ok 594 # correct SSSR count
201: ok 595 # ring membership passed
201: ok 596 # correct SSSR count
201: ok 597 # ring membership passed
201: ok 598 # correct SSSR count
201: ok 599 # ring membership passed
201: ok 600 # correct SSSR count
201: ok 601 # ring membership passed
201: ok 602 # correct SSSR count
201: ok 603 # ring membership passed
201: ok 604 # correct SSSR count
201: ok 605 # ring membership passed
201: ok 606 # correct SSSR count
201: ok 607 # ring membership passed
201: ok 608 # correct SSSR count
201: ok 609 # ring membership passed
201: ok 610 # correct SSSR count
201: ok 611 # ring membership passed
201: ok 612 # correct SSSR count
201: ok 613 # ring membership passed
201: ok 614 # correct SSSR count
201: ok 615 # ring membership passed
201: ok 616 # correct SSSR count
201: ok 617 # ring membership passed
201: ok 618 # correct SSSR count
201: ok 619 # ring membership passed
201: ok 620 # correct SSSR count
201: ok 621 # ring membership passed
201: ok 622 # correct SSSR count
201: ok 623 # ring membership passed
201: ok 624 # correct ring bond data
201: ok 625 # correct ring bond data
201: ok 626 # correct ring bond data
201: ok 627 # correct ring bond data
201: ok 628 # correct ring bond data
201: ok 629 # correct ring bond data
201: ok 630 # correct ring bond data
201: ok 631 # correct ring bond data
201: ok 632 # correct ring bond data
201: ok 633 # correct ring bond data
201: ok 634 # correct ring bond data
201: ok 635 # correct ring bond data
201: ok 636 # correct ring bond data
201: ok 637 # correct ring bond data
201: ok 638 # correct ring bond data
201: ok 639 # correct ring bond data
201: ok 640 # correct ring bond data
201: ok 641 # SSSR size matches reference
201: ok 642 # correct SSSR count
201: ok 643 # ring membership passed
201: ok 644 # correct SSSR count
201: ok 645 # ring membership passed
201: ok 646 # correct SSSR count
201: ok 647 # ring membership passed
201: ok 648 # correct SSSR count
201: ok 649 # ring membership passed
201: ok 650 # correct SSSR count
201: ok 651 # ring membership passed
201: ok 652 # correct SSSR count
201: ok 653 # ring membership passed
201: ok 654 # correct SSSR count
201: ok 655 # ring membership passed
201: ok 656 # correct SSSR count
201: ok 657 # ring membership passed
201: ok 658 # correct SSSR count
201: ok 659 # ring membership passed
201: ok 660 # correct SSSR count
201: ok 661 # ring membership passed
201: ok 662 # correct SSSR count
201: ok 663 # ring membership passed
201: ok 664 # correct SSSR count
201: ok 665 # ring membership passed
201: ok 666 # correct SSSR count
201: ok 667 # ring membership passed
201: ok 668 # correct SSSR count
201: ok 669 # ring membership passed
201: ok 670 # correct SSSR count
201: ok 671 # ring membership passed
201: ok 672 # correct SSSR count
201: ok 673 # ring membership passed
201: ok 674 # correct ring bond data
201: ok 675 # correct ring bond data
201: ok 676 # correct ring bond data
201: ok 677 # correct ring bond data
201: ok 678 # correct ring bond data
201: ok 679 # correct ring bond data
201: ok 680 # correct ring bond data
201: ok 681 # correct ring bond data
201: ok 682 # correct ring bond data
201: ok 683 # correct ring bond data
201: ok 684 # correct ring bond data
201: ok 685 # correct ring bond data
201: ok 686 # correct ring bond data
201: ok 687 # correct ring bond data
201: ok 688 # correct ring bond data
201: ok 689 # correct ring bond data
201: ok 690 # correct ring bond data
201: ok 691 # correct ring bond data
201: ok 692 # correct ring bond data
201: ok 693 # SSSR size matches reference
201: ok 694 # correct SSSR count
201: ok 695 # ring membership passed
201: ok 696 # correct SSSR count
201: ok 697 # ring membership passed
201: ok 698 # correct SSSR count
201: ok 699 # ring membership passed
201: ok 700 # correct SSSR count
201: ok 701 # ring membership passed
201: ok 702 # correct SSSR count
201: ok 703 # ring membership passed
201: ok 704 # correct SSSR count
201: ok 705 # ring membership passed
201: ok 706 # correct SSSR count
201: ok 707 # ring membership passed
201: ok 708 # correct SSSR count
201: ok 709 # ring membership passed
201: ok 710 # correct SSSR count
201: ok 711 # ring membership passed
201: ok 712 # correct SSSR count
201: ok 713 # ring membership passed
201: ok 714 # correct SSSR count
201: ok 715 # ring membership passed
201: ok 716 # correct SSSR count
201: ok 717 # ring membership passed
201: ok 718 # correct SSSR count
201: ok 719 # ring membership passed
201: ok 720 # correct SSSR count
201: ok 721 # ring membership passed
201: ok 722 # correct SSSR count
201: ok 723 # ring membership passed
201: ok 724 # correct SSSR count
201: ok 725 # ring membership passed
201: ok 726 # correct SSSR count
201: ok 727 # ring membership passed
201: ok 728 # correct SSSR count
201: ok 729 # ring membership passed
201: ok 730 # correct ring bond data
201: ok 731 # correct ring bond data
201: ok 732 # correct ring bond data
201: ok 733 # correct ring bond data
201: ok 734 # correct ring bond data
201: ok 735 # correct ring bond data
201: ok 736 # correct ring bond data
201: ok 737 # correct ring bond data
201: ok 738 # correct ring bond data
201: ok 739 # correct ring bond data
201: ok 740 # correct ring bond data
201: ok 741 # correct ring bond data
201: ok 742 # correct ring bond data
201: ok 743 # correct ring bond data
201: ok 744 # correct ring bond data
201: ok 745 # correct ring bond data
201: ok 746 # SSSR size matches reference
201: ok 747 # correct SSSR count
201: ok 748 # ring membership passed
201: ok 749 # correct SSSR count
201: ok 750 # ring membership passed
201: ok 751 # correct SSSR count
201: ok 752 # ring membership passed
201: ok 753 # correct SSSR count
201: ok 754 # ring membership passed
201: ok 755 # correct SSSR count
201: ok 756 # ring membership passed
201: ok 757 # correct SSSR count
201: ok 758 # ring membership passed
201: ok 759 # correct SSSR count
201: ok 760 # ring membership passed
201: ok 761 # correct SSSR count
201: ok 762 # ring membership passed
201: ok 763 # correct SSSR count
201: ok 764 # ring membership passed
201: ok 765 # correct SSSR count
201: ok 766 # ring membership passed
201: ok 767 # correct SSSR count
201: ok 768 # ring membership passed
201: ok 769 # correct SSSR count
201: ok 770 # ring membership passed
201: ok 771 # correct SSSR count
201: ok 772 # ring membership passed
201: ok 773 # correct SSSR count
201: ok 774 # ring membership passed
201: ok 775 # correct SSSR count
201: ok 776 # ring membership passed
201: ok 777 # correct ring bond data
201: ok 778 # correct ring bond data
201: ok 779 # correct ring bond data
201: ok 780 # correct ring bond data
201: ok 781 # correct ring bond data
201: ok 782 # correct ring bond data
201: ok 783 # correct ring bond data
201: ok 784 # correct ring bond data
201: ok 785 # correct ring bond data
201: ok 786 # correct ring bond data
201: ok 787 # correct ring bond data
201: ok 788 # correct ring bond data
201: ok 789 # correct ring bond data
201: ok 790 # correct ring bond data
201: ok 791 # correct ring bond data
201: ok 792 # correct ring bond data
201: ok 793 # correct ring bond data
201: ok 794 # SSSR size matches reference
201: ok 795 # correct SSSR count
201: ok 796 # ring membership passed
201: ok 797 # correct SSSR count
201: ok 798 # ring membership passed
201: ok 799 # correct SSSR count
201: ok 800 # ring membership passed
201: ok 801 # correct SSSR count
201: ok 802 # ring membership passed
201: ok 803 # correct SSSR count
201: ok 804 # ring membership passed
201: ok 805 # correct SSSR count
201: ok 806 # ring membership passed
201: ok 807 # correct SSSR count
201: ok 808 # ring membership passed
201: ok 809 # correct SSSR count
201: ok 810 # ring membership passed
201: ok 811 # correct SSSR count
201: ok 812 # ring membership passed
201: ok 813 # correct SSSR count
201: ok 814 # ring membership passed
201: ok 815 # correct SSSR count
201: ok 816 # ring membership passed
201: ok 817 # correct SSSR count
201: ok 818 # ring membership passed
201: ok 819 # correct SSSR count
201: ok 820 # ring membership passed
201: ok 821 # correct SSSR count
201: ok 822 # ring membership passed
201: ok 823 # correct SSSR count
201: ok 824 # ring membership passed
201: ok 825 # correct SSSR count
201: ok 826 # ring membership passed
201: ok 827 # correct ring bond data
201: ok 828 # correct ring bond data
201: ok 829 # correct ring bond data
201: ok 830 # correct ring bond data
201: ok 831 # correct ring bond data
201: ok 832 # correct ring bond data
201: ok 833 # correct ring bond data
201: ok 834 # correct ring bond data
201: ok 835 # correct ring bond data
201: ok 836 # correct ring bond data
201: ok 837 # correct ring bond data
201: ok 838 # correct ring bond data
201: ok 839 # correct ring bond data
201: ok 840 # correct ring bond data
201: ok 841 # correct ring bond data
201: ok 842 # correct ring bond data
201: ok 843 # correct ring bond data
201: ok 844 # correct ring bond data
201: ok 845 # correct ring bond data
201: ok 846 # correct ring bond data
201: ok 847 # correct ring bond data
201: ok 848 # correct ring bond data
201: ok 849 # SSSR size matches reference
201: ok 850 # correct SSSR count
201: ok 851 # ring membership passed
201: ok 852 # correct SSSR count
201: ok 853 # ring membership passed
201: ok 854 # correct SSSR count
201: ok 855 # ring membership passed
201: ok 856 # correct SSSR count
201: ok 857 # ring membership passed
201: ok 858 # correct SSSR count
201: ok 859 # ring membership passed
201: ok 860 # correct SSSR count
201: ok 861 # ring membership passed
201: ok 862 # correct SSSR count
201: ok 863 # ring membership passed
201: ok 864 # correct SSSR count
201: ok 865 # ring membership passed
201: ok 866 # correct SSSR count
201: ok 867 # ring membership passed
201: ok 868 # correct SSSR count
201: ok 869 # ring membership passed
201: ok 870 # correct SSSR count
201: ok 871 # ring membership passed
201: ok 872 # correct SSSR count
201: ok 873 # ring membership passed
201: ok 874 # correct SSSR count
201: ok 875 # ring membership passed
201: ok 876 # correct SSSR count
201: ok 877 # ring membership passed
201: ok 878 # correct SSSR count
201: ok 879 # ring membership passed
201: ok 880 # correct SSSR count
201: ok 881 # ring membership passed
201: ok 882 # correct SSSR count
201: ok 883 # ring membership passed
201: ok 884 # correct SSSR count
201: ok 885 # ring membership passed
201: ok 886 # correct SSSR count
201: ok 887 # ring membership passed
201: ok 888 # correct SSSR count
201: ok 889 # ring membership passed
201: ok 890 # correct ring bond data
201: ok 891 # correct ring bond data
201: ok 892 # correct ring bond data
201: ok 893 # correct ring bond data
201: ok 894 # correct ring bond data
201: ok 895 # correct ring bond data
201: ok 896 # correct ring bond data
201: ok 897 # correct ring bond data
201: ok 898 # correct ring bond data
201: ok 899 # correct ring bond data
201: ok 900 # correct ring bond data
201: ok 901 # correct ring bond data
201: ok 902 # correct ring bond data
201: ok 903 # correct ring bond data
201: ok 904 # correct ring bond data
201: ok 905 # correct ring bond data
201: ok 906 # correct ring bond data
201: ok 907 # correct ring bond data
201: ok 908 # correct ring bond data
201: ok 909 # correct ring bond data
201: ok 910 # correct ring bond data
201: ok 911 # correct ring bond data
201: ok 912 # correct ring bond data
201: ok 913 # SSSR size matches reference
201: ok 914 # correct SSSR count
201: ok 915 # ring membership passed
201: ok 916 # correct SSSR count
201: ok 917 # ring membership passed
201: ok 918 # correct SSSR count
201: ok 919 # ring membership passed
201: ok 920 # correct SSSR count
201: ok 921 # ring membership passed
201: ok 922 # correct SSSR count
201: ok 923 # ring membership passed
201: ok 924 # correct SSSR count
201: ok 925 # ring membership passed
201: ok 926 # correct SSSR count
201: ok 927 # ring membership passed
201: ok 928 # correct SSSR count
201: ok 929 # ring membership passed
201: ok 930 # correct SSSR count
201: ok 931 # ring membership passed
201: ok 932 # correct SSSR count
201: ok 933 # ring membership passed
200: ok 16 # MET
200: ok 17 # PHE
200: ok 18 # PRO
200: ok 19 # SER
200: ok 20 # THR
200: ok 21 # TRP
200: ok 22 # TYR
200: ok 23 # VAL
200: ok 24 #   A
200: ok 25 #   C
200: ok 26 #   G
200: ok 27 #   T
200: ok 28 #   U
200: ==============================
200: *** Open Babel Warning  in ParseSmiles
200:   Failed to kekulize aromatic SMILES
200: 
201: ok 934 # correct SSSR count
201: ok 935 # ring membership passed
201: ok 936 # correct SSSR count
201: ok 937 # ring membership passed
201: ok 938 # correct SSSR count
201: ok 939 # ring membership passed
201: ok 940 # correct SSSR count
201: ok 941 # ring membership passed
201: ok 942 # correct SSSR count
201: ok 943 # ring membership passed
201: ok 944 # correct SSSR count
201: ok 945 # ring membership passed
201: ok 946 # correct SSSR count
201: ok 947 # ring membership passed
201: ok 948 # correct SSSR count
201: ok 949 # ring membership passed
201: ok 950 # correct SSSR count
201: ok 951 # ring membership passed
201: ok 952 # correct SSSR count
201: ok 953 # ring membership passed
201: ok 954 # correct SSSR count
201: ok 955 # ring membership passed
201: ok 956 # correct ring bond data
201: ok 957 # correct ring bond data
201: ok 958 # correct ring bond data
201: ok 959 # correct ring bond data
201: ok 960 # correct ring bond data
201: ok 961 # correct ring bond data
201: ok 962 # correct ring bond data
201: ok 963 # correct ring bond data
201: ok 964 # correct ring bond data
201: ok 965 # correct ring bond data
201: ok 966 # correct ring bond data
201: ok 967 # correct ring bond data
201: ok 968 # correct ring bond data
201: ok 969 # correct ring bond data
201: ok 970 # correct ring bond data
201: ok 971 # correct ring bond data
201: ok 972 # correct ring bond data
201: ok 973 # correct ring bond data
201: ok 974 # correct ring bond data
201: ok 975 # correct ring bond data
201: ok 976 # correct ring bond data
201: ok 977 # correct ring bond data
201: ok 978 # correct ring bond data
201: ok 979 # SSSR size matches reference
201: ok 980 # correct SSSR count
201: ok 981 # ring membership passed
201: ok 982 # correct SSSR count
201: ok 983 # ring membership passed
201: ok 984 # correct SSSR count
201: ok 985 # ring membership passed
201: ok 986 # correct SSSR count
201: ok 987 # ring membership passed
201: ok 988 # correct SSSR count
201: ok 989 # ring membership passed
201: ok 990 # correct SSSR count
201: ok 991 # ring membership passed
201: ok 992 # correct SSSR count
201: ok 993 # ring membership passed
201: ok 994 # correct SSSR count
201: ok 995 # ring membership passed
201: ok 996 # correct SSSR count
201: ok 997 # ring membership passed
201: ok 998 # correct SSSR count
201: ok 999 # ring membership passed
201: ok 1000 # correct SSSR count
201: ok 1001 # ring membership passed
201: ok 1002 # correct SSSR count
201: ok 1003 # ring membership passed
201: ok 1004 # correct SSSR count
201: ok 1005 # ring membership passed
201: ok 1006 # correct SSSR count
201: ok 1007 # ring membership passed
201: ok 1008 # correct SSSR count
201: ok 1009 # ring membership passed
201: ok 1010 # correct SSSR count
201: ok 1011 # ring membership passed
201: ok 1012 # correct SSSR count
201: ok 1013 # ring membership passed
201: ok 1014 # correct SSSR count
201: ok 1015 # ring membership passed
201: ok 1016 # correct SSSR count
201: ok 1017 # ring membership passed
201: ok 1018 # correct SSSR count
201: ok 1019 # ring membership passed
201: ok 1020 # correct SSSR count
201: ok 1021 # ring membership passed
201: ok 1022 # correct ring bond data
201: ok 1023 # correct ring bond data
201: ok 1024 # correct ring bond data
201: ok 1025 # correct ring bond data
201: ok 1026 # correct ring bond data
201: ok 1027 # correct ring bond data
201: ok 1028 # correct ring bond data
201: ok 1029 # correct ring bond data
201: ok 1030 # correct ring bond data
201: ok 1031 # correct ring bond data
201: ok 1032 # correct ring bond data
201: ok 1033 # correct ring bond data
201: ok 1034 # correct ring bond data
201: ok 1035 # correct ring bond data
201: ok 1036 # correct ring bond data
201: ok 1037 # correct ring bond data
201: ok 1038 # correct ring bond data
201: ok 1039 # correct ring bond data
201: ok 1040 # correct ring bond data
201: ok 1041 # correct ring bond data
201: ok 1042 # correct ring bond data
201: ok 1043 # correct ring bond data
201: ok 1044 # correct ring bond data
201: ok 1045 # SSSR size matches reference
201: ok 1046 # correct SSSR count
201: ok 1047 # ring membership passed
201: ok 1048 # correct SSSR count
201: ok 1049 # ring membership passed
201: ok 1050 # correct SSSR count
201: ok 1051 # ring membership passed
201: ok 1052 # correct SSSR count
201: ok 1053 # ring membership passed
201: ok 1054 # correct SSSR count
201: ok 1055 # ring membership passed
201: ok 1056 # correct SSSR count
201: ok 1057 # ring membership passed
201: ok 1058 # correct SSSR count
201: ok 1059 # ring membership passed
201: ok 1060 # correct SSSR count
201: ok 1061 # ring membership passed
201: ok 1062 # correct SSSR count
201: ok 1063 # ring membership passed
201: ok 1064 # correct SSSR count
201: ok 1065 # ring membership passed
201: ok 1066 # correct SSSR count
201: ok 1067 # ring membership passed
201: ok 1068 # correct SSSR count
201: ok 1069 # ring membership passed
201: ok 1070 # correct SSSR count
201: ok 1071 # ring membership passed
201: ok 1072 # correct SSSR count
201: ok 1073 # ring membership passed
201: ok 1074 # correct SSSR count
201: ok 1075 # ring membership passed
201: ok 1076 # correct SSSR count
201: ok 1077 # ring membership passed
201: ok 1078 # correct SSSR count
201: ok 1079 # ring membership passed
201: ok 1080 # correct SSSR count
201: ok 1081 # ring membership passed
201: ok 1082 # correct SSSR count
201: ok 1083 # ring membership passed
201: ok 1084 # correct SSSR count
201: ok 1085 # ring membership passed
201: ok 1086 # correct SSSR count
201: ok 1087 # ring membership passed
201: ok 1088 # correct ring bond data
201: ok 1089 # correct ring bond data
201: ok 1090 # correct ring bond data
201: ok 1091 # correct ring bond data
201: ok 1092 # correct ring bond data
201: ok 1093 # correct ring bond data
201: ok 1094 # correct ring bond data
201: ok 1095 # correct ring bond data
201: ok 1096 # correct ring bond data
201: ok 1097 # correct ring bond data
201: ok 1098 # correct ring bond data
201: ok 1099 # correct ring bond data
201: ok 1100 # correct ring bond data
201: ok 1101 # correct ring bond data
201: ok 1102 # correct ring bond data
201: ok 1103 # correct ring bond data
201: ok 1104 # correct ring bond data
201: ok 1105 # correct ring bond data
201: ok 1106 # SSSR size matches reference
201: ok 1107 # correct SSSR count
201: ok 1108 # ring membership passed
201: ok 1109 # correct SSSR count
201: ok 1110 # ring membership passed
201: ok 1111 # correct SSSR count
201: ok 1112 # ring membership passed
201: ok 1113 # correct SSSR count
201: ok 1114 # ring membership passed
201: ok 1115 # correct SSSR count
201: ok 1116 # ring membership passed
201: ok 1117 # correct SSSR count
201: ok 1118 # ring membership passed
201: ok 1119 # correct SSSR count
201: ok 1120 # ring membership passed
201: ok 1121 # correct SSSR count
201: ok 1122 # ring membership passed
201: ok 1123 # correct SSSR count
201: ok 1124 # ring membership passed
201: ok 1125 # correct SSSR count
201: ok 1126 # ring membership passed
201: ok 1127 # correct SSSR count
201: ok 1128 # ring membership passed
201: ok 1129 # correct SSSR count
201: ok 1130 # ring membership passed
201: ok 1131 # correct SSSR count
201: ok 1132 # ring membership passed
201: ok 1133 # correct SSSR count
201: ok 1134 # ring membership passed
201: ok 1135 # correct SSSR count
201: ok 1136 # ring membership passed
201: ok 1137 # correct SSSR count
201: ok 1138 # ring membership passed
201: ok 1139 # correct ring bond data
201: ok 1140 # correct ring bond data
201: ok 1141 # correct ring bond data
201: ok 1142 # correct ring bond data
201: ok 1143 # correct ring bond data
201: ok 1144 # correct ring bond data
201: ok 1145 # correct ring bond data
201: ok 1146 # correct ring bond data
201: ok 1147 # correct ring bond data
201: ok 1148 # correct ring bond data
201: ok 1149 # correct ring bond data
201: ok 1150 # correct ring bond data
201: ok 1151 # correct ring bond data
201: ok 1152 # correct ring bond data
201: ok 1153 # correct ring bond data
201: ok 1154 # correct ring bond data
201: ok 1155 # correct ring bond data
201: ok 1156 # correct ring bond data
201: ok 1157 # correct ring bond data
201: ok 1158 # correct ring bond data
201: ok 1159 # SSSR size matches reference
201: ok 1160 # correct SSSR count
201: ok 1161 # ring membership passed
201: ok 1162 # correct SSSR count
201: ok 1163 # ring membership passed
201: ok 1164 # correct SSSR count
201: ok 1165 # ring membership passed
201: ok 1166 # correct SSSR count
201: ok 1167 # ring membership passed
201: ok 1168 # correct SSSR count
201: ok 1169 # ring membership passed
201: ok 1170 # correct SSSR count
201: ok 1171 # ring membership passed
201: ok 1172 # correct SSSR count
201: ok 1173 # ring membership passed
201: ok 1174 # correct SSSR count
201: ok 1175 # ring membership passed
201: ok 1176 # correct SSSR count
201: ok 1177 # ring membership passed
201: ok 1178 # correct SSSR count
201: ok 1179 # ring membership passed
201: ok 1180 # correct SSSR count
201: ok 1181 # ring membership passed
201: ok 1182 # correct SSSR count
201: ok 1183 # ring membership passed
201: ok 1184 # correct SSSR count
201: ok 1185 # ring membership passed
201: ok 1186 # correct SSSR count
201: ok 1187 # ring membership passed
201: ok 1188 # correct SSSR count
201: ok 1189 # ring membership passed
201: ok 1190 # correct SSSR count
201: ok 1191 # ring membership passed
201: ok 1192 # correct SSSR count
201: ok 1193 # ring membership passed
201: ok 1194 # correct SSSR count
201: ok 1195 # ring membership passed
201: ok 1196 # correct ring bond data
201: ok 1197 # correct ring bond data
201: ok 1198 # correct ring bond data
201: ok 1199 # correct ring bond data
201: ok 1200 # correct ring bond data
201: ok 1201 # correct ring bond data
201: ok 1202 # correct ring bond data
201: ok 1203 # correct ring bond data
201: ok 1204 # correct ring bond data
201: ok 1205 # correct ring bond data
201: ok 1206 # SSSR size matches reference
201: ok 1207 # correct SSSR count
201: ok 1208 # ring membership passed
201: ok 1209 # correct SSSR count
201: ok 1210 # ring membership passed
201: ok 1211 # correct SSSR count
201: ok 1212 # ring membership passed
201: ok 1213 # correct SSSR count
201: ok 1214 # ring membership passed
201: ok 1215 # correct SSSR count
201: ok 1216 # ring membership passed
201: ok 1217 # correct SSSR count
201: ok 1218 # ring membership passed
201: ok 1219 # correct SSSR count
201: ok 1220 # ring membership passed
201: ok 1221 # correct SSSR count
201: ok 1222 # ring membership passed
201: ok 1223 # correct SSSR count
201: ok 1224 # ring membership passed
201: ok 1225 # correct SSSR count
201: ok 1226 # ring membership passed
201: ok 1227 # correct SSSR count
201: ok 1228 # ring membership passed
201: ok 1229 # correct ring bond data
201: ok 1230 # correct ring bond data
201: ok 1231 # correct ring bond data
201: ok 1232 # correct ring bond data
201: ok 1233 # correct ring bond data
201: ok 1234 # correct ring bond data
201: ok 1235 # correct ring bond data
201: ok 1236 # correct ring bond data
201: ok 1237 # correct ring bond data
201: ok 1238 # correct ring bond data
201: ok 1239 # correct ring bond data
201: ok 1240 # correct ring bond data
201: ok 1241 # correct ring bond data
201: ok 1242 # correct ring bond data
201: ok 1243 # correct ring bond data
201: ok 1244 # correct ring bond data
201: ok 1245 # correct ring bond data
201: ok 1246 # correct ring bond data
201: ok 1247 # correct ring bond data
201: ok 1248 # correct ring bond data
201: ok 1249 # correct ring bond data
201: ok 1250 # correct ring bond data
201: ok 1251 # SSSR size matches reference
201: ok 1252 # correct SSSR count
201: ok 1253 # ring membership passed
201: ok 1254 # correct SSSR count
201: ok 1255 # ring membership passed
201: ok 1256 # correct SSSR count
201: ok 1257 # ring membership passed
201: ok 1258 # correct SSSR count
201: ok 1259 # ring membership passed
201: ok 1260 # correct SSSR count
201: ok 1261 # ring membership passed
201: ok 1262 # correct SSSR count
201: ok 1263 # ring membership passed
201: ok 1264 # correct SSSR count
201: ok 1265 # ring membership passed
201: ok 1266 # correct SSSR count
201: ok 1267 # ring membership passed
201: ok 1268 # correct SSSR count
201: ok 1269 # ring membership passed
201: ok 1270 # correct SSSR count
201: ok 1271 # ring membership passed
201: ok 1272 # correct SSSR count
201: ok 1273 # ring membership passed
201: ok 1274 # correct SSSR count
201: ok 1275 # ring membership passed
201: ok 1276 # correct SSSR count
201: ok 1277 # ring membership passed
201: ok 1278 # correct SSSR count
201: ok 1279 # ring membership passed
201: ok 1280 # correct SSSR count
201: ok 1281 # ring membership passed
201: ok 1282 # correct SSSR count
201: ok 1283 # ring membership passed
201: ok 1284 # correct SSSR count
201: ok 1285 # ring membership passed
201: ok 1286 # correct SSSR count
201: ok 1287 # ring membership passed
201: ok 1288 # correct SSSR count
201: ok 1289 # ring membership passed
201: ok 1290 # correct SSSR count
201: ok 1291 # ring membership passed
201: ok 1292 # correct ring bond data
201: ok 1293 # correct ring bond data
201: ok 1294 # correct ring bond data
201: ok 1295 # correct ring bond data
201: ok 1296 # correct ring bond data
201: ok 1297 # correct ring bond data
201: ok 1298 # correct ring bond data
201: ok 1299 # correct ring bond data
201: ok 1300 # correct ring bond data
201: ok 1301 # correct ring bond data
201: ok 1302 # correct ring bond data
201: ok 1303 # correct ring bond data
201: ok 1304 # correct ring bond data
201: ok 1305 # correct ring bond data
201: ok 1306 # SSSR size matches reference
201: ok 1307 # correct SSSR count
201: ok 1308 # ring membership passed
201: ok 1309 # correct SSSR count
201: ok 1310 # ring membership passed
201: ok 1311 # correct SSSR count
201: ok 1312 # ring membership passed
201: ok 1313 # correct SSSR count
201: ok 1314 # ring membership passed
201: ok 1315 # correct SSSR count
201: ok 1316 # ring membership passed
201: ok 1317 # correct SSSR count
201: ok 1318 # ring membership passed
201: ok 1319 # correct SSSR count
201: ok 1320 # ring membership passed
201: ok 1321 # correct SSSR count
201: ok 1322 # ring membership passed
201: ok 1323 # correct SSSR count
201: ok 1324 # ring membership passed
201: ok 1325 # correct SSSR count
201: ok 1326 # ring membership passed
201: ok 1327 # correct SSSR count
201: ok 1328 # ring membership passed
201: ok 1329 # correct SSSR count
201: ok 1330 # ring membership passed
201: ok 1331 # correct SSSR count
201: ok 1332 # ring membership passed
201: ok 1333 # correct ring bond data
201: ok 1334 # correct ring bond data
201: ok 1335 # correct ring bond data
201: ok 1336 # correct ring bond data
201: ok 1337 # correct ring bond data
201: ok 1338 # correct ring bond data
201: ok 1339 # correct ring bond data
201: ok 1340 # correct ring bond data
201: ok 1341 # correct ring bond data
201: ok 1342 # correct ring bond data
201: ok 1343 # correct ring bond data
201: ok 1344 # correct ring bond data
201: ok 1345 # correct ring bond data
201: ok 1346 # correct ring bond data
201: ok 1347 # correct ring bond data
201: ok 1348 # correct ring bond data
201: ok 1349 # correct ring bond data
201: ok 1350 # correct ring bond data
201: ok 1351 # correct ring bond data
201: ok 1352 # correct ring bond data
201: ok 1353 # correct ring bond data
201: ok 1354 # correct ring bond data
201: ok 1355 # correct ring bond data
201: ok 1356 # correct ring bond data
201: ok 1357 # SSSR size matches reference
201: ok 1358 # correct SSSR count
201: ok 1359 # ring membership passed
201: ok 1360 # correct SSSR count
201: ok 1361 # ring membership passed
201: ok 1362 # correct SSSR count
201: ok 1363 # ring membership passed
201: ok 1364 # correct SSSR count
201: ok 1365 # ring membership passed
201: ok 1366 # correct SSSR count
201: ok 1367 # ring membership passed
201: ok 1368 # correct SSSR count
201: ok 1369 # ring membership passed
201: ok 1370 # correct SSSR count
201: ok 1371 # ring membership passed
201: ok 1372 # correct SSSR count
201: ok 1373 # ring membership passed
201: ok 1374 # correct SSSR count
201: ok 1375 # ring membership passed
201: ok 1376 # correct SSSR count
201: ok 1377 # ring membership passed
201: ok 1378 # correct SSSR count
201: ok 1379 # ring membership passed
201: ok 1380 # correct SSSR count
201: ok 1381 # ring membership passed
201: ok 1382 # correct SSSR count
201: ok 1383 # ring membership passed
201: ok 1384 # correct SSSR count
201: ok 1385 # ring membership passed
201: ok 1386 # correct SSSR count
201: ok 1387 # ring membership passed
201: ok 1388 # correct SSSR count
201: ok 1389 # ring membership passed
201: ok 1390 # correct SSSR count
201: ok 1391 # ring membership passed
201: ok 1392 # correct SSSR count
201: ok 1393 # ring membership passed
201: ok 1394 # correct SSSR count
201: ok 1395 # ring membership passed
201: ok 1396 # correct SSSR count
201: ok 1397 # ring membership passed
201: ok 1398 # correct SSSR count
201: ok 1399 # ring membership passed
201: ok 1400 # correct SSSR count
201: ok 1401 # ring membership passed
201: ok 1402 # correct ring bond data
201: ok 1403 # correct ring bond data
201: ok 1404 # correct ring bond data
201: ok 1405 # correct ring bond data
201: ok 1406 # correct ring bond data
201: ok 1407 # correct ring bond data
201: ok 1408 # correct ring bond data
201: ok 1409 # correct ring bond data
201: ok 1410 # correct ring bond data
201: ok 1411 # correct ring bond data
201: ok 1412 # correct ring bond data
201: ok 1413 # correct ring bond data
201: ok 1414 # correct ring bond data
201: ok 1415 # correct ring bond data
201: ok 1416 # correct ring bond data
201: ok 1417 # correct ring bond data
201: ok 1418 # correct ring bond data
201: ok 1419 # SSSR size matches reference
201: ok 1420 # correct SSSR count
201: ok 1421 # ring membership passed
201: ok 1422 # correct SSSR count
201: ok 1423 # ring membership passed
201: ok 1424 # correct SSSR count
201: ok 1425 # ring membership passed
201: ok 1426 # correct SSSR count
201: ok 1427 # ring membership passed
201: ok 1428 # correct SSSR count
201: ok 1429 # ring membership passed
201: ok 1430 # correct SSSR count
201: ok 1431 # ring membership passed
201: ok 1432 # correct SSSR count
201: ok 1433 # ring membership passed
201: ok 1434 # correct SSSR count
201: ok 1435 # ring membership passed
201: ok 1436 # correct SSSR count
201: ok 1437 # ring membership passed
201: ok 1438 # correct SSSR count
201: ok 1439 # ring membership passed
201: ok 1440 # correct SSSR count
201: ok 1441 # ring membership passed
201: ok 1442 # correct SSSR count
201: ok 1443 # ring membership passed
201: ok 1444 # correct SSSR count
201: ok 1445 # ring membership passed
201: ok 1446 # correct SSSR count
201: ok 1447 # ring membership passed
201: ok 1448 # correct SSSR count
201: ok 1449 # ring membership passed
201: ok 1450 # correct SSSR count
201: ok 1451 # ring membership passed
201: ok 1452 # correct SSSR count
201: ok 1453 # ring membership passed
201: ok 1454 # correct ring bond data
201: ok 1455 # correct ring bond data
201: ok 1456 # correct ring bond data
201: ok 1457 # correct ring bond data
201: ok 1458 # correct ring bond data
201: ok 1459 # correct ring bond data
201: ok 1460 # correct ring bond data
201: ok 1461 # correct ring bond data
201: ok 1462 # correct ring bond data
201: ok 1463 # correct ring bond data
201: ok 1464 # correct ring bond data
201: ok 1465 # correct ring bond data
201: ok 1466 # correct ring bond data
201: ok 1467 # correct ring bond data
201: ok 1468 # correct ring bond data
201: ok 1469 # correct ring bond data
201: ok 1470 # SSSR size matches reference
201: ok 1471 # correct SSSR count
201: ok 1472 # ring membership passed
201: ok 1473 # correct SSSR count
201: ok 1474 # ring membership passed
201: ok 1475 # correct SSSR count
201: ok 1476 # ring membership passed
201: ok 1477 # correct SSSR count
201: ok 1478 # ring membership passed
201: ok 1479 # correct SSSR count
201: ok 1480 # ring membership passed
201: ok 1481 # correct SSSR count
201: ok 1482 # ring membership passed
201: ok 1483 # correct SSSR count
201: ok 1484 # ring membership passed
201: ok 1485 # correct SSSR count
201: ok 1486 # ring membership passed
201: ok 1487 # correct SSSR count
201: ok 1488 # ring membership passed
201: ok 1489 # correct SSSR count
201: ok 1490 # ring membership passed
201: ok 1491 # correct SSSR count
201: ok 1492 # ring membership passed
201: ok 1493 # correct SSSR count
201: ok 1494 # ring membership passed
201: ok 1495 # correct SSSR count
201: ok 1496 # ring membership passed
201: ok 1497 # correct SSSR count
201: ok 1498 # ring membership passed
201: ok 1499 # correct SSSR count
201: ok 1500 # ring membership passed
201: ok 1501 # correct ring bond data
201: ok 1502 # correct ring bond data
201: ok 1503 # correct ring bond data
201: ok 1504 # correct ring bond data
201: ok 1505 # correct ring bond data
201: ok 1506 # correct ring bond data
201: ok 1507 # correct ring bond data
201: ok 1508 # correct ring bond data
201: ok 1509 # correct ring bond data
201: ok 1510 # correct ring bond data
201: ok 1511 # correct ring bond data
201: ok 1512 # correct ring bond data
201: ok 1513 # correct ring bond data
201: ok 1514 # correct ring bond data
201: ok 1515 # correct ring bond data
201: ok 1516 # correct ring bond data
201: ok 1517 # correct ring bond data
201: ok 1518 # correct ring bond data
201: ok 1519 # correct ring bond data
201: ok 1520 # SSSR size matches reference
201: ok 1521 # correct SSSR count
201: ok 1522 # ring membership passed
201: ok 1523 # correct SSSR count
201: ok 1524 # ring membership passed
201: ok 1525 # correct SSSR count
201: ok 1526 # ring membership passed
201: ok 1527 # correct SSSR count
201: ok 1528 # ring membership passed
201: ok 1529 # correct SSSR count
201: ok 1530 # ring membership passed
201: ok 1531 # correct SSSR count
201: ok 1532 # ring membership passed
201: ok 1533 # correct SSSR count
201: ok 1534 # ring membership passed
201: ok 1535 # correct SSSR count
201: ok 1536 # ring membership passed
201: ok 1537 # correct SSSR count
201: ok 1538 # ring membership passed
201: ok 1539 # correct SSSR count
201: ok 1540 # ring membership passed
201: ok 1541 # correct SSSR count
201: ok 1542 # ring membership passed
201: ok 1543 # correct SSSR count
201: ok 1544 # ring membership passed
201: ok 1545 # correct SSSR count
201: ok 1546 # ring membership passed
201: ok 1547 # correct SSSR count
201: ok 1548 # ring membership passed
201: ok 1549 # correct SSSR count
201: ok 1550 # ring membership passed
201: ok 1551 # correct SSSR count
201: ok 1552 # ring membership passed
201: ok 1553 # correct SSSR count
201: ok 1554 # ring membership passed
201: ok 1555 # correct SSSR count
201: ok 1556 # ring membership passed
201: ok 1557 # correct ring bond data
201: ok 1558 # correct ring bond data
201: ok 1559 # correct ring bond data
201: ok 1560 # correct ring bond data
201: ok 1561 # correct ring bond data
201: ok 1562 # correct ring bond data
201: ok 1563 # correct ring bond data
201: ok 1564 # correct ring bond data
201: ok 1565 # correct ring bond data
201: ok 1566 # correct ring bond data
201: ok 1567 # correct ring bond data
201: ok 1568 # SSSR size matches reference
201: ok 1569 # correct SSSR count
201: ok 1570 # ring membership passed
201: ok 1571 # correct SSSR count
201: ok 1572 # ring membership passed
201: ok 1573 # correct SSSR count
201: ok 1574 # ring membership passed
201: ok 1575 # correct SSSR count
201: ok 1576 # ring membership passed
201: ok 1577 # correct SSSR count
201: ok 1578 # ring membership passed
201: ok 1579 # correct SSSR count
201: ok 1580 # ring membership passed
201: ok 1581 # correct SSSR count
201: ok 1582 # ring membership passed
201: ok 1583 # correct SSSR count
201: ok 1584 # ring membership passed
201: ok 1585 # correct SSSR count
201: ok 1586 # ring membership passed
201: ok 1587 # correct SSSR count
201: ok 1588 # ring membership passed
201: ok 1589 # correct SSSR count
201: ok 1590 # ring membership passed
201: ok 1591 # correct SSSR count
201: ok 1592 # ring membership passed
201: ok 1593 # correct ring bond data
201: ok 1594 # correct ring bond data
201: ok 1595 # correct ring bond data
201: ok 1596 # correct ring bond data
201: ok 1597 # correct ring bond data
201: ok 1598 # correct ring bond data
201: ok 1599 # correct ring bond data
201: ok 1600 # correct ring bond data
201: ok 1601 # correct ring bond data
201: ok 1602 # correct ring bond data
201: ok 1603 # correct ring bond data
201: ok 1604 # correct ring bond data
201: ok 1605 # correct ring bond data
201: ok 1606 # correct ring bond data
201: ok 1607 # correct ring bond data
201: ok 1608 # correct ring bond data
201: ok 1609 # correct ring bond data
201: ok 1610 # correct ring bond data
201: ok 1611 # correct ring bond data
201: ok 1612 # SSSR size matches reference
201: ok 1613 # correct SSSR count
201: ok 1614 # ring membership passed
201: ok 1615 # correct SSSR count
201: ok 1616 # ring membership passed
201: ok 1617 # correct SSSR count
201: ok 1618 # ring membership passed
201: ok 1619 # correct SSSR count
201: ok 1620 # ring membership passed
201: ok 1621 # correct SSSR count
201: ok 1622 # ring membership passed
201: ok 1623 # correct SSSR count
201: ok 1624 # ring membership passed
201: ok 1625 # correct SSSR count
201: ok 1626 # ring membership passed
201: ok 1627 # correct SSSR count
201: ok 1628 # ring membership passed
201: ok 1629 # correct SSSR count
201: ok 1630 # ring membership passed
201: ok 1631 # correct SSSR count
201: ok 1632 # ring membership passed
201: ok 1633 # correct SSSR count
201: ok 1634 # ring membership passed
201: ok 1635 # correct SSSR count
201: ok 1636 # ring membership passed
201: ok 1637 # correct SSSR count
201: ok 1638 # ring membership passed
201: ok 1639 # correct SSSR count
201: ok 1640 # ring membership passed
201: ok 1641 # correct SSSR count
201: ok 1642 # ring membership passed
201: ok 1643 # correct SSSR count
201: ok 1644 # ring membership passed
201: ok 1645 # correct SSSR count
201: ok 1646 # ring membership passed
201: ok 1647 # correct SSSR count
201: ok 1648 # ring membership passed
201: ok 1649 # correct SSSR count
201: ok 1650 # ring membership passed
201: ok 1651 # correct ring bond data
201: ok 1652 # correct ring bond data
201: ok 1653 # correct ring bond data
201: ok 1654 # correct ring bond data
201: ok 1655 # correct ring bond data
201: ok 1656 # correct ring bond data
201: ok 1657 # correct ring bond data
201: ok 1658 # correct ring bond data
201: ok 1659 # correct ring bond data
201: ok 1660 # correct ring bond data
201: ok 1661 # correct ring bond data
201: ok 1662 # correct ring bond data
201: ok 1663 # correct ring bond data
201: ok 1664 # correct ring bond data
201: ok 1665 # correct ring bond data
201: ok 1666 # correct ring bond data
201: ok 1667 # correct ring bond data
201: ok 1668 # correct ring bond data
201: ok 1669 # correct ring bond data
201: ok 1670 # SSSR size matches reference
201: ok 1671 # correct SSSR count
201: ok 1672 # ring membership passed
201: ok 1673 # correct SSSR count
201: ok 1674 # ring membership passed
201: ok 1675 # correct SSSR count
201: ok 1676 # ring membership passed
201: ok 1677 # correct SSSR count
201: ok 1678 # ring membership passed
201: ok 1679 # correct SSSR count
201: ok 1680 # ring membership passed
201: ok 1681 # correct SSSR count
201: ok 1682 # ring membership passed
201: ok 1683 # correct SSSR count
201: ok 1684 # ring membership passed
201: ok 1685 # correct SSSR count
201: ok 1686 # ring membership passed
201: ok 1687 # correct SSSR count
201: ok 1688 # ring membership passed
201: ok 1689 # correct SSSR count
201: ok 1690 # ring membership passed
201: ok 1691 # correct SSSR count
201: ok 1692 # ring membership passed
201: ok 1693 # correct SSSR count
201: ok 1694 # ring membership passed
201: ok 1695 # correct SSSR count
201: ok 1696 # ring membership passed
201: ok 1697 # correct SSSR count
201: ok 1698 # ring membership passed
201: ok 1699 # correct SSSR count
201: ok 1700 # ring membership passed
201: ok 1701 # correct SSSR count
201: ok 1702 # ring membership passed
201: ok 1703 # correct SSSR count
201: ok 1704 # ring membership passed
201: ok 1705 # correct SSSR count
201: ok 1706 # ring membership passed
201: ok 1707 # correct SSSR count
201: ok 1708 # ring membership passed
201: ok 1709 # correct ring bond data
201: ok 1710 # correct ring bond data
201: ok 1711 # correct ring bond data
201: ok 1712 # correct ring bond data
201: ok 1713 # correct ring bond data
201: ok 1714 # correct ring bond data
201: ok 1715 # correct ring bond data
201: ok 1716 # correct ring bond data
201: ok 1717 # correct ring bond data
201: ok 1718 # correct ring bond data
201: ok 1719 # correct ring bond data
201: ok 1720 # correct ring bond data
201: ok 1721 # correct ring bond data
201: ok 1722 # correct ring bond data
201: ok 1723 # correct ring bond data
201: ok 1724 # correct ring bond data
201: ok 1725 # correct ring bond data
201: ok 1726 # correct ring bond data
201: ok 1727 # correct ring bond data
201: ok 1728 # correct ring bond data
201: ok 1729 # correct ring bond data
201: ok 1730 # correct ring bond data
201: ok 1731 # correct ring bond data
201: ok 1732 # SSSR size matches reference
201: ok 1733 # correct SSSR count
201: ok 1734 # ring membership passed
201: ok 1735 # correct SSSR count
201: ok 1736 # ring membership passed
201: ok 1737 # correct SSSR count
201: ok 1738 # ring membership passed
201: ok 1739 # correct SSSR count
201: ok 1740 # ring membership passed
201: ok 1741 # correct SSSR count
201: ok 1742 # ring membership passed
201: ok 1743 # correct SSSR count
201: ok 1744 # ring membership passed
201: ok 1745 # correct SSSR count
201: ok 1746 # ring membership passed
201: ok 1747 # correct SSSR count
201: ok 1748 # ring membership passed
201: ok 1749 # correct SSSR count
201: ok 1750 # ring membership passed
201: ok 1751 # correct SSSR count
201: ok 1752 # ring membership passed
201: ok 1753 # correct SSSR count
201: ok 1754 # ring membership passed
201: ok 1755 # correct SSSR count
201: ok 1756 # ring membership passed
201: ok 1757 # correct SSSR count
201: ok 1758 # ring membership passed
201: ok 1759 # correct SSSR count
201: ok 1760 # ring membership passed
201: ok 1761 # correct SSSR count
201: ok 1762 # ring membership passed
201: ok 1763 # correct SSSR count
201: ok 1764 # ring membership passed
201: ok 1765 # correct SSSR count
201: ok 1766 # ring membership passed
201: ok 1767 # correct SSSR count
201: ok 1768 # ring membership passed
201: ok 1769 # correct SSSR count
201: ok 1770 # ring membership passed
201: ok 1771 # correct SSSR count
201: ok 1772 # ring membership passed
201: ok 1773 # correct SSSR count
201: ok 1774 # ring membership passed
201: ok 1775 # correct ring bond data
201: ok 1776 # correct ring bond data
201: ok 1777 # correct ring bond data
201: ok 1778 # correct ring bond data
201: ok 1779 # correct ring bond data
201: ok 1780 # correct ring bond data
201: ok 1781 # correct ring bond data
201: ok 1782 # correct ring bond data
201: ok 1783 # correct ring bond data
201: ok 1784 # correct ring bond data
201: ok 1785 # correct ring bond data
201: ok 1786 # correct ring bond data
201: ok 1787 # correct ring bond data
201: ok 1788 # correct ring bond data
201: ok 1789 # correct ring bond data
201: ok 1790 # correct ring bond data
201: ok 1791 # SSSR size matches reference
201: ok 1792 # correct SSSR count
201: ok 1793 # ring membership passed
201: ok 1794 # correct SSSR count
201: ok 1795 # ring membership passed
201: ok 1796 # correct SSSR count
201: ok 1797 # ring membership passed
201: ok 1798 # correct SSSR count
201: ok 1799 # ring membership passed
201: ok 1800 # correct SSSR count
201: ok 1801 # ring membership passed
201: ok 1802 # correct SSSR count
201: ok 1803 # ring membership passed
201: ok 1804 # correct SSSR count
201: ok 1805 # ring membership passed
201: ok 1806 # correct SSSR count
201: ok 1807 # ring membership passed
201: ok 1808 # correct SSSR count
201: ok 1809 # ring membership passed
201: ok 1810 # correct SSSR count
201: ok 1811 # ring membership passed
201: ok 1812 # correct SSSR count
201: ok 1813 # ring membership passed
201: ok 1814 # correct SSSR count
201: ok 1815 # ring membership passed
201: ok 1816 # correct SSSR count
201: ok 1817 # ring membership passed
201: ok 1818 # correct SSSR count
201: ok 1819 # ring membership passed
201: ok 1820 # correct SSSR count
201: ok 1821 # ring membership passed
201: ok 1822 # correct SSSR count
201: ok 1823 # ring membership passed
201: ok 1824 # correct ring bond data
201: ok 1825 # correct ring bond data
201: ok 1826 # correct ring bond data
201: ok 1827 # correct ring bond data
201: ok 1828 # correct ring bond data
201: ok 1829 # correct ring bond data
201: ok 1830 # correct ring bond data
201: ok 1831 # correct ring bond data
201: ok 1832 # correct ring bond data
201: ok 1833 # correct ring bond data
201: ok 1834 # correct ring bond data
201: ok 1835 # correct ring bond data
201: ok 1836 # correct ring bond data
201: ok 1837 # correct ring bond data
201: ok 1838 # correct ring bond data
201: ok 1839 # correct ring bond data
201: ok 1840 # SSSR size matches reference
201: ok 1841 # correct SSSR count
201: ok 1842 # ring membership passed
201: ok 1843 # correct SSSR count
201: ok 1844 # ring membership passed
201: ok 1845 # correct SSSR count
201: ok 1846 # ring membership passed
201: ok 1847 # correct SSSR count
201: ok 1848 # ring membership passed
201: ok 1849 # correct SSSR count
201: ok 1850 # ring membership passed
201: ok 1851 # correct SSSR count
201: ok 1852 # ring membership passed
201: ok 1853 # correct SSSR count
201: ok 1854 # ring membership passed
201: ok 1855 # correct SSSR count
201: ok 1856 # ring membership passed
201: ok 1857 # correct SSSR count
201: ok 1858 # ring membership passed
201: ok 1859 # correct SSSR count
201: ok 1860 # ring membership passed
201: ok 1861 # correct SSSR count
201: ok 1862 # ring membership passed
201: ok 1863 # correct SSSR count
201: ok 1864 # ring membership passed
201: ok 1865 # correct SSSR count
201: ok 1866 # ring membership passed
201: ok 1867 # correct SSSR count
201: ok 1868 # ring membership passed
201: ok 1869 # correct SSSR count
201: ok 1870 # ring membership passed
201: ok 1871 # correct SSSR count
201: ok 1872 # ring membership passed
201: ok 1873 # correct ring bond data
201: ok 1874 # correct ring bond data
201: ok 1875 # correct ring bond data
201: ok 1876 # correct ring bond data
201: ok 1877 # correct ring bond data
201: ok 1878 # correct ring bond data
201: ok 1879 # correct ring bond data
201: ok 1880 # correct ring bond data
201: ok 1881 # correct ring bond data
201: ok 1882 # correct ring bond data
201: ok 1883 # correct ring bond data
201: ok 1884 # correct ring bond data
201: ok 1885 # correct ring bond data
201: ok 1886 # correct ring bond data
201: ok 1887 # correct ring bond data
201: ok 1888 # correct ring bond data
201: ok 1889 # SSSR size matches reference
201: ok 1890 # correct SSSR count
201: ok 1891 # ring membership passed
201: ok 1892 # correct SSSR count
201: ok 1893 # ring membership passed
201: ok 1894 # correct SSSR count
201: ok 1895 # ring membership passed
201: ok 1896 # correct SSSR count
201: ok 1897 # ring membership passed
201: ok 1898 # correct SSSR count
201: ok 1899 # ring membership passed
201: ok 1900 # correct SSSR count
201: ok 1901 # ring membership passed
201: ok 1902 # correct SSSR count
201: ok 1903 # ring membership passed
201: ok 1904 # correct SSSR count
201: ok 1905 # ring membership passed
201: ok 1906 # correct SSSR count
201: ok 1907 # ring membership passed
201: ok 1908 # correct SSSR count
201: ok 1909 # ring membership passed
201: ok 1910 # correct SSSR count
201: ok 1911 # ring membership passed
201: ok 1912 # correct SSSR count
201: ok 1913 # ring membership passed
201: ok 1914 # correct SSSR count
201: ok 1915 # ring membership passed
201: ok 1916 # correct SSSR count
201: ok 1917 # ring membership passed
201: ok 1918 # correct SSSR count
201: ok 1919 # ring membership passed
201: ok 1920 # correct SSSR count
201: ok 1921 # ring membership passed
201: ok 1922 # correct ring bond data
201: ok 1923 # correct ring bond data
201: ok 1924 # correct ring bond data
201: ok 1925 # correct ring bond data
201: ok 1926 # correct ring bond data
201: ok 1927 # correct ring bond data
201: ok 1928 # correct ring bond data
201: ok 1929 # correct ring bond data
201: ok 1930 # correct ring bond data
201: ok 1931 # correct ring bond data
201: ok 1932 # correct ring bond data
201: ok 1933 # correct ring bond data
201: ok 1934 # correct ring bond data
201: ok 1935 # correct ring bond data
201: ok 1936 # correct ring bond data
201: ok 1937 # correct ring bond data
201: ok 1938 # SSSR size matches reference
201: ok 1939 # correct SSSR count
201: ok 1940 # ring membership passed
201: ok 1941 # correct SSSR count
201: ok 1942 # ring membership passed
201: ok 1943 # correct SSSR count
201: ok 1944 # ring membership passed
201: ok 1945 # correct SSSR count
201: ok 1946 # ring membership passed
201: ok 1947 # correct SSSR count
201: ok 1948 # ring membership passed
201: ok 1949 # correct SSSR count
201: ok 1950 # ring membership passed
201: ok 1951 # correct SSSR count
201: ok 1952 # ring membership passed
201: ok 1953 # correct SSSR count
201: ok 1954 # ring membership passed
201: ok 1955 # correct SSSR count
201: ok 1956 # ring membership passed
201: ok 1957 # correct SSSR count
201: ok 1958 # ring membership passed
201: ok 1959 # correct SSSR count
201: ok 1960 # ring membership passed
201: ok 1961 # correct SSSR count
201: ok 1962 # ring membership passed
201: ok 1963 # correct SSSR count
201: ok 1964 # ring membership passed
201: ok 1965 # correct SSSR count
201: ok 1966 # ring membership passed
201: ok 1967 # correct SSSR count
201: ok 1968 # ring membership passed
201: ok 1969 # correct SSSR count
201: ok 1970 # ring membership passed
201: ok 1971 # correct ring bond data
201: ok 1972 # correct ring bond data
201: ok 1973 # correct ring bond data
201: ok 1974 # correct ring bond data
201: ok 1975 # correct ring bond data
201: ok 1976 # correct ring bond data
201: ok 1977 # correct ring bond data
201: ok 1978 # correct ring bond data
201: ok 1979 # correct ring bond data
201: ok 1980 # correct ring bond data
201: ok 1981 # correct ring bond data
201: ok 1982 # correct ring bond data
201: ok 1983 # correct ring bond data
201: ok 1984 # correct ring bond data
201: ok 1985 # correct ring bond data
201: ok 1986 # correct ring bond data
201: ok 1987 # correct ring bond data
201: ok 1988 # correct ring bond data
201: ok 1989 # correct ring bond data
201: ok 1990 # SSSR size matches reference
201: ok 1991 # correct SSSR count
201: ok 1992 # ring membership passed
201: ok 1993 # correct SSSR count
201: ok 1994 # ring membership passed
201: ok 1995 # correct SSSR count
201: ok 1996 # ring membership passed
201: ok 1997 # correct SSSR count
201: ok 1998 # ring membership passed
201: ok 1999 # correct SSSR count
201: ok 2000 # ring membership passed
201: ok 2001 # correct SSSR count
201: ok 2002 # ring membership passed
201: ok 2003 # correct SSSR count
201: ok 2004 # ring membership passed
201: ok 2005 # correct SSSR count
201: ok 2006 # ring membership passed
201: ok 2007 # correct SSSR count
201: ok 2008 # ring membership passed
201: ok 2009 # correct SSSR count
201: ok 2010 # ring membership passed
201: ok 2011 # correct SSSR count
201: ok 2012 # ring membership passed
201: ok 2013 # correct SSSR count
201: ok 2014 # ring membership passed
201: ok 2015 # correct SSSR count
201: ok 2016 # ring membership passed
201: ok 2017 # correct SSSR count
201: ok 2018 # ring membership passed
201: ok 2019 # correct SSSR count
201: ok 2020 # ring membership passed
201: ok 2021 # correct SSSR count
201: ok 2022 # ring membership passed
201: ok 2023 # correct SSSR count
201: ok 2024 # ring membership passed
201: ok 2025 # correct SSSR count
201: ok 2026 # ring membership passed
201: ok 2027 # correct ring bond data
201: ok 2028 # correct ring bond data
201: ok 2029 # correct ring bond data
201: ok 2030 # correct ring bond data
201: ok 2031 # correct ring bond data
201: ok 2032 # correct ring bond data
201: ok 2033 # correct ring bond data
201: ok 2034 # correct ring bond data
201: ok 2035 # correct ring bond data
201: ok 2036 # correct ring bond data
201: ok 2037 # correct ring bond data
201: ok 2038 # correct ring bond data
201: ok 2039 # correct ring bond data
201: ok 2040 # correct ring bond data
201: ok 2041 # correct ring bond data
201: ok 2042 # correct ring bond data
201: ok 2043 # correct ring bond data
201: ok 2044 # correct ring bond data
201: ok 2045 # correct ring bond data
201: ok 2046 # SSSR size matches reference
201: ok 2047 # correct SSSR count
201: ok 2048 # ring membership passed
201: ok 2049 # correct SSSR count
201: ok 2050 # ring membership passed
201: ok 2051 # correct SSSR count
201: ok 2052 # ring membership passed
201: ok 2053 # correct SSSR count
201: ok 2054 # ring membership passed
201: ok 2055 # correct SSSR count
201: ok 2056 # ring membership passed
201: ok 2057 # correct SSSR count
201: ok 2058 # ring membership passed
201: ok 2059 # correct SSSR count
201: ok 2060 # ring membership passed
201: ok 2061 # correct SSSR count
201: ok 2062 # ring membership passed
201: ok 2063 # correct SSSR count
201: ok 2064 # ring membership passed
201: ok 2065 # correct SSSR count
201: ok 2066 # ring membership passed
201: ok 2067 # correct SSSR count
201: ok 2068 # ring membership passed
201: ok 2069 # correct SSSR count
201: ok 2070 # ring membership passed
201: ok 2071 # correct SSSR count
201: ok 2072 # ring membership passed
201: ok 2073 # correct SSSR count
201: ok 2074 # ring membership passed
201: ok 2075 # correct SSSR count
201: ok 2076 # ring membership passed
201: ok 2077 # correct SSSR count
201: ok 2078 # ring membership passed
201: ok 2079 # correct SSSR count
201: ok 2080 # ring membership passed
201: ok 2081 # correct ring bond data
201: ok 2082 # correct ring bond data
201: ok 2083 # correct ring bond data
201: ok 2084 # correct ring bond data
201: ok 2085 # correct ring bond data
201: ok 2086 # correct ring bond data
201: ok 2087 # correct ring bond data
201: ok 2088 # correct ring bond data
201: ok 2089 # correct ring bond data
201: ok 2090 # correct ring bond data
201: ok 2091 # correct ring bond data
201: ok 2092 # correct ring bond data
201: ok 2093 # correct ring bond data
201: ok 2094 # correct ring bond data
201: ok 2095 # correct ring bond data
201: ok 2096 # correct ring bond data
201: ok 2097 # correct ring bond data
201: ok 2098 # correct ring bond data
201: ok 2099 # correct ring bond data
201: ok 2100 # correct ring bond data
201: ok 2101 # correct ring bond data
201: ok 2102 # correct ring bond data
201: ok 2103 # correct ring bond data
201: ok 2104 # correct ring bond data
201: ok 2105 # correct ring bond data
201: ok 2106 # correct ring bond data
201: ok 2107 # correct ring bond data
201: ok 2108 # SSSR size matches reference
201: ok 2109 # correct SSSR count
201: ok 2110 # ring membership passed
201: ok 2111 # correct SSSR count
201: ok 2112 # ring membership passed
201: ok 2113 # correct SSSR count
201: ok 2114 # ring membership passed
201: ok 2115 # correct SSSR count
201: ok 2116 # ring membership passed
201: ok 2117 # correct SSSR count
201: ok 2118 # ring membership passed
201: ok 2119 # correct SSSR count
201: ok 2120 # ring membership passed
201: ok 2121 # correct SSSR count
201: ok 2122 # ring membership passed
201: ok 2123 # correct SSSR count
201: ok 2124 # ring membership passed
201: ok 2125 # correct SSSR count
201: ok 2126 # ring membership passed
201: ok 2127 # correct SSSR count
201: ok 2128 # ring membership passed
201: ok 2129 # correct SSSR count
201: ok 2130 # ring membership passed
201: ok 2131 # correct SSSR count
201: ok 2132 # ring membership passed
201: ok 2133 # correct SSSR count
201: ok 2134 # ring membership passed
201: ok 2135 # correct SSSR count
201: ok 2136 # ring membership passed
201: ok 2137 # correct SSSR count
201: ok 2138 # ring membership passed
201: ok 2139 # correct SSSR count
201: ok 2140 # ring membership passed
201: ok 2141 # correct SSSR count
201: ok 2142 # ring membership passed
201: ok 2143 # correct SSSR count
201: ok 2144 # ring membership passed
201: ok 2145 # correct SSSR count
201: ok 2146 # ring membership passed
201: ok 2147 # correct SSSR count
201: ok 2148 # ring membership passed
201: ok 2149 # correct SSSR count
201: ok 2150 # ring membership passed
201: ok 2151 # correct SSSR count
201: ok 2152 # ring membership passed
201: ok 2153 # correct SSSR count
201: ok 2154 # ring membership passed
201: ok 2155 # correct SSSR count
201: ok 2156 # ring membership passed
201: ok 2157 # correct SSSR count
201: ok 2158 # ring membership passed
201: ok 2159 # correct SSSR count
201: ok 2160 # ring membership passed
201: ok 2161 # correct ring bond data
201: ok 2162 # correct ring bond data
201: ok 2163 # correct ring bond data
201: ok 2164 # correct ring bond data
201: ok 2165 # correct ring bond data
201: ok 2166 # correct ring bond data
201: ok 2167 # correct ring bond data
201: ok 2168 # correct ring bond data
201: ok 2169 # correct ring bond data
201: ok 2170 # correct ring bond data
201: ok 2171 # correct ring bond data
201: ok 2172 # correct ring bond data
201: ok 2173 # correct ring bond data
201: ok 2174 # correct ring bond data
201: ok 2175 # correct ring bond data
201: ok 2176 # correct ring bond data
201: ok 2177 # correct ring bond data
201: ok 2178 # correct ring bond data
201: ok 2179 # correct ring bond data
201: ok 2180 # correct ring bond data
201: ok 2181 # SSSR size matches reference
201: ok 2182 # correct SSSR count
201: ok 2183 # ring membership passed
201: ok 2184 # correct SSSR count
201: ok 2185 # ring membership passed
201: ok 2186 # correct SSSR count
201: ok 2187 # ring membership passed
201: ok 2188 # correct SSSR count
201: ok 2189 # ring membership passed
201: ok 2190 # correct SSSR count
201: ok 2191 # ring membership passed
201: ok 2192 # correct SSSR count
201: ok 2193 # ring membership passed
201: ok 2194 # correct SSSR count
201: ok 2195 # ring membership passed
201: ok 2196 # correct SSSR count
201: ok 2197 # ring membership passed
201: ok 2198 # correct SSSR count
201: ok 2199 # ring membership passed
201: ok 2200 # correct SSSR count
201: ok 2201 # ring membership passed
201: ok 2202 # correct SSSR count
201: ok 2203 # ring membership passed
201: ok 2204 # correct SSSR count
201: ok 2205 # ring membership passed
201: ok 2206 # correct SSSR count
201: ok 2207 # ring membership passed
201: ok 2208 # correct SSSR count
201: ok 2209 # ring membership passed
201: ok 2210 # correct SSSR count
201: ok 2211 # ring membership passed
201: ok 2212 # correct SSSR count
201: ok 2213 # ring membership passed
201: ok 2214 # correct SSSR count
201: ok 2215 # ring membership passed
201: ok 2216 # correct SSSR count
201: ok 2217 # ring membership passed
201: ok 2218 # correct SSSR count
201: ok 2219 # ring membership passed
201: ok 2220 # correct ring bond data
201: ok 2221 # correct ring bond data
201: ok 2222 # correct ring bond data
201: ok 2223 # correct ring bond data
201: ok 2224 # correct ring bond data
201: ok 2225 # correct ring bond data
201: ok 2226 # correct ring bond data
201: ok 2227 # correct ring bond data
201: ok 2228 # correct ring bond data
201: ok 2229 # correct ring bond data
201: ok 2230 # correct ring bond data
201: ok 2231 # correct ring bond data
201: ok 2232 # correct ring bond data
201: ok 2233 # correct ring bond data
201: ok 2234 # correct ring bond data
201: ok 2235 # correct ring bond data
201: ok 2236 # correct ring bond data
201: ok 2237 # correct ring bond data
201: ok 2238 # correct ring bond data
201: ok 2239 # correct ring bond data
201: ok 2240 # SSSR size matches reference
201: ok 2241 # correct SSSR count
201: ok 2242 # ring membership passed
201: ok 2243 # correct SSSR count
201: ok 2244 # ring membership passed
201: ok 2245 # correct SSSR count
201: ok 2246 # ring membership passed
201: ok 2247 # correct SSSR count
201: ok 2248 # ring membership passed
201: ok 2249 # correct SSSR count
201: ok 2250 # ring membership passed
201: ok 2251 # correct SSSR count
201: ok 2252 # ring membership passed
201: ok 2253 # correct SSSR count
201: ok 2254 # ring membership passed
201: ok 2255 # correct SSSR count
201: ok 2256 # ring membership passed
201: ok 2257 # correct SSSR count
201: ok 2258 # ring membership passed
201: ok 2259 # correct SSSR count
201: ok 2260 # ring membership passed
201: ok 2261 # correct SSSR count
201: ok 2262 # ring membership passed
201: ok 2263 # correct SSSR count
201: ok 2264 # ring membership passed
201: ok 2265 # correct SSSR count
201: ok 2266 # ring membership passed
201: ok 2267 # correct SSSR count
201: ok 2268 # ring membership passed
201: ok 2269 # correct SSSR count
201: ok 2270 # ring membership passed
201: ok 2271 # correct SSSR count
201: ok 2272 # ring membership passed
201: ok 2273 # correct SSSR count
201: ok 2274 # ring membership passed
201: ok 2275 # correct SSSR count
201: ok 2276 # ring membership passed
201: ok 2277 # correct SSSR count
201: ok 2278 # ring membership passed
201: ok 2279 # correct ring bond data
201: ok 2280 # correct ring bond data
201: ok 2281 # correct ring bond data
201: ok 2282 # correct ring bond data
201: ok 2283 # correct ring bond data
201: ok 2284 # correct ring bond data
201: ok 2285 # correct ring bond data
201: ok 2286 # correct ring bond data
201: ok 2287 # correct ring bond data
201: ok 2288 # correct ring bond data
201: ok 2289 # correct ring bond data
201: ok 2290 # correct ring bond data
201: ok 2291 # correct ring bond data
201: ok 2292 # correct ring bond data
201: ok 2293 # correct ring bond data
201: ok 2294 # correct ring bond data
201: ok 2295 # correct ring bond data
201: ok 2296 # correct ring bond data
201: ok 2297 # correct ring bond data
201: ok 2298 # SSSR size matches reference
201: ok 2299 # correct SSSR count
201: ok 2300 # ring membership passed
201: ok 2301 # correct SSSR count
201: ok 2302 # ring membership passed
201: ok 2303 # correct SSSR count
201: ok 2304 # ring membership passed
201: ok 2305 # correct SSSR count
201: ok 2306 # ring membership passed
201: ok 2307 # correct SSSR count
201: ok 2308 # ring membership passed
201: ok 2309 # correct SSSR count
201: ok 2310 # ring membership passed
201: ok 2311 # correct SSSR count
201: ok 2312 # ring membership passed
201: ok 2313 # correct SSSR count
201: ok 2314 # ring membership passed
201: ok 2315 # correct SSSR count
201: ok 2316 # ring membership passed
201: ok 2317 # correct SSSR count
201: ok 2318 # ring membership passed
201: ok 2319 # correct SSSR count
201: ok 2320 # ring membership passed
201: ok 2321 # correct SSSR count
201: ok 2322 # ring membership passed
201: ok 2323 # correct SSSR count
201: ok 2324 # ring membership passed
201: ok 2325 # correct SSSR count
201: ok 2326 # ring membership passed
201: ok 2327 # correct SSSR count
201: ok 2328 # ring membership passed
201: ok 2329 # correct SSSR count
201: ok 2330 # ring membership passed
201: ok 2331 # correct SSSR count
201: ok 2332 # ring membership passed
201: ok 2333 # correct SSSR count
201: ok 2334 # ring membership passed
201: ok 2335 # correct ring bond data
201: ok 2336 # correct ring bond data
201: ok 2337 # correct ring bond data
201: ok 2338 # correct ring bond data
201: ok 2339 # correct ring bond data
201: ok 2340 # correct ring bond data
201: ok 2341 # correct ring bond data
201: ok 2342 # correct ring bond data
201: ok 2343 # correct ring bond data
201: ok 2344 # correct ring bond data
201: ok 2345 # correct ring bond data
201: ok 2346 # correct ring bond data
201: ok 2347 # correct ring bond data
201: ok 2348 # correct ring bond data
201: ok 2349 # correct ring bond data
201: ok 2350 # correct ring bond data
201: ok 2351 # SSSR size matches reference
201: ok 2352 # correct SSSR count
201: ok 2353 # ring membership passed
201: ok 2354 # correct SSSR count
201: ok 2355 # ring membership passed
201: ok 2356 # correct SSSR count
201: ok 2357 # ring membership passed
201: ok 2358 # correct SSSR count
201: ok 2359 # ring membership passed
201: ok 2360 # correct SSSR count
201: ok 2361 # ring membership passed
201: ok 2362 # correct SSSR count
201: ok 2363 # ring membership passed
201: ok 2364 # correct SSSR count
201: ok 2365 # ring membership passed
201: ok 2366 # correct SSSR count
201: ok 2367 # ring membership passed
201: ok 2368 # correct SSSR count
201: ok 2369 # ring membership passed
201: ok 2370 # correct SSSR count
201: ok 2371 # ring membership passed
201: ok 2372 # correct SSSR count
201: ok 2373 # ring membership passed
201: ok 2374 # correct SSSR count
201: ok 2375 # ring membership passed
201: ok 2376 # correct SSSR count
201: ok 2377 # ring membership passed
201: ok 2378 # correct SSSR count
201: ok 2379 # ring membership passed
201: ok 2380 # correct SSSR count
201: ok 2381 # ring membership passed
201: ok 2382 # correct ring bond data
201: ok 2383 # correct ring bond data
201: ok 2384 # correct ring bond data
201: ok 2385 # correct ring bond data
201: ok 2386 # correct ring bond data
201: ok 2387 # correct ring bond data
201: ok 2388 # correct ring bond data
201: ok 2389 # correct ring bond data
201: ok 2390 # correct ring bond data
201: ok 2391 # correct ring bond data
201: ok 2392 # correct ring bond data
201: ok 2393 # correct ring bond data
201: ok 2394 # correct ring bond data
201: ok 2395 # correct ring bond data
201: ok 2396 # correct ring bond data
201: ok 2397 # correct ring bond data
201: ok 2398 # SSSR size matches reference
201: ok 2399 # correct SSSR count
201: ok 2400 # ring membership passed
201: ok 2401 # correct SSSR count
201: ok 2402 # ring membership passed
201: ok 2403 # correct SSSR count
201: ok 2404 # ring membership passed
201: ok 2405 # correct SSSR count
201: ok 2406 # ring membership passed
201: ok 2407 # correct SSSR count
201: ok 2408 # ring membership passed
201: ok 2409 # correct SSSR count
201: ok 2410 # ring membership passed
201: ok 2411 # correct SSSR count
201: ok 2412 # ring membership passed
201: ok 2413 # correct SSSR count
201: ok 2414 # ring membership passed
201: ok 2415 # correct SSSR count
201: ok 2416 # ring membership passed
201: ok 2417 # correct SSSR count
201: ok 2418 # ring membership passed
201: ok 2419 # correct SSSR count
201: ok 2420 # ring membership passed
201: ok 2421 # correct SSSR count
201: ok 2422 # ring membership passed
201: ok 2423 # correct SSSR count
201: ok 2424 # ring membership passed
201: ok 2425 # correct SSSR count
201: ok 2426 # ring membership passed
201: ok 2427 # correct SSSR count
201: ok 2428 # ring membership passed
201: ok 2429 # correct ring bond data
201: ok 2430 # correct ring bond data
201: ok 2431 # correct ring bond data
201: ok 2432 # correct ring bond data
201: ok 2433 # correct ring bond data
201: ok 2434 # correct ring bond data
201: ok 2435 # correct ring bond data
201: ok 2436 # correct ring bond data
201: ok 2437 # correct ring bond data
201: ok 2438 # correct ring bond data
201: ok 2439 # correct ring bond data
201: ok 2440 # correct ring bond data
201: ok 2441 # correct ring bond data
201: ok 2442 # correct ring bond data
201: ok 2443 # correct ring bond data
201: ok 2444 # correct ring bond data
201: ok 2445 # correct ring bond data
201: ok 2446 # correct ring bond data
201: ok 2447 # correct ring bond data
201: ok 2448 # SSSR size matches reference
201: ok 2449 # correct SSSR count
201: ok 2450 # ring membership passed
201: ok 2451 # correct SSSR count
201: ok 2452 # ring membership passed
201: ok 2453 # correct SSSR count
201: ok 2454 # ring membership passed
201: ok 2455 # correct SSSR count
201: ok 2456 # ring membership passed
201: ok 2457 # correct SSSR count
201: ok 2458 # ring membership passed
201: ok 2459 # correct SSSR count
201: ok 2460 # ring membership passed
201: ok 2461 # correct SSSR count
201: ok 2462 # ring membership passed
201: ok 2463 # correct SSSR count
201: ok 2464 # ring membership passed
201: ok 2465 # correct SSSR count
201: ok 2466 # ring membership passed
201: ok 2467 # correct SSSR count
201: ok 2468 # ring membership passed
201: ok 2469 # correct SSSR count
201: ok 2470 # ring membership passed
201: ok 2471 # correct SSSR count
201: ok 2472 # ring membership passed
201: ok 2473 # correct SSSR count
201: ok 2474 # ring membership passed
201: ok 2475 # correct SSSR count
201: ok 2476 # ring membership passed
201: ok 2477 # correct SSSR count
201: ok 2478 # ring membership passed
201: ok 2479 # correct SSSR count
201: ok 2480 # ring membership passed
201: ok 2481 # correct SSSR count
200: ok 29 # found ligand, not residue c1ccccc1
200: ok 30 # found ligand, not residue c1cccn[H]1
200: ok 31 # found ligand, not residue CC(=O)CCN
200: ok 32 # ALA VAL
200: ok 33 # CYS LEU
200: 1..33
201: ok 2482 # ring membership passed
201: ok 2483 # correct SSSR count
201: ok 2484 # ring membership passed
201: ok 2485 # correct ring bond data
201: ok 2486 # correct ring bond data
201: ok 2487 # correct ring bond data
201: ok 2488 # correct ring bond data
201: ok 2489 # correct ring bond data
201: ok 2490 # correct ring bond data
201: ok 2491 # correct ring bond data
201: ok 2492 # correct ring bond data
201: ok 2493 # correct ring bond data
201: ok 2494 # correct ring bond data
201: ok 2495 # correct ring bond data
201: ok 2496 # correct ring bond data
201: ok 2497 # correct ring bond data
201: ok 2498 # correct ring bond data
201: ok 2499 # correct ring bond data
201: ok 2500 # correct ring bond data
201: ok 2501 # correct ring bond data
201: ok 2502 # correct ring bond data
201: ok 2503 # correct ring bond data
201: ok 2504 # correct ring bond data
201: ok 2505 # SSSR size matches reference
201: ok 2506 # correct SSSR count
201: ok 2507 # ring membership passed
201: ok 2508 # correct SSSR count
201: ok 2509 # ring membership passed
201: ok 2510 # correct SSSR count
201: ok 2511 # ring membership passed
201: ok 2512 # correct SSSR count
201: ok 2513 # ring membership passed
201: ok 2514 # correct SSSR count
201: ok 2515 # ring membership passed
201: ok 2516 # correct SSSR count
201: ok 2517 # ring membership passed
201: ok 2518 # correct SSSR count
201: ok 2519 # ring membership passed
201: ok 2520 # correct SSSR count
201: ok 2521 # ring membership passed
201: ok 2522 # correct SSSR count
201: ok 2523 # ring membership passed
201: ok 2524 # correct SSSR count
201: ok 2525 # ring membership passed
201: ok 2526 # correct SSSR count
201: ok 2527 # ring membership passed
201: ok 2528 # correct SSSR count
201: ok 2529 # ring membership passed
201: ok 2530 # correct SSSR count
201: ok 2531 # ring membership passed
201: ok 2532 # correct SSSR count
201: ok 2533 # ring membership passed
201: ok 2534 # correct SSSR count
201: ok 2535 # ring membership passed
201: ok 2536 # correct SSSR count
201: ok 2537 # ring membership passed
201: ok 2538 # correct SSSR count
201: ok 2539 # ring membership passed
201: ok 2540 # correct SSSR count
201: ok 2541 # ring membership passed
201: ok 2542 # correct SSSR count
201: ok 2543 # ring membership passed
201: ok 2544 # correct SSSR count
201: ok 2545 # ring membership passed
201: ok 2546 # correct ring bond data
201: ok 2547 # correct ring bond data
201: ok 2548 # correct ring bond data
201: ok 2549 # correct ring bond data
201: ok 2550 # correct ring bond data
201: ok 2551 # correct ring bond data
201: ok 2552 # correct ring bond data
201: ok 2553 # correct ring bond data
201: ok 2554 # correct ring bond data
201: ok 2555 # correct ring bond data
201: ok 2556 # correct ring bond data
201: ok 2557 # correct ring bond data
201: ok 2558 # correct ring bond data
201: ok 2559 # correct ring bond data
201: ok 2560 # correct ring bond data
201: ok 2561 # SSSR size matches reference
201: ok 2562 # correct SSSR count
201: ok 2563 # ring membership passed
201: ok 2564 # correct SSSR count
201: ok 2565 # ring membership passed
201: ok 2566 # correct SSSR count
201: ok 2567 # ring membership passed
201: ok 2568 # correct SSSR count
201: ok 2569 # ring membership passed
201: ok 2570 # correct SSSR count
201: ok 2571 # ring membership passed
201: ok 2572 # correct SSSR count
201: ok 2573 # ring membership passed
201: ok 2574 # correct SSSR count
201: ok 2575 # ring membership passed
201: ok 2576 # correct SSSR count
201: ok 2577 # ring membership passed
201: ok 2578 # correct SSSR count
201: ok 2579 # ring membership passed
201: ok 2580 # correct SSSR count
201: ok 2581 # ring membership passed
201: ok 2582 # correct SSSR count
201: ok 2583 # ring membership passed
201: ok 2584 # correct SSSR count
201: ok 2585 # ring membership passed
201: ok 2586 # correct SSSR count
201: ok 2587 # ring membership passed
201: ok 2588 # correct SSSR count
201: ok 2589 # ring membership passed
201: ok 2590 # correct ring bond data
201: ok 2591 # correct ring bond data
201: ok 2592 # correct ring bond data
201: ok 2593 # correct ring bond data
201: ok 2594 # correct ring bond data
201: ok 2595 # correct ring bond data
201: ok 2596 # correct ring bond data
201: ok 2597 # correct ring bond data
201: ok 2598 # correct ring bond data
201: ok 2599 # correct ring bond data
201: ok 2600 # correct ring bond data
201: ok 2601 # correct ring bond data
201: ok 2602 # correct ring bond data
201: ok 2603 # correct ring bond data
201: ok 2604 # correct ring bond data
201: ok 2605 # correct ring bond data
201: ok 2606 # correct ring bond data
201: ok 2607 # correct ring bond data
201: ok 2608 # correct ring bond data
201: ok 2609 # correct ring bond data
201: ok 2610 # correct ring bond data
201: ok 2611 # correct ring bond data
201: ok 2612 # SSSR size matches reference
201: ok 2613 # correct SSSR count
201: ok 2614 # ring membership passed
201: ok 2615 # correct SSSR count
201: ok 2616 # ring membership passed
201: ok 2617 # correct SSSR count
201: ok 2618 # ring membership passed
201: ok 2619 # correct SSSR count
201: ok 2620 # ring membership passed
201: ok 2621 # correct SSSR count
201: ok 2622 # ring membership passed
201: ok 2623 # correct SSSR count
201: ok 2624 # ring membership passed
201: ok 2625 # correct SSSR count
201: ok 2626 # ring membership passed
201: ok 2627 # correct SSSR count
201: ok 2628 # ring membership passed
201: ok 2629 # correct SSSR count
201: ok 2630 # ring membership passed
201: ok 2631 # correct SSSR count
201: ok 2632 # ring membership passed
201: ok 2633 # correct SSSR count
201: ok 2634 # ring membership passed
201: ok 2635 # correct SSSR count
201: ok 2636 # ring membership passed
201: ok 2637 # correct SSSR count
201: ok 2638 # ring membership passed
201: ok 2639 # correct SSSR count
201: ok 2640 # ring membership passed
201: ok 2641 # correct SSSR count
201: ok 2642 # ring membership passed
201: ok 2643 # correct SSSR count
201: ok 2644 # ring membership passed
201: ok 2645 # correct SSSR count
201: ok 2646 # ring membership passed
201: ok 2647 # correct SSSR count
201: ok 2648 # ring membership passed
201: ok 2649 # correct SSSR count
201: ok 2650 # ring membership passed
201: ok 2651 # correct SSSR count
201: ok 2652 # ring membership passed
201: ok 2653 # correct ring bond data
201: ok 2654 # correct ring bond data
201: ok 2655 # correct ring bond data
201: ok 2656 # correct ring bond data
201: ok 2657 # correct ring bond data
201: ok 2658 # correct ring bond data
201: ok 2659 # correct ring bond data
201: ok 2660 # correct ring bond data
201: ok 2661 # correct ring bond data
201: ok 2662 # correct ring bond data
201: ok 2663 # correct ring bond data
201: ok 2664 # correct ring bond data
201: ok 2665 # correct ring bond data
201: ok 2666 # correct ring bond data
201: ok 2667 # correct ring bond data
201: ok 2668 # correct ring bond data
201: ok 2669 # correct ring bond data
201: ok 2670 # correct ring bond data
201: ok 2671 # correct ring bond data
201: ok 2672 # correct ring bond data
201: ok 2673 # correct ring bond data
201: ok 2674 # correct ring bond data
201: ok 2675 # SSSR size matches reference
201: ok 2676 # correct SSSR count
201: ok 2677 # ring membership passed
201: ok 2678 # correct SSSR count
201: ok 2679 # ring membership passed
201: ok 2680 # correct SSSR count
201: ok 2681 # ring membership passed
201: ok 2682 # correct SSSR count
201: ok 2683 # ring membership passed
201: ok 2684 # correct SSSR count
201: ok 2685 # ring membership passed
201: ok 2686 # correct SSSR count
201: ok 2687 # ring membership passed
201: ok 2688 # correct SSSR count
201: ok 2689 # ring membership passed
201: ok 2690 # correct SSSR count
201: ok 2691 # ring membership passed
201: ok 2692 # correct SSSR count
201: ok 2693 # ring membership passed
201: ok 2694 # correct SSSR count
201: ok 2695 # ring membership passed
201: ok 2696 # correct SSSR count
201: ok 2697 # ring membership passed
201: ok 2698 # correct SSSR count
201: ok 2699 # ring membership passed
201: ok 2700 # correct SSSR count
201: ok 2701 # ring membership passed
201: ok 2702 # correct SSSR count
201: ok 2703 # ring membership passed
201: ok 2704 # correct SSSR count
201: ok 2705 # ring membership passed
201: ok 2706 # correct SSSR count
201: ok 2707 # ring membership passed
201: ok 2708 # correct SSSR count
201: ok 2709 # ring membership passed
201: ok 2710 # correct SSSR count
201: ok 2711 # ring membership passed
201: ok 2712 # correct SSSR count
201: ok 2713 # ring membership passed
201: ok 2714 # correct SSSR count
201: ok 2715 # ring membership passed
201: ok 2716 # correct ring bond data
201: ok 2717 # correct ring bond data
201: ok 2718 # correct ring bond data
201: ok 2719 # correct ring bond data
201: ok 2720 # correct ring bond data
201: ok 2721 # correct ring bond data
201: ok 2722 # correct ring bond data
201: ok 2723 # correct ring bond data
201: ok 2724 # correct ring bond data
201: ok 2725 # correct ring bond data
201: ok 2726 # correct ring bond data
201: ok 2727 # correct ring bond data
201: ok 2728 # correct ring bond data
201: ok 2729 # correct ring bond data
201: ok 2730 # correct ring bond data
201: ok 2731 # correct ring bond data
201: ok 2732 # SSSR size matches reference
201: ok 2733 # correct SSSR count
201: ok 2734 # ring membership passed
201: ok 2735 # correct SSSR count
201: ok 2736 # ring membership passed
201: ok 2737 # correct SSSR count
201: ok 2738 # ring membership passed
201: ok 2739 # correct SSSR count
201: ok 2740 # ring membership passed
201: ok 2741 # correct SSSR count
201: ok 2742 # ring membership passed
201: ok 2743 # correct SSSR count
201: ok 2744 # ring membership passed
201: ok 2745 # correct SSSR count
201: ok 2746 # ring membership passed
201: ok 2747 # correct SSSR count
201: ok 2748 # ring membership passed
201: ok 2749 # correct SSSR count
201: ok 2750 # ring membership passed
201: ok 2751 # correct SSSR count
201: ok 2752 # ring membership passed
201: ok 2753 # correct SSSR count
201: ok 2754 # ring membership passed
201: ok 2755 # correct SSSR count
201: ok 2756 # ring membership passed
201: ok 2757 # correct SSSR count
201: ok 2758 # ring membership passed
201: ok 2759 # correct SSSR count
201: ok 2760 # ring membership passed
201: ok 2761 # correct SSSR count
201: ok 2762 # ring membership passed
201: ok 2763 # correct ring bond data
201: ok 2764 # correct ring bond data
201: ok 2765 # correct ring bond data
201: ok 2766 # correct ring bond data
201: ok 2767 # correct ring bond data
201: ok 2768 # correct ring bond data
201: ok 2769 # correct ring bond data
201: ok 2770 # correct ring bond data
201: ok 2771 # correct ring bond data
201: ok 2772 # correct ring bond data
201: ok 2773 # correct ring bond data
201: ok 2774 # correct ring bond data
201: ok 2775 # correct ring bond data
201: ok 2776 # correct ring bond data
201: ok 2777 # correct ring bond data
201: ok 2778 # correct ring bond data
201: ok 2779 # correct ring bond data
201: ok 2780 # correct ring bond data
201: ok 2781 # correct ring bond data
201: ok 2782 # correct ring bond data
201: ok 2783 # SSSR size matches reference
201: ok 2784 # correct SSSR count
201: ok 2785 # ring membership passed
201: ok 2786 # correct SSSR count
201: ok 2787 # ring membership passed
201: ok 2788 # correct SSSR count
201: ok 2789 # ring membership passed
201: ok 2790 # correct SSSR count
201: ok 2791 # ring membership passed
201: ok 2792 # correct SSSR count
201: ok 2793 # ring membership passed
201: ok 2794 # correct SSSR count
201: ok 2795 # ring membership passed
201: ok 2796 # correct SSSR count
201: ok 2797 # ring membership passed
201: ok 2798 # correct SSSR count
201: ok 2799 # ring membership passed
201: ok 2800 # correct SSSR count
201: ok 2801 # ring membership passed
201: ok 2802 # correct SSSR count
201: ok 2803 # ring membership passed
201: ok 2804 # correct SSSR count
201: ok 2805 # ring membership passed
201: ok 2806 # correct SSSR count
201: ok 2807 # ring membership passed
201: ok 2808 # correct SSSR count
201: ok 2809 # ring membership passed
201: ok 2810 # correct SSSR count
201: ok 2811 # ring membership passed
201: ok 2812 # correct SSSR count
201: ok 2813 # ring membership passed
201: ok 2814 # correct SSSR count
201: ok 2815 # ring membership passed
201: ok 2816 # correct SSSR count
201: ok 2817 # ring membership passed
201: ok 2818 # correct SSSR count
201: ok 2819 # ring membership passed
201: ok 2820 # correct SSSR count
201: ok 2821 # ring membership passed
201: ok 2822 # correct SSSR count
201: ok 2823 # ring membership passed
201: ok 2824 # correct ring bond data
201: ok 2825 # correct ring bond data
201: ok 2826 # correct ring bond data
201: ok 2827 # correct ring bond data
201: ok 2828 # correct ring bond data
201: ok 2829 # correct ring bond data
201: ok 2830 # correct ring bond data
201: ok 2831 # correct ring bond data
201: ok 2832 # correct ring bond data
201: ok 2833 # correct ring bond data
201: ok 2834 # correct ring bond data
201: ok 2835 # correct ring bond data
201: ok 2836 # correct ring bond data
201: ok 2837 # correct ring bond data
201: ok 2838 # correct ring bond data
201: ok 2839 # correct ring bond data
201: ok 2840 # correct ring bond data
201: ok 2841 # correct ring bond data
201: ok 2842 # correct ring bond data
201: ok 2843 # correct ring bond data
201: ok 2844 # correct ring bond data
201: ok 2845 # correct ring bond data
201: ok 2846 # correct ring bond data
201: ok 2847 # correct ring bond data
201: ok 2848 # SSSR size matches reference
201: ok 2849 # correct SSSR count
201: ok 2850 # ring membership passed
201: ok 2851 # correct SSSR count
201: ok 2852 # ring membership passed
201: ok 2853 # correct SSSR count
201: ok 2854 # ring membership passed
201: ok 2855 # correct SSSR count
201: ok 2856 # ring membership passed
201: ok 2857 # correct SSSR count
201: ok 2858 # ring membership passed
201: ok 2859 # correct SSSR count
201: ok 2860 # ring membership passed
201: ok 2861 # correct SSSR count
201: ok 2862 # ring membership passed
201: ok 2863 # correct SSSR count
201: ok 2864 # ring membership passed
201: ok 2865 # correct SSSR count
201: ok 2866 # ring membership passed
201: ok 2867 # correct SSSR count
201: ok 2868 # ring membership passed
201: ok 2869 # correct SSSR count
201: ok 2870 # ring membership passed
201: ok 2871 # correct SSSR count
201: ok 2872 # ring membership passed
201: ok 2873 # correct SSSR count
201: ok 2874 # ring membership passed
201: ok 2875 # correct SSSR count
201: ok 2876 # ring membership passed
201: ok 2877 # correct SSSR count
201: ok 2878 # ring membership passed
201: ok 2879 # correct SSSR count
201: ok 2880 # ring membership passed
201: ok 2881 # correct SSSR count
201: ok 2882 # ring membership passed
201: ok 2883 # correct SSSR count
201: ok 2884 # ring membership passed
201: ok 2885 # correct SSSR count
201: ok 2886 # ring membership passed
201: ok 2887 # correct SSSR count
201: ok 2888 # ring membership passed
201: ok 2889 # correct SSSR count
201: ok 2890 # ring membership passed
201: ok 2891 # correct ring bond data
201: ok 2892 # correct ring bond data
201: ok 2893 # correct ring bond data
201: ok 2894 # correct ring bond data
201: ok 2895 # correct ring bond data
201: ok 2896 # correct ring bond data
201: ok 2897 # correct ring bond data
201: ok 2898 # correct ring bond data
201: ok 2899 # correct ring bond data
201: ok 2900 # correct ring bond data
201: ok 2901 # correct ring bond data
201: ok 2902 # correct ring bond data
201: ok 2903 # correct ring bond data
201: ok 2904 # correct ring bond data
201: ok 2905 # correct ring bond data
201: ok 2906 # correct ring bond data
201: ok 2907 # correct ring bond data
201: ok 2908 # correct ring bond data
201: ok 2909 # correct ring bond data
201: ok 2910 # correct ring bond data
201: ok 2911 # correct ring bond data
201: ok 2912 # correct ring bond data
201: ok 2913 # correct ring bond data
201: ok 2914 # correct ring bond data
201: ok 2915 # correct ring bond data
201: ok 2916 # correct ring bond data
201: ok 2917 # correct ring bond data
201: ok 2918 # correct ring bond data
201: ok 2919 # correct ring bond data
201: ok 2920 # correct ring bond data
201: ok 2921 # correct ring bond data
201: ok 2922 # SSSR size matches reference
201: ok 2923 # correct SSSR count
201: ok 2924 # ring membership passed
201: ok 2925 # correct SSSR count
201: ok 2926 # ring membership passed
201: ok 2927 # correct SSSR count
201: ok 2928 # ring membership passed
201: ok 2929 # correct SSSR count
201: ok 2930 # ring membership passed
201: ok 2931 # correct SSSR count
201: ok 2932 # ring membership passed
201: ok 2933 # correct SSSR count
201: ok 2934 # ring membership passed
201: ok 2935 # correct SSSR count
201: ok 2936 # ring membership passed
201: ok 2937 # correct SSSR count
201: ok 2938 # ring membership passed
201: ok 2939 # correct SSSR count
201: ok 2940 # ring membership passed
201: ok 2941 # correct SSSR count
201: ok 2942 # ring membership passed
201: ok 2943 # correct SSSR count
201: ok 2944 # ring membership passed
201: ok 2945 # correct SSSR count
201: ok 2946 # ring membership passed
201: ok 2947 # correct SSSR count
201: ok 2948 # ring membership passed
201: ok 2949 # correct SSSR count
201: ok 2950 # ring membership passed
201: ok 2951 # correct SSSR count
201: ok 2952 # ring membership passed
201: ok 2953 # correct SSSR count
201: ok 2954 # ring membership passed
201: ok 2955 # correct SSSR count
201: ok 2956 # ring membership passed
201: ok 2957 # correct SSSR count
201: ok 2958 # ring membership passed
201: ok 2959 # correct SSSR count
201: ok 2960 # ring membership passed
201: ok 2961 # correct SSSR count
201: ok 2962 # ring membership passed
201: ok 2963 # correct SSSR count
201: ok 2964 # ring membership passed
201: ok 2965 # correct SSSR count
201: ok 2966 # ring membership passed
201: ok 2967 # correct SSSR count
201: ok 2968 # ring membership passed
201: ok 2969 # correct SSSR count
201: ok 2970 # ring membership passed
201: ok 2971 # correct SSSR count
201: ok 2972 # ring membership passed
201: ok 2973 # correct SSSR count
201: ok 2974 # ring membership passed
201: ok 2975 # correct SSSR count
201: ok 2976 # ring membership passed
201: ok 2977 # correct ring bond data
201: ok 2978 # correct ring bond data
201: ok 2979 # correct ring bond data
201: ok 2980 # correct ring bond data
201: ok 2981 # correct ring bond data
201: ok 2982 # correct ring bond data
201: ok 2983 # correct ring bond data
201: ok 2984 # correct ring bond data
201: ok 2985 # correct ring bond data
201: ok 2986 # correct ring bond data
201: ok 2987 # correct ring bond data
201: ok 2988 # correct ring bond data
201: ok 2989 # correct ring bond data
201: ok 2990 # correct ring bond data
201: ok 2991 # correct ring bond data
201: ok 2992 # SSSR size matches reference
201: ok 2993 # correct SSSR count
201: ok 2994 # ring membership passed
201: ok 2995 # correct SSSR count
201: ok 2996 # ring membership passed
201: ok 2997 # correct SSSR count
201: ok 2998 # ring membership passed
201: ok 2999 # correct SSSR count
201: ok 3000 # ring membership passed
201: ok 3001 # correct SSSR count
201: ok 3002 # ring membership passed
201: ok 3003 # correct SSSR count
201: ok 3004 # ring membership passed
201: ok 3005 # correct SSSR count
201: ok 3006 # ring membership passed
201: ok 3007 # correct SSSR count
201: ok 3008 # ring membership passed
201: ok 3009 # correct SSSR count
201: ok 3010 # ring membership passed
201: ok 3011 # correct SSSR count
201: ok 3012 # ring membership passed
201: ok 3013 # correct SSSR count
201: ok 3014 # ring membership passed
201: ok 3015 # correct SSSR count
201: ok 3016 # ring membership passed
201: ok 3017 # correct SSSR count
201: ok 3018 # ring membership passed
201: ok 3019 # correct SSSR count
201: ok 3020 # ring membership passed
201: ok 3021 # correct ring bond data
201: ok 3022 # correct ring bond data
201: ok 3023 # correct ring bond data
201: ok 3024 # correct ring bond data
201: ok 3025 # correct ring bond data
201: ok 3026 # correct ring bond data
201: ok 3027 # correct ring bond data
201: ok 3028 # correct ring bond data
201: ok 3029 # correct ring bond data
201: ok 3030 # correct ring bond data
201: ok 3031 # correct ring bond data
201: ok 3032 # correct ring bond data
201: ok 3033 # correct ring bond data
201: ok 3034 # correct ring bond data
201: ok 3035 # correct ring bond data
201: ok 3036 # correct ring bond data
201: ok 3037 # correct ring bond data
201: ok 3038 # correct ring bond data
201: ok 3039 # correct ring bond data
201: ok 3040 # correct ring bond data
201: ok 3041 # SSSR size matches reference
201: ok 3042 # correct SSSR count
201: ok 3043 # ring membership passed
201: ok 3044 # correct SSSR count
201: ok 3045 # ring membership passed
201: ok 3046 # correct SSSR count
201: ok 3047 # ring membership passed
201: ok 3048 # correct SSSR count
201: ok 3049 # ring membership passed
201: ok 3050 # correct SSSR count
201: ok 3051 # ring membership passed
201: ok 3052 # correct SSSR count
201: ok 3053 # ring membership passed
201: ok 3054 # correct SSSR count
201: ok 3055 # ring membership passed
201: ok 3056 # correct SSSR count
201: ok 3057 # ring membership passed
201: ok 3058 # correct SSSR count
201: ok 3059 # ring membership passed
201: ok 3060 # correct SSSR count
201: ok 3061 # ring membership passed
201: ok 3062 # correct SSSR count
201: ok 3063 # ring membership passed
201: ok 3064 # correct SSSR count
201: ok 3065 # ring membership passed
201: ok 3066 # correct SSSR count
201: ok 3067 # ring membership passed
201: ok 3068 # correct SSSR count
201: ok 3069 # ring membership passed
201: ok 3070 # correct SSSR count
201: ok 3071 # ring membership passed
201: ok 3072 # correct SSSR count
201: ok 3073 # ring membership passed
201: ok 3074 # correct SSSR count
201: ok 3075 # ring membership passed
201: ok 3076 # correct SSSR count
201: ok 3077 # ring membership passed
201: ok 3078 # correct SSSR count
201: ok 3079 # ring membership passed
201: ok 3080 # correct ring bond data
201: ok 3081 # correct ring bond data
201: ok 3082 # correct ring bond data
201: ok 3083 # correct ring bond data
201: ok 3084 # correct ring bond data
201: ok 3085 # correct ring bond data
201: ok 3086 # correct ring bond data
201: ok 3087 # correct ring bond data
201: ok 3088 # correct ring bond data
201: ok 3089 # correct ring bond data
201: ok 3090 # correct ring bond data
201: ok 3091 # correct ring bond data
201: ok 3092 # correct ring bond data
201: ok 3093 # correct ring bond data
201: ok 3094 # correct ring bond data
201: ok 3095 # correct ring bond data
201: ok 3096 # correct ring bond data
201: ok 3097 # correct ring bond data
201: ok 3098 # correct ring bond data
201: ok 3099 # correct ring bond data
201: ok 3100 # correct ring bond data
201: ok 3101 # SSSR size matches reference
201: ok 3102 # correct SSSR count
201: ok 3103 # ring membership passed
201: ok 3104 # correct SSSR count
201: ok 3105 # ring membership passed
201: ok 3106 # correct SSSR count
201: ok 3107 # ring membership passed
201: ok 3108 # correct SSSR count
201: ok 3109 # ring membership passed
201: ok 3110 # correct SSSR count
201: ok 3111 # ring membership passed
201: ok 3112 # correct SSSR count
201: ok 3113 # ring membership passed
201: ok 3114 # correct SSSR count
201: ok 3115 # ring membership passed
201: ok 3116 # correct SSSR count
201: ok 3117 # ring membership passed
201: ok 3118 # correct SSSR count
201: ok 3119 # ring membership passed
201: ok 3120 # correct SSSR count
201: ok 3121 # ring membership passed
201: ok 3122 # correct SSSR count
201: ok 3123 # ring membership passed
201: ok 3124 # correct SSSR count
201: ok 3125 # ring membership passed
201: ok 3126 # correct SSSR count
201: ok 3127 # ring membership passed
201: ok 3128 # correct SSSR count
201: ok 3129 # ring membership passed
201: ok 3130 # correct SSSR count
201: ok 3131 # ring membership passed
201: ok 3132 # correct SSSR count
201: ok 3133 # ring membership passed
201: ok 3134 # correct SSSR count
201: ok 3135 # ring membership passed
201: ok 3136 # correct SSSR count
201: ok 3137 # ring membership passed
201: ok 3138 # correct SSSR count
201: ok 3139 # ring membership passed
201: ok 3140 # correct SSSR count
201: ok 3141 # ring membership passed
201: ok 3142 # correct ring bond data
201: ok 3143 # correct ring bond data
201: ok 3144 # correct ring bond data
201: ok 3145 # correct ring bond data
201: ok 3146 # correct ring bond data
201: ok 3147 # correct ring bond data
201: ok 3148 # correct ring bond data
201: ok 3149 # correct ring bond data
201: ok 3150 # correct ring bond data
201: ok 3151 # correct ring bond data
201: ok 3152 # correct ring bond data
201: ok 3153 # correct ring bond data
201: ok 3154 # correct ring bond data
201: ok 3155 # correct ring bond data
201: ok 3156 # correct ring bond data
201: ok 3157 # correct ring bond data
201: ok 3158 # correct ring bond data
201: ok 3159 # correct ring bond data
201: ok 3160 # correct ring bond data
201: ok 3161 # correct ring bond data
201: ok 3162 # correct ring bond data
201: ok 3163 # correct ring bond data
201: ok 3164 # SSSR size matches reference
201: ok 3165 # correct SSSR count
201: ok 3166 # ring membership passed
201: ok 3167 # correct SSSR count
201: ok 3168 # ring membership passed
201: ok 3169 # correct SSSR count
201: ok 3170 # ring membership passed
201: ok 3171 # correct SSSR count
201: ok 3172 # ring membership passed
201: ok 3173 # correct SSSR count
201: ok 3174 # ring membership passed
201: ok 3175 # correct SSSR count
201: ok 3176 # ring membership passed
201: ok 3177 # correct SSSR count
201: ok 3178 # ring membership passed
201: ok 3179 # correct SSSR count
201: ok 3180 # ring membership passed
201: ok 3181 # correct SSSR count
201: ok 3182 # ring membership passed
201: ok 3183 # correct SSSR count
201: ok 3184 # ring membership passed
201: ok 3185 # correct SSSR count
201: ok 3186 # ring membership passed
201: ok 3187 # correct SSSR count
201: ok 3188 # ring membership passed
201: ok 3189 # correct SSSR count
201: ok 3190 # ring membership passed
201: ok 3191 # correct SSSR count
201: ok 3192 # ring membership passed
201: ok 3193 # correct SSSR count
201: ok 3194 # ring membership passed
201: ok 3195 # correct SSSR count
201: ok 3196 # ring membership passed
201: ok 3197 # correct SSSR count
201: ok 3198 # ring membership passed
201: ok 3199 # correct SSSR count
201: ok 3200 # ring membership passed
201: ok 3201 # correct SSSR count
201: ok 3202 # ring membership passed
201: ok 3203 # correct SSSR count
201: ok 3204 # ring membership passed
201: ok 3205 # correct SSSR count
201: ok 3206 # ring membership passed
201: ok 3207 # correct SSSR count
201: ok 3208 # ring membership passed
201: ok 3209 # correct ring bond data
201: ok 3210 # correct ring bond data
201: ok 3211 # correct ring bond data
201: ok 3212 # correct ring bond data
201: ok 3213 # correct ring bond data
201: ok 3214 # correct ring bond data
201: ok 3215 # correct ring bond data
201: ok 3216 # correct ring bond data
201: ok 3217 # correct ring bond data
201: ok 3218 # correct ring bond data
201: ok 3219 # correct ring bond data
201: ok 3220 # correct ring bond data
201: ok 3221 # correct ring bond data
201: ok 3222 # correct ring bond data
201: ok 3223 # correct ring bond data
201: ok 3224 # correct ring bond data
201: ok 3225 # correct ring bond data
201: ok 3226 # correct ring bond data
201: ok 3227 # correct ring bond data
201: ok 3228 # correct ring bond data
201: ok 3229 # SSSR size matches reference
201: ok 3230 # correct SSSR count
201: ok 3231 # ring membership passed
201: ok 3232 # correct SSSR count
201: ok 3233 # ring membership passed
201: ok 3234 # correct SSSR count
201: ok 3235 # ring membership passed
201: ok 3236 # correct SSSR count
201: ok 3237 # ring membership passed
201: ok 3238 # correct SSSR count
201: ok 3239 # ring membership passed
201: ok 3240 # correct SSSR count
201: ok 3241 # ring membership passed
201: ok 3242 # correct SSSR count
201: ok 3243 # ring membership passed
201: ok 3244 # correct SSSR count
201: ok 3245 # ring membership passed
201: ok 3246 # correct SSSR count
201: ok 3247 # ring membership passed
201: ok 3248 # correct SSSR count
201: ok 3249 # ring membership passed
201: ok 3250 # correct SSSR count
201: ok 3251 # ring membership passed
201: ok 3252 # correct SSSR count
201: ok 3253 # ring membership passed
201: ok 3254 # correct SSSR count
201: ok 3255 # ring membership passed
201: ok 3256 # correct SSSR count
201: ok 3257 # ring membership passed
201: ok 3258 # correct SSSR count
201: ok 3259 # ring membership passed
201: ok 3260 # correct SSSR count
201: ok 3261 # ring membership passed
201: ok 3262 # correct SSSR count
201: ok 3263 # ring membership passed
201: ok 3264 # correct SSSR count
201: ok 3265 # ring membership passed
201: ok 3266 # correct SSSR count
201: ok 3267 # ring membership passed
201: ok 3268 # correct ring bond data
201: ok 3269 # correct ring bond data
201: ok 3270 # correct ring bond data
201: ok 3271 # correct ring bond data
201: ok 3272 # correct ring bond data
201: ok 3273 # correct ring bond data
201: ok 3274 # correct ring bond data
201: ok 3275 # correct ring bond data
201: ok 3276 # correct ring bond data
201: ok 3277 # correct ring bond data
201: ok 3278 # correct ring bond data
201: ok 3279 # correct ring bond data
201: ok 3280 # correct ring bond data
201: ok 3281 # correct ring bond data
201: ok 3282 # correct ring bond data
201: ok 3283 # correct ring bond data
201: ok 3284 # correct ring bond data
201: ok 3285 # correct ring bond data
201: ok 3286 # correct ring bond data
201: ok 3287 # correct ring bond data
201: ok 3288 # correct ring bond data
201: ok 3289 # correct ring bond data
201: ok 3290 # SSSR size matches reference
201: ok 3291 # correct SSSR count
201: ok 3292 # ring membership passed
201: ok 3293 # correct SSSR count
201: ok 3294 # ring membership passed
201: ok 3295 # correct SSSR count
201: ok 3296 # ring membership passed
201: ok 3297 # correct SSSR count
201: ok 3298 # ring membership passed
201: ok 3299 # correct SSSR count
201: ok 3300 # ring membership passed
201: ok 3301 # correct SSSR count
201: ok 3302 # ring membership passed
201: ok 3303 # correct SSSR count
201: ok 3304 # ring membership passed
201: ok 3305 # correct SSSR count
201: ok 3306 # ring membership passed
201: ok 3307 # correct SSSR count
201: ok 3308 # ring membership passed
201: ok 3309 # correct SSSR count
201: ok 3310 # ring membership passed
201: ok 3311 # correct SSSR count
201: ok 3312 # ring membership passed
201: ok 3313 # correct SSSR count
201: ok 3314 # ring membership passed
201: ok 3315 # correct SSSR count
201: ok 3316 # ring membership passed
201: ok 3317 # correct SSSR count
201: ok 3318 # ring membership passed
201: ok 3319 # correct SSSR count
201: ok 3320 # ring membership passed
201: ok 3321 # correct SSSR count
201: ok 3322 # ring membership passed
201: ok 3323 # correct SSSR count
201: ok 3324 # ring membership passed
201: ok 3325 # correct SSSR count
201: ok 3326 # ring membership passed
201: ok 3327 # correct SSSR count
201: ok 3328 # ring membership passed
201: ok 3329 # correct SSSR count
201: ok 3330 # ring membership passed
201: ok 3331 # correct SSSR count
201: ok 3332 # ring membership passed
201: ok 3333 # correct ring bond data
201: ok 3334 # correct ring bond data
201: ok 3335 # correct ring bond data
201: ok 3336 # correct ring bond data
201: ok 3337 # correct ring bond data
201: ok 3338 # correct ring bond data
201: ok 3339 # correct ring bond data
201: ok 3340 # correct ring bond data
201: ok 3341 # correct ring bond data
201: ok 3342 # correct ring bond data
201: ok 3343 # correct ring bond data
201: ok 3344 # correct ring bond data
201: ok 3345 # correct ring bond data
201: ok 3346 # correct ring bond data
201: ok 3347 # correct ring bond data
201: ok 3348 # correct ring bond data
201: ok 3349 # correct ring bond data
201: ok 3350 # correct ring bond data
201: ok 3351 # correct ring bond data
201: ok 3352 # correct ring bond data
201: ok 3353 # correct ring bond data
201: ok 3354 # SSSR size matches reference
201: ok 3355 # correct SSSR count
201: ok 3356 # ring membership passed
201: ok 3357 # correct SSSR count
201: ok 3358 # ring membership passed
201: ok 3359 # correct SSSR count
201: ok 3360 # ring membership passed
201: ok 3361 # correct SSSR count
201: ok 3362 # ring membership passed
201: ok 3363 # correct SSSR count
201: ok 3364 # ring membership passed
201: ok 3365 # correct SSSR count
201: ok 3366 # ring membership passed
201: ok 3367 # correct SSSR count
201: ok 3368 # ring membership passed
201: ok 3369 # correct SSSR count
201: ok 3370 # ring membership passed
201: ok 3371 # correct SSSR count
201: ok 3372 # ring membership passed
201: ok 3373 # correct SSSR count
201: ok 3374 # ring membership passed
201: ok 3375 # correct SSSR count
201: ok 3376 # ring membership passed
201: ok 3377 # correct SSSR count
201: ok 3378 # ring membership passed
201: ok 3379 # correct SSSR count
201: ok 3380 # ring membership passed
201: ok 3381 # correct SSSR count
201: ok 3382 # ring membership passed
201: ok 3383 # correct SSSR count
201: ok 3384 # ring membership passed
201: ok 3385 # correct SSSR count
201: ok 3386 # ring membership passed
201: ok 3387 # correct SSSR count
201: ok 3388 # ring membership passed
201: ok 3389 # correct SSSR count
201: ok 3390 # ring membership passed
201: ok 3391 # correct SSSR count
201: ok 3392 # ring membership passed
201: ok 3393 # correct SSSR count
201: ok 3394 # ring membership passed
201: ok 3395 # correct ring bond data
201: ok 3396 # correct ring bond data
201: ok 3397 # correct ring bond data
201: ok 3398 # correct ring bond data
201: ok 3399 # correct ring bond data
201: ok 3400 # correct ring bond data
201: ok 3401 # correct ring bond data
201: ok 3402 # correct ring bond data
201: ok 3403 # correct ring bond data
201: ok 3404 # correct ring bond data
201: ok 3405 # correct ring bond data
201: ok 3406 # correct ring bond data
201: ok 3407 # correct ring bond data
201: ok 3408 # correct ring bond data
201: ok 3409 # correct ring bond data
201: ok 3410 # correct ring bond data
201: ok 3411 # correct ring bond data
201: ok 3412 # correct ring bond data
201: ok 3413 # correct ring bond data
201: ok 3414 # correct ring bond data
201: ok 3415 # SSSR size matches reference
201: ok 3416 # correct SSSR count
201: ok 3417 # ring membership passed
201: ok 3418 # correct SSSR count
201: ok 3419 # ring membership passed
201: ok 3420 # correct SSSR count
201: ok 3421 # ring membership passed
201: ok 3422 # correct SSSR count
201: ok 3423 # ring membership passed
201: ok 3424 # correct SSSR count
201: ok 3425 # ring membership passed
201: ok 3426 # correct SSSR count
201: ok 3427 # ring membership passed
201: ok 3428 # correct SSSR count
201: ok 3429 # ring membership passed
201: ok 3430 # correct SSSR count
201: ok 3431 # ring membership passed
201: ok 3432 # correct SSSR count
201: ok 3433 # ring membership passed
201: ok 3434 # correct SSSR count
201: ok 3435 # ring membership passed
201: ok 3436 # correct SSSR count
201: ok 3437 # ring membership passed
201: ok 3438 # correct SSSR count
201: ok 3439 # ring membership passed
201: ok 3440 # correct SSSR count
201: ok 3441 # ring membership passed
201: ok 3442 # correct SSSR count
201: ok 3443 # ring membership passed
201: ok 3444 # correct SSSR count
201: ok 3445 # ring membership passed
201: ok 3446 # correct SSSR count
201: ok 3447 # ring membership passed
201: ok 3448 # correct SSSR count
201: ok 3449 # ring membership passed
201: ok 3450 # correct SSSR count
201: ok 3451 # ring membership passed
201: ok 3452 # correct SSSR count
201: ok 3453 # ring membership passed
201: ok 3454 # correct SSSR count
201: ok 3455 # ring membership passed
201: ok 3456 # correct ring bond data
201: ok 3457 # correct ring bond data
201: ok 3458 # correct ring bond data
201: ok 3459 # correct ring bond data
201: ok 3460 # correct ring bond data
201: ok 3461 # correct ring bond data
201: ok 3462 # correct ring bond data
201: ok 3463 # correct ring bond data
201: ok 3464 # correct ring bond data
201: ok 3465 # correct ring bond data
201: ok 3466 # correct ring bond data
201: ok 3467 # correct ring bond data
201: ok 3468 # correct ring bond data
201: ok 3469 # correct ring bond data
201: ok 3470 # correct ring bond data
201: ok 3471 # correct ring bond data
201: ok 3472 # correct ring bond data
201: ok 3473 # correct ring bond data
201: ok 3474 # correct ring bond data
201: ok 3475 # correct ring bond data
201: ok 3476 # correct ring bond data
201: ok 3477 # correct ring bond data
201: ok 3478 # SSSR size matches reference
201: ok 3479 # correct SSSR count
201: ok 3480 # ring membership passed
201: ok 3481 # correct SSSR count
201: ok 3482 # ring membership passed
201: ok 3483 # correct SSSR count
201: ok 3484 # ring membership passed
201: ok 3485 # correct SSSR count
201: ok 3486 # ring membership passed
201: ok 3487 # correct SSSR count
201: ok 3488 # ring membership passed
201: ok 3489 # correct SSSR count
201: ok 3490 # ring membership passed
201: ok 3491 # correct SSSR count
201: ok 3492 # ring membership passed
201: ok 3493 # correct SSSR count
201: ok 3494 # ring membership passed
201: ok 3495 # correct SSSR count
201: ok 3496 # ring membership passed
201: ok 3497 # correct SSSR count
201: ok 3498 # ring membership passed
201: ok 3499 # correct SSSR count
201: ok 3500 # ring membership passed
201: ok 3501 # correct SSSR count
201: ok 3502 # ring membership passed
201: ok 3503 # correct SSSR count
201: ok 3504 # ring membership passed
201: ok 3505 # correct SSSR count
201: ok 3506 # ring membership passed
201: ok 3507 # correct SSSR count
201: ok 3508 # ring membership passed
201: ok 3509 # correct SSSR count
201: ok 3510 # ring membership passed
201: ok 3511 # correct SSSR count
201: ok 3512 # ring membership passed
201: ok 3513 # correct SSSR count
201: ok 3514 # ring membership passed
201: ok 3515 # correct SSSR count
201: ok 3516 # ring membership passed
201: ok 3517 # correct SSSR count
201: ok 3518 # ring membership passed
201: ok 3519 # correct SSSR count
201: ok 3520 # ring membership passed
201: ok 3521 # correct ring bond data
201: ok 3522 # correct ring bond data
201: ok 3523 # correct ring bond data
201: ok 3524 # correct ring bond data
201: ok 3525 # correct ring bond data
201: ok 3526 # correct ring bond data
201: ok 3527 # correct ring bond data
201: ok 3528 # correct ring bond data
201: ok 3529 # correct ring bond data
201: ok 3530 # correct ring bond data
201: ok 3531 # correct ring bond data
201: ok 3532 # correct ring bond data
201: ok 3533 # correct ring bond data
201: ok 3534 # correct ring bond data
201: ok 3535 # correct ring bond data
201: ok 3536 # correct ring bond data
201: ok 3537 # correct ring bond data
201: ok 3538 # correct ring bond data
201: ok 3539 # correct ring bond data
201: ok 3540 # correct ring bond data
201: ok 3541 # correct ring bond data
201: ok 3542 # correct ring bond data
201: ok 3543 # correct ring bond data
201: ok 3544 # correct ring bond data
201: ok 3545 # correct ring bond data
201: ok 3546 # correct ring bond data
201: ok 3547 # correct ring bond data
201: ok 3548 # SSSR size matches reference
201: ok 3549 # correct SSSR count
201: ok 3550 # ring membership passed
201: ok 3551 # correct SSSR count
201: ok 3552 # ring membership passed
201: ok 3553 # correct SSSR count
201: ok 3554 # ring membership passed
201: ok 3555 # correct SSSR count
201: ok 3556 # ring membership passed
201: ok 3557 # correct SSSR count
201: ok 3558 # ring membership passed
201: ok 3559 # correct SSSR count
201: ok 3560 # ring membership passed
201: ok 3561 # correct SSSR count
201: ok 3562 # ring membership passed
201: ok 3563 # correct SSSR count
201: ok 3564 # ring membership passed
201: ok 3565 # correct SSSR count
201: ok 3566 # ring membership passed
201: ok 3567 # correct SSSR count
201: ok 3568 # ring membership passed
201: ok 3569 # correct SSSR count
201: ok 3570 # ring membership passed
201: ok 3571 # correct SSSR count
201: ok 3572 # ring membership passed
201: ok 3573 # correct SSSR count
201: ok 3574 # ring membership passed
201: ok 3575 # correct SSSR count
201: ok 3576 # ring membership passed
201: ok 3577 # correct SSSR count
201: ok 3578 # ring membership passed
201: ok 3579 # correct SSSR count
201: ok 3580 # ring membership passed
201: ok 3581 # correct SSSR count
201: ok 3582 # ring membership passed
201: ok 3583 # correct SSSR count
201: ok 3584 # ring membership passed
201: ok 3585 # correct SSSR count
201: ok 3586 # ring membership passed
201: ok 3587 # correct SSSR count
201: ok 3588 # ring membership passed
201: ok 3589 # correct SSSR count
201: ok 3590 # ring membership passed
201: ok 3591 # correct SSSR count
201: ok 3592 # ring membership passed
201: ok 3593 # correct SSSR count
201: ok 3594 # ring membership passed
201: ok 3595 # correct SSSR count
201: ok 3596 # ring membership passed
201: ok 3597 # correct SSSR count
201: ok 3598 # ring membership passed
201: ok 3599 # correct ring bond data
201: ok 3600 # correct ring bond data
201: ok 3601 # correct ring bond data
201: ok 3602 # correct ring bond data
201: ok 3603 # correct ring bond data
201: ok 3604 # correct ring bond data
201: ok 3605 # correct ring bond data
201: ok 3606 # correct ring bond data
201: ok 3607 # correct ring bond data
201: ok 3608 # correct ring bond data
201: ok 3609 # correct ring bond data
201: ok 3610 # correct ring bond data
201: ok 3611 # correct ring bond data
201: ok 3612 # correct ring bond data
201: ok 3613 # SSSR size matches reference
201: ok 3614 # correct SSSR count
201: ok 3615 # ring membership passed
201: ok 3616 # correct SSSR count
201: ok 3617 # ring membership passed
201: ok 3618 # correct SSSR count
201: ok 3619 # ring membership passed
201: ok 3620 # correct SSSR count
201: ok 3621 # ring membership passed
201: ok 3622 # correct SSSR count
201: ok 3623 # ring membership passed
201: ok 3624 # correct SSSR count
201: ok 3625 # ring membership passed
201: ok 3626 # correct SSSR count
201: ok 3627 # ring membership passed
201: ok 3628 # correct SSSR count
201: ok 3629 # ring membership passed
201: ok 3630 # correct SSSR count
201: ok 3631 # ring membership passed
201: ok 3632 # correct SSSR count
201: ok 3633 # ring membership passed
201: ok 3634 # correct SSSR count
201: ok 3635 # ring membership passed
201: ok 3636 # correct SSSR count
201: ok 3637 # ring membership passed
201: ok 3638 # correct SSSR count
201: ok 3639 # ring membership passed
201: ok 3640 # correct SSSR count
201: ok 3641 # ring membership passed
201: ok 3642 # correct ring bond data
201: ok 3643 # correct ring bond data
201: ok 3644 # correct ring bond data
201: ok 3645 # correct ring bond data
201: ok 3646 # correct ring bond data
201: ok 3647 # correct ring bond data
201: ok 3648 # correct ring bond data
201: ok 3649 # correct ring bond data
201: ok 3650 # correct ring bond data
201: ok 3651 # correct ring bond data
201: ok 3652 # correct ring bond data
201: ok 3653 # correct ring bond data
201: ok 3654 # correct ring bond data
201: ok 3655 # correct ring bond data
201: ok 3656 # correct ring bond data
201: ok 3657 # correct ring bond data
201: ok 3658 # correct ring bond data
201: ok 3659 # correct ring bond data
201: ok 3660 # correct ring bond data
201: ok 3661 # correct ring bond data
201: ok 3662 # correct ring bond data
201: ok 3663 # correct ring bond data
201: ok 3664 # SSSR size matches reference
201: ok 3665 # correct SSSR count
201: ok 3666 # ring membership passed
201: ok 3667 # correct SSSR count
201: ok 3668 # ring membership passed
201: ok 3669 # correct SSSR count
201: ok 3670 # ring membership passed
201: ok 3671 # correct SSSR count
201: ok 3672 # ring membership passed
201: ok 3673 # correct SSSR count
201: ok 3674 # ring membership passed
201: ok 3675 # correct SSSR count
201: ok 3676 # ring membership passed
201: ok 3677 # correct SSSR count
201: ok 3678 # ring membership passed
201: ok 3679 # correct SSSR count
201: ok 3680 # ring membership passed
201: ok 3681 # correct SSSR count
201: ok 3682 # ring membership passed
201: ok 3683 # correct SSSR count
201: ok 3684 # ring membership passed
201: ok 3685 # correct SSSR count
201: ok 3686 # ring membership passed
201: ok 3687 # correct SSSR count
201: ok 3688 # ring membership passed
201: ok 3689 # correct SSSR count
201: ok 3690 # ring membership passed
201: ok 3691 # correct SSSR count
201: ok 3692 # ring membership passed
201: ok 3693 # correct SSSR count
201: ok 3694 # ring membership passed
201: ok 3695 # correct SSSR count
201: ok 3696 # ring membership passed
201: ok 3697 # correct SSSR count
201: ok 3698 # ring membership passed
201: ok 3699 # correct SSSR count
201: ok 3700 # ring membership passed
201: ok 3701 # correct SSSR count
201: ok 3702 # ring membership passed
201: ok 3703 # correct SSSR count
201: ok 3704 # ring membership passed
201: ok 3705 # correct SSSR count
201: ok 3706 # ring membership passed
201: ok 3707 # correct SSSR count
201: ok 3708 # ring membership passed
201: ok 3709 # correct ring bond data
201: ok 3710 # correct ring bond data
201: ok 3711 # correct ring bond data
201: ok 3712 # correct ring bond data
201: ok 3713 # correct ring bond data
201: ok 3714 # correct ring bond data
201: ok 3715 # correct ring bond data
201: ok 3716 # correct ring bond data
201: ok 3717 # correct ring bond data
201: ok 3718 # correct ring bond data
201: ok 3719 # correct ring bond data
201: ok 3720 # correct ring bond data
201: ok 3721 # correct ring bond data
201: ok 3722 # SSSR size matches reference
201: ok 3723 # correct SSSR count
201: ok 3724 # ring membership passed
201: ok 3725 # correct SSSR count
201: ok 3726 # ring membership passed
201: ok 3727 # correct SSSR count
201: ok 3728 # ring membership passed
201: ok 3729 # correct SSSR count
201: ok 3730 # ring membership passed
201: ok 3731 # correct SSSR count
201: ok 3732 # ring membership passed
201: ok 3733 # correct SSSR count
201: ok 3734 # ring membership passed
201: ok 3735 # correct SSSR count
201: ok 3736 # ring membership passed
201: ok 3737 # correct SSSR count
201: ok 3738 # ring membership passed
201: ok 3739 # correct SSSR count
201: ok 3740 # ring membership passed
201: ok 3741 # correct SSSR count
201: ok 3742 # ring membership passed
201: ok 3743 # correct SSSR count
201: ok 3744 # ring membership passed
201: ok 3745 # correct SSSR count
201: ok 3746 # ring membership passed
201: ok 3747 # correct SSSR count
201: ok 3748 # ring membership passed
201: ok 3749 # correct SSSR count
201: ok 3750 # ring membership passed
201: ok 3751 # correct ring bond data
201: ok 3752 # correct ring bond data
201: ok 3753 # correct ring bond data
201: ok 3754 # correct ring bond data
201: ok 3755 # correct ring bond data
201: ok 3756 # correct ring bond data
201: ok 3757 # correct ring bond data
201: ok 3758 # correct ring bond data
201: ok 3759 # correct ring bond data
201: ok 3760 # correct ring bond data
201: ok 3761 # correct ring bond data
201: ok 3762 # correct ring bond data
201: ok 3763 # correct ring bond data
201: ok 3764 # correct ring bond data
201: ok 3765 # correct ring bond data
201: ok 3766 # correct ring bond data
201: ok 3767 # correct ring bond data
201: ok 3768 # correct ring bond data
201: ok 3769 # correct ring bond data
201: ok 3770 # correct ring bond data
201: ok 3771 # correct ring bond data
201: ok 3772 # correct ring bond data
201: ok 3773 # correct ring bond data
201: ok 3774 # correct ring bond data
201: ok 3775 # correct ring bond data
201: ok 3776 # correct ring bond data
201: ok 3777 # correct ring bond data
201: ok 3778 # correct ring bond data
201: ok 3779 # correct ring bond data
201: ok 3780 # correct ring bond data
201: ok 3781 # correct ring bond data
201: ok 3782 # SSSR size matches reference
201: ok 3783 # correct SSSR count
201: ok 3784 # ring membership passed
201: ok 3785 # correct SSSR count
201: ok 3786 # ring membership passed
201: ok 3787 # correct SSSR count
201: ok 3788 # ring membership passed
201: ok 3789 # correct SSSR count
201: ok 3790 # ring membership passed
201: ok 3791 # correct SSSR count
201: ok 3792 # ring membership passed
201: ok 3793 # correct SSSR count
201: ok 3794 # ring membership passed
201: ok 3795 # correct SSSR count
201: ok 3796 # ring membership passed
201: ok 3797 # correct SSSR count
201: ok 3798 # ring membership passed
201: ok 3799 # correct SSSR count
201: ok 3800 # ring membership passed
201: ok 3801 # correct SSSR count
201: ok 3802 # ring membership passed
201: ok 3803 # correct SSSR count
201: ok 3804 # ring membership passed
201: ok 3805 # correct SSSR count
201: ok 3806 # ring membership passed
201: ok 3807 # correct SSSR count
201: ok 3808 # ring membership passed
201: ok 3809 # correct SSSR count
201: ok 3810 # ring membership passed
201: ok 3811 # correct SSSR count
201: ok 3812 # ring membership passed
201: ok 3813 # correct SSSR count
201: ok 3814 # ring membership passed
201: ok 3815 # correct SSSR count
201: ok 3816 # ring membership passed
201: ok 3817 # correct SSSR count
201: ok 3818 # ring membership passed
201: ok 3819 # correct SSSR count
201: ok 3820 # ring membership passed
201: ok 3821 # correct SSSR count
201: ok 3822 # ring membership passed
201: ok 3823 # correct SSSR count
201: ok 3824 # ring membership passed
201: ok 3825 # correct SSSR count
201: ok 3826 # ring membership passed
201: ok 3827 # correct SSSR count
201: ok 3828 # ring membership passed
201: ok 3829 # correct SSSR count
201: ok 3830 # ring membership passed
201: ok 3831 # correct SSSR count
201: ok 3832 # ring membership passed
201: ok 3833 # correct SSSR count
201: ok 3834 # ring membership passed
201: ok 3835 # correct SSSR count
201: ok 3836 # ring membership passed
201: ok 3837 # correct SSSR count
201: ok 3838 # ring membership passed
201: ok 3839 # correct ring bond data
201: ok 3840 # correct ring bond data
201: ok 3841 # correct ring bond data
201: ok 3842 # correct ring bond data
201: ok 3843 # correct ring bond data
201: ok 3844 # correct ring bond data
201: ok 3845 # correct ring bond data
201: ok 3846 # correct ring bond data
201: ok 3847 # correct ring bond data
201: ok 3848 # correct ring bond data
201: ok 3849 # correct ring bond data
201: ok 3850 # correct ring bond data
201: ok 3851 # correct ring bond data
201: ok 3852 # correct ring bond data
201: ok 3853 # correct ring bond data
201: ok 3854 # correct ring bond data
201: ok 3855 # correct ring bond data
201: ok 3856 # correct ring bond data
201: ok 3857 # correct ring bond data
201: ok 3858 # correct ring bond data
201: ok 3859 # correct ring bond data
201: ok 3860 # correct ring bond data
201: ok 3861 # correct ring bond data
201: ok 3862 # correct ring bond data
201: ok 3863 # SSSR size matches reference
201: ok 3864 # correct SSSR count
201: ok 3865 # ring membership passed
201: ok 3866 # correct SSSR count
201: ok 3867 # ring membership passed
201: ok 3868 # correct SSSR count
201: ok 3869 # ring membership passed
201: ok 3870 # correct SSSR count
201: ok 3871 # ring membership passed
201: ok 3872 # correct SSSR count
201: ok 3873 # ring membership passed
201: ok 3874 # correct SSSR count
201: ok 3875 # ring membership passed
201: ok 3876 # correct SSSR count
201: ok 3877 # ring membership passed
201: ok 3878 # correct SSSR count
201: ok 3879 # ring membership passed
201: ok 3880 # correct SSSR count
201: ok 3881 # ring membership passed
201: ok 3882 # correct SSSR count
201: ok 3883 # ring membership passed
201: ok 3884 # correct SSSR count
201: ok 3885 # ring membership passed
201: ok 3886 # correct SSSR count
201: ok 3887 # ring membership passed
201: ok 3888 # correct SSSR count
201: ok 3889 # ring membership passed
201: ok 3890 # correct SSSR count
201: ok 3891 # ring membership passed
201: ok 3892 # correct SSSR count
201: ok 3893 # ring membership passed
201: ok 3894 # correct SSSR count
201: ok 3895 # ring membership passed
201: ok 3896 # correct SSSR count
201: ok 3897 # ring membership passed
201: ok 3898 # correct SSSR count
201: ok 3899 # ring membership passed
201: ok 3900 # correct SSSR count
201: ok 3901 # ring membership passed
201: ok 3902 # correct SSSR count
201: ok 3903 # ring membership passed
201: ok 3904 # correct SSSR count
201: ok 3905 # ring membership passed
201: ok 3906 # correct SSSR count
201: ok 3907 # ring membership passed
201: ok 3908 # correct ring bond data
201: ok 3909 # correct ring bond data
201: ok 3910 # correct ring bond data
201: ok 3911 # correct ring bond data
201: ok 3912 # correct ring bond data
201: ok 3913 # correct ring bond data
201: ok 3914 # correct ring bond data
201: ok 3915 # correct ring bond data
201: ok 3916 # correct ring bond data
201: ok 3917 # correct ring bond data
201: ok 3918 # correct ring bond data
201: ok 3919 # correct ring bond data
201: ok 3920 # correct ring bond data
201: ok 3921 # correct ring bond data
201: ok 3922 # correct ring bond data
201: ok 3923 # correct ring bond data
201: ok 3924 # correct ring bond data
201: ok 3925 # correct ring bond data
201: ok 3926 # correct ring bond data
201: ok 3927 # correct ring bond data
201: ok 3928 # correct ring bond data
201: ok 3929 # correct ring bond data
201: ok 3930 # correct ring bond data
201: ok 3931 # SSSR size matches reference
201: ok 3932 # correct SSSR count
201: ok 3933 # ring membership passed
201: ok 3934 # correct SSSR count
201: ok 3935 # ring membership passed
201: ok 3936 # correct SSSR count
201: ok 3937 # ring membership passed
201: ok 3938 # correct SSSR count
201: ok 3939 # ring membership passed
201: ok 3940 # correct SSSR count
201: ok 3941 # ring membership passed
201: ok 3942 # correct SSSR count
201: ok 3943 # ring membership passed
201: ok 3944 # correct SSSR count
201: ok 3945 # ring membership passed
201: ok 3946 # correct SSSR count
201: ok 3947 # ring membership passed
201: ok 3948 # correct SSSR count
201: ok 3949 # ring membership passed
201: ok 3950 # correct SSSR count
201: ok 3951 # ring membership passed
201: ok 3952 # correct SSSR count
201: ok 3953 # ring membership passed
201: ok 3954 # correct SSSR count
201: ok 3955 # ring membership passed
201: ok 3956 # correct SSSR count
201: ok 3957 # ring membership passed
201: ok 3958 # correct SSSR count
201: ok 3959 # ring membership passed
201: ok 3960 # correct SSSR count
201: ok 3961 # ring membership passed
201: ok 3962 # correct SSSR count
201: ok 3963 # ring membership passed
201: ok 3964 # correct SSSR count
201: ok 3965 # ring membership passed
201: ok 3966 # correct SSSR count
201: ok 3967 # ring membership passed
201: ok 3968 # correct SSSR count
201: ok 3969 # ring membership passed
201: ok 3970 # correct SSSR count
201: ok 3971 # ring membership passed
201: ok 3972 # correct SSSR count
201: ok 3973 # ring membership passed
201: ok 3974 # correct ring bond data
201: ok 3975 # correct ring bond data
201: ok 3976 # correct ring bond data
201: ok 3977 # correct ring bond data
201: ok 3978 # correct ring bond data
201: ok 3979 # correct ring bond data
201: ok 3980 # correct ring bond data
201: ok 3981 # correct ring bond data
201: ok 3982 # correct ring bond data
201: ok 3983 # correct ring bond data
201: ok 3984 # correct ring bond data
201: ok 3985 # correct ring bond data
201: ok 3986 # correct ring bond data
201: ok 3987 # SSSR size matches reference
201: ok 3988 # correct SSSR count
201: ok 3989 # ring membership passed
201: ok 3990 # correct SSSR count
201: ok 3991 # ring membership passed
201: ok 3992 # correct SSSR count
201: ok 3993 # ring membership passed
201: ok 3994 # correct SSSR count
201: ok 3995 # ring membership passed
201: ok 3996 # correct SSSR count
201: ok 3997 # ring membership passed
201: ok 3998 # correct SSSR count
201: ok 3999 # ring membership passed
201: ok 4000 # correct SSSR count
201: ok 4001 # ring membership passed
201: ok 4002 # correct SSSR count
201: ok 4003 # ring membership passed
201: ok 4004 # correct SSSR count
201: ok 4005 # ring membership passed
201: ok 4006 # correct SSSR count
201: ok 4007 # ring membership passed
201: ok 4008 # correct SSSR count
201: ok 4009 # ring membership passed
201: ok 4010 # correct SSSR count
201: ok 4011 # ring membership passed
201: ok 4012 # correct SSSR count
201: ok 4013 # ring membership passed
201: ok 4014 # correct ring bond data
201: ok 4015 # correct ring bond data
201: ok 4016 # correct ring bond data
201: ok 4017 # correct ring bond data
201: ok 4018 # correct ring bond data
201: ok 4019 # correct ring bond data
201: ok 4020 # correct ring bond data
201: ok 4021 # correct ring bond data
201: ok 4022 # correct ring bond data
201: ok 4023 # correct ring bond data
201: ok 4024 # correct ring bond data
201: ok 4025 # correct ring bond data
201: ok 4026 # correct ring bond data
201: ok 4027 # correct ring bond data
201: ok 4028 # correct ring bond data
201: ok 4029 # correct ring bond data
201: ok 4030 # correct ring bond data
201: ok 4031 # correct ring bond data
201: ok 4032 # correct ring bond data
201: ok 4033 # correct ring bond data
201: ok 4034 # correct ring bond data
201: ok 4035 # correct ring bond data
201: ok 4036 # correct ring bond data
201: ok 4037 # SSSR size matches reference
201: ok 4038 # correct SSSR count
201: ok 4039 # ring membership passed
201: ok 4040 # correct SSSR count
201: ok 4041 # ring membership passed
201: ok 4042 # correct SSSR count
201: ok 4043 # ring membership passed
201: ok 4044 # correct SSSR count
201: ok 4045 # ring membership passed
201: ok 4046 # correct SSSR count
201: ok 4047 # ring membership passed
201: ok 4048 # correct SSSR count
201: ok 4049 # ring membership passed
201: ok 4050 # correct SSSR count
201: ok 4051 # ring membership passed
201: ok 4052 # correct SSSR count
201: ok 4053 # ring membership passed
201: ok 4054 # correct SSSR count
201: ok 4055 # ring membership passed
201: ok 4056 # correct SSSR count
201: ok 4057 # ring membership passed
201: ok 4058 # correct SSSR count
201: ok 4059 # ring membership passed
201: ok 4060 # correct SSSR count
201: ok 4061 # ring membership passed
201: ok 4062 # correct SSSR count
201: ok 4063 # ring membership passed
201: ok 4064 # correct SSSR count
201: ok 4065 # ring membership passed
201: ok 4066 # correct SSSR count
201: ok 4067 # ring membership passed
201: ok 4068 # correct SSSR count
201: ok 4069 # ring membership passed
201: ok 4070 # correct SSSR count
201: ok 4071 # ring membership passed
201: ok 4072 # correct SSSR count
201: ok 4073 # ring membership passed
201: ok 4074 # correct SSSR count
201: ok 4075 # ring membership passed
201: ok 4076 # correct SSSR count
201: ok 4077 # ring membership passed
201: ok 4078 # correct SSSR count
201: ok 4079 # ring membership passed
201: ok 4080 # correct ring bond data
201: ok 4081 # correct ring bond data
201: ok 4082 # correct ring bond data
201: ok 4083 # correct ring bond data
201: ok 4084 # correct ring bond data
201: ok 4085 # correct ring bond data
201: ok 4086 # correct ring bond data
201: ok 4087 # correct ring bond data
201: ok 4088 # correct ring bond data
201: ok 4089 # correct ring bond data
201: ok 4090 # correct ring bond data
201: ok 4091 # correct ring bond data
201: ok 4092 # correct ring bond data
201: ok 4093 # correct ring bond data
201: ok 4094 # correct ring bond data
201: ok 4095 # correct ring bond data
201: ok 4096 # correct ring bond data
201: ok 4097 # SSSR size matches reference
201: ok 4098 # correct SSSR count
201: ok 4099 # ring membership passed
201: ok 4100 # correct SSSR count
201: ok 4101 # ring membership passed
201: ok 4102 # correct SSSR count
201: ok 4103 # ring membership passed
201: ok 4104 # correct SSSR count
201: ok 4105 # ring membership passed
201: ok 4106 # correct SSSR count
201: ok 4107 # ring membership passed
201: ok 4108 # correct SSSR count
201: ok 4109 # ring membership passed
201: ok 4110 # correct SSSR count
201: ok 4111 # ring membership passed
201: ok 4112 # correct SSSR count
201: ok 4113 # ring membership passed
201: ok 4114 # correct SSSR count
201: ok 4115 # ring membership passed
201: ok 4116 # correct SSSR count
201: ok 4117 # ring membership passed
201: ok 4118 # correct SSSR count
201: ok 4119 # ring membership passed
201: ok 4120 # correct SSSR count
201: ok 4121 # ring membership passed
201: ok 4122 # correct SSSR count
201: ok 4123 # ring membership passed
201: ok 4124 # correct SSSR count
201: ok 4125 # ring membership passed
201: ok 4126 # correct SSSR count
201: ok 4127 # ring membership passed
201: ok 4128 # correct SSSR count
201: ok 4129 # ring membership passed
201: ok 4130 # correct ring bond data
201: ok 4131 # correct ring bond data
201: ok 4132 # correct ring bond data
201: ok 4133 # correct ring bond data
201: ok 4134 # correct ring bond data
201: ok 4135 # correct ring bond data
201: ok 4136 # correct ring bond data
201: ok 4137 # correct ring bond data
201: ok 4138 # correct ring bond data
201: ok 4139 # correct ring bond data
201: ok 4140 # correct ring bond data
201: ok 4141 # correct ring bond data
201: ok 4142 # correct ring bond data
201: ok 4143 # correct ring bond data
201: ok 4144 # correct ring bond data
201: ok 4145 # correct ring bond data
201: ok 4146 # correct ring bond data
201: ok 4147 # correct ring bond data
201: ok 4148 # correct ring bond data
201: ok 4149 # correct ring bond data
201: ok 4150 # correct ring bond data
201: ok 4151 # correct ring bond data
201: ok 4152 # correct ring bond data
201: ok 4153 # correct ring bond data
201: ok 4154 # SSSR size matches reference
201: ok 4155 # correct SSSR count
201: ok 4156 # ring membership passed
201: ok 4157 # correct SSSR count
201: ok 4158 # ring membership passed
201: ok 4159 # correct SSSR count
201: ok 4160 # ring membership passed
201: ok 4161 # correct SSSR count
201: ok 4162 # ring membership passed
201: ok 4163 # correct SSSR count
201: ok 4164 # ring membership passed
201: ok 4165 # correct SSSR count
201: ok 4166 # ring membership passed
201: ok 4167 # correct SSSR count
201: ok 4168 # ring membership passed
201: ok 4169 # correct SSSR count
201: ok 4170 # ring membership passed
201: ok 4171 # correct SSSR count
201: ok 4172 # ring membership passed
201: ok 4173 # correct SSSR count
201: ok 4174 # ring membership passed
201: ok 4175 # correct SSSR count
201: ok 4176 # ring membership passed
201: ok 4177 # correct SSSR count
201: ok 4178 # ring membership passed
201: ok 4179 # correct SSSR count
201: ok 4180 # ring membership passed
201: ok 4181 # correct SSSR count
201: ok 4182 # ring membership passed
201: ok 4183 # correct SSSR count
201: ok 4184 # ring membership passed
201: ok 4185 # correct SSSR count
201: ok 4186 # ring membership passed
201: ok 4187 # correct SSSR count
201: ok 4188 # ring membership passed
201: ok 4189 # correct SSSR count
201: ok 4190 # ring membership passed
201: ok 4191 # correct SSSR count
201: ok 4192 # ring membership passed
201: ok 4193 # correct SSSR count
201: ok 4194 # ring membership passed
201: ok 4195 # correct SSSR count
201: ok 4196 # ring membership passed
201: ok 4197 # correct SSSR count
201: ok 4198 # ring membership passed
201: ok 4199 # correct ring bond data
201: ok 4200 # correct ring bond data
201: ok 4201 # correct ring bond data
201: ok 4202 # correct ring bond data
201: ok 4203 # correct ring bond data
201: ok 4204 # correct ring bond data
201: ok 4205 # correct ring bond data
201: ok 4206 # correct ring bond data
201: ok 4207 # correct ring bond data
201: ok 4208 # correct ring bond data
201: ok 4209 # correct ring bond data
201: ok 4210 # correct ring bond data
201: ok 4211 # correct ring bond data
201: ok 4212 # correct ring bond data
201: ok 4213 # correct ring bond data
201: ok 4214 # correct ring bond data
201: ok 4215 # correct ring bond data
201: ok 4216 # SSSR size matches reference
201: ok 4217 # correct SSSR count
201: ok 4218 # ring membership passed
201: ok 4219 # correct SSSR count
201: ok 4220 # ring membership passed
201: ok 4221 # correct SSSR count
201: ok 4222 # ring membership passed
201: ok 4223 # correct SSSR count
201: ok 4224 # ring membership passed
201: ok 4225 # correct SSSR count
201: ok 4226 # ring membership passed
201: ok 4227 # correct SSSR count
201: ok 4228 # ring membership passed
201: ok 4229 # correct SSSR count
201: ok 4230 # ring membership passed
201: ok 4231 # correct SSSR count
201: ok 4232 # ring membership passed
201: ok 4233 # correct SSSR count
201: ok 4234 # ring membership passed
201: ok 4235 # correct SSSR count
201: ok 4236 # ring membership passed
201: ok 4237 # correct SSSR count
201: ok 4238 # ring membership passed
201: ok 4239 # correct SSSR count
201: ok 4240 # ring membership passed
201: ok 4241 # correct SSSR count
201: ok 4242 # ring membership passed
201: ok 4243 # correct SSSR count
201: ok 4244 # ring membership passed
201: ok 4245 # correct SSSR count
201: ok 4246 # ring membership passed
201: ok 4247 # correct SSSR count
201: ok 4248 # ring membership passed
201: ok 4249 # correct ring bond data
201: ok 4250 # correct ring bond data
201: ok 4251 # correct ring bond data
201: ok 4252 # correct ring bond data
201: ok 4253 # correct ring bond data
201: ok 4254 # correct ring bond data
201: ok 4255 # correct ring bond data
201: ok 4256 # correct ring bond data
201: ok 4257 # correct ring bond data
201: ok 4258 # correct ring bond data
201: ok 4259 # correct ring bond data
201: ok 4260 # correct ring bond data
201: ok 4261 # correct ring bond data
201: ok 4262 # correct ring bond data
201: ok 4263 # correct ring bond data
201: ok 4264 # correct ring bond data
201: ok 4265 # correct ring bond data
201: ok 4266 # correct ring bond data
201: ok 4267 # SSSR size matches reference
201: ok 4268 # correct SSSR count
201: ok 4269 # ring membership passed
201: ok 4270 # correct SSSR count
201: ok 4271 # ring membership passed
201: ok 4272 # correct SSSR count
201: ok 4273 # ring membership passed
201: ok 4274 # correct SSSR count
201: ok 4275 # ring membership passed
201: ok 4276 # correct SSSR count
201: ok 4277 # ring membership passed
201: ok 4278 # correct SSSR count
201: ok 4279 # ring membership passed
201: ok 4280 # correct SSSR count
201: ok 4281 # ring membership passed
201: ok 4282 # correct SSSR count
201: ok 4283 # ring membership passed
201: ok 4284 # correct SSSR count
201: ok 4285 # ring membership passed
201: ok 4286 # correct SSSR count
201: ok 4287 # ring membership passed
201: ok 4288 # correct SSSR count
201: ok 4289 # ring membership passed
201: ok 4290 # correct SSSR count
201: ok 4291 # ring membership passed
201: ok 4292 # correct SSSR count
201: ok 4293 # ring membership passed
201: ok 4294 # correct SSSR count
201: ok 4295 # ring membership passed
201: ok 4296 # correct SSSR count
201: ok 4297 # ring membership passed
201: ok 4298 # correct SSSR count
201: ok 4299 # ring membership passed
201: ok 4300 # correct SSSR count
201: ok 4301 # ring membership passed
201: ok 4302 # correct ring bond data
201: ok 4303 # correct ring bond data
201: ok 4304 # correct ring bond data
201: ok 4305 # correct ring bond data
201: ok 4306 # correct ring bond data
201: ok 4307 # correct ring bond data
201: ok 4308 # correct ring bond data
201: ok 4309 # correct ring bond data
201: ok 4310 # correct ring bond data
201: ok 4311 # correct ring bond data
201: ok 4312 # correct ring bond data
201: ok 4313 # correct ring bond data
201: ok 4314 # correct ring bond data
201: ok 4315 # correct ring bond data
201: ok 4316 # correct ring bond data
201: ok 4317 # correct ring bond data
201: ok 4318 # correct ring bond data
201: ok 4319 # correct ring bond data
201: ok 4320 # correct ring bond data
201: ok 4321 # SSSR size matches reference
201: ok 4322 # correct SSSR count
201: ok 4323 # ring membership passed
201: ok 4324 # correct SSSR count
201: ok 4325 # ring membership passed
201: ok 4326 # correct SSSR count
201: ok 4327 # ring membership passed
201: ok 4328 # correct SSSR count
201: ok 4329 # ring membership passed
201: ok 4330 # correct SSSR count
201: ok 4331 # ring membership passed
201: ok 4332 # correct SSSR count
201: ok 4333 # ring membership passed
201: ok 4334 # correct SSSR count
201: ok 4335 # ring membership passed
201: ok 4336 # correct SSSR count
201: ok 4337 # ring membership passed
201: ok 4338 # correct SSSR count
201: ok 4339 # ring membership passed
201: ok 4340 # correct SSSR count
201: ok 4341 # ring membership passed
201: ok 4342 # correct SSSR count
201: ok 4343 # ring membership passed
201: ok 4344 # correct SSSR count
201: ok 4345 # ring membership passed
201: ok 4346 # correct SSSR count
201: ok 4347 # ring membership passed
201: ok 4348 # correct SSSR count
201: ok 4349 # ring membership passed
201: ok 4350 # correct SSSR count
201: ok 4351 # ring membership passed
201: ok 4352 # correct SSSR count
201: ok 4353 # ring membership passed
201: ok 4354 # correct SSSR count
201: ok 4355 # ring membership passed
201: ok 4356 # correct SSSR count
201: ok 4357 # ring membership passed
201: ok 4358 # correct ring bond data
201: ok 4359 # correct ring bond data
201: ok 4360 # correct ring bond data
201: ok 4361 # correct ring bond data
201: ok 4362 # correct ring bond data
201: ok 4363 # correct ring bond data
201: ok 4364 # correct ring bond data
201: ok 4365 # correct ring bond data
201: ok 4366 # correct ring bond data
201: ok 4367 # correct ring bond data
201: ok 4368 # correct ring bond data
201: ok 4369 # correct ring bond data
201: ok 4370 # correct ring bond data
201: ok 4371 # correct ring bond data
201: ok 4372 # correct ring bond data
201: ok 4373 # correct ring bond data
201: ok 4374 # correct ring bond data
201: ok 4375 # correct ring bond data
201: ok 4376 # correct ring bond data
201: ok 4377 # correct ring bond data
201: ok 4378 # SSSR size matches reference
201: ok 4379 # correct SSSR count
201: ok 4380 # ring membership passed
201: ok 4381 # correct SSSR count
201: ok 4382 # ring membership passed
201: ok 4383 # correct SSSR count
201: ok 4384 # ring membership passed
201: ok 4385 # correct SSSR count
201: ok 4386 # ring membership passed
201: ok 4387 # correct SSSR count
201: ok 4388 # ring membership passed
201: ok 4389 # correct SSSR count
201: ok 4390 # ring membership passed
201: ok 4391 # correct SSSR count
201: ok 4392 # ring membership passed
201: ok 4393 # correct SSSR count
201: ok 4394 # ring membership passed
201: ok 4395 # correct SSSR count
201: ok 4396 # ring membership passed
201: ok 4397 # correct SSSR count
201: ok 4398 # ring membership passed
201: ok 4399 # correct SSSR count
201: ok 4400 # ring membership passed
201: ok 4401 # correct SSSR count
201: ok 4402 # ring membership passed
201: ok 4403 # correct SSSR count
201: ok 4404 # ring membership passed
201: ok 4405 # correct SSSR count
201: ok 4406 # ring membership passed
201: ok 4407 # correct SSSR count
201: ok 4408 # ring membership passed
201: ok 4409 # correct SSSR count
201: ok 4410 # ring membership passed
201: ok 4411 # correct SSSR count
201: ok 4412 # ring membership passed
201: ok 4413 # correct SSSR count
201: ok 4414 # ring membership passed
201: ok 4415 # correct SSSR count
201: ok 4416 # ring membership passed
201: ok 4417 # correct ring bond data
201: ok 4418 # correct ring bond data
201: ok 4419 # correct ring bond data
201: ok 4420 # correct ring bond data
201: ok 4421 # correct ring bond data
201: ok 4422 # correct ring bond data
201: ok 4423 # correct ring bond data
201: ok 4424 # correct ring bond data
201: ok 4425 # correct ring bond data
201: ok 4426 # correct ring bond data
201: ok 4427 # correct ring bond data
201: ok 4428 # correct ring bond data
201: ok 4429 # correct ring bond data
201: ok 4430 # correct ring bond data
201: ok 4431 # correct ring bond data
201: ok 4432 # correct ring bond data
201: ok 4433 # correct ring bond data
201: ok 4434 # correct ring bond data
201: ok 4435 # correct ring bond data
201: ok 4436 # correct ring bond data
201: ok 4437 # SSSR size matches reference
201: ok 4438 # correct SSSR count
201: ok 4439 # ring membership passed
201: ok 4440 # correct SSSR count
201: ok 4441 # ring membership passed
201: ok 4442 # correct SSSR count
201: ok 4443 # ring membership passed
201: ok 4444 # correct SSSR count
201: ok 4445 # ring membership passed
201: ok 4446 # correct SSSR count
201: ok 4447 # ring membership passed
201: ok 4448 # correct SSSR count
201: ok 4449 # ring membership passed
201: ok 4450 # correct SSSR count
201: ok 4451 # ring membership passed
201: ok 4452 # correct SSSR count
201: ok 4453 # ring membership passed
201: ok 4454 # correct SSSR count
201: ok 4455 # ring membership passed
201: ok 4456 # correct SSSR count
201: ok 4457 # ring membership passed
201: ok 4458 # correct SSSR count
201: ok 4459 # ring membership passed
201: ok 4460 # correct SSSR count
201: ok 4461 # ring membership passed
201: ok 4462 # correct SSSR count
201: ok 4463 # ring membership passed
201: ok 4464 # correct SSSR count
201: ok 4465 # ring membership passed
201: ok 4466 # correct SSSR count
201: ok 4467 # ring membership passed
201: ok 4468 # correct SSSR count
201: ok 4469 # ring membership passed
201: ok 4470 # correct SSSR count
201: ok 4471 # ring membership passed
201: ok 4472 # correct SSSR count
201: ok 4473 # ring membership passed
201: ok 4474 # correct SSSR count
201: ok 4475 # ring membership passed
201: ok 4476 # correct ring bond data
201: ok 4477 # correct ring bond data
201: ok 4478 # correct ring bond data
201: ok 4479 # correct ring bond data
201: ok 4480 # correct ring bond data
201: ok 4481 # correct ring bond data
201: ok 4482 # correct ring bond data
201: ok 4483 # correct ring bond data
201: ok 4484 # correct ring bond data
201: ok 4485 # correct ring bond data
201: ok 4486 # correct ring bond data
201: ok 4487 # correct ring bond data
201: ok 4488 # correct ring bond data
201: ok 4489 # correct ring bond data
201: ok 4490 # correct ring bond data
201: ok 4491 # correct ring bond data
201: ok 4492 # correct ring bond data
201: ok 4493 # correct ring bond data
201: ok 4494 # correct ring bond data
201: ok 4495 # correct ring bond data
201: ok 4496 # correct ring bond data
201: ok 4497 # SSSR size matches reference
201: ok 4498 # correct SSSR count
201: ok 4499 # ring membership passed
201: ok 4500 # correct SSSR count
201: ok 4501 # ring membership passed
201: ok 4502 # correct SSSR count
201: ok 4503 # ring membership passed
201: ok 4504 # correct SSSR count
201: ok 4505 # ring membership passed
201: ok 4506 # correct SSSR count
201: ok 4507 # ring membership passed
201: ok 4508 # correct SSSR count
201: ok 4509 # ring membership passed
201: ok 4510 # correct SSSR count
201: ok 4511 # ring membership passed
201: ok 4512 # correct SSSR count
201: ok 4513 # ring membership passed
201: ok 4514 # correct SSSR count
201: ok 4515 # ring membership passed
201: ok 4516 # correct SSSR count
201: ok 4517 # ring membership passed
201: ok 4518 # correct SSSR count
201: ok 4519 # ring membership passed
201: ok 4520 # correct SSSR count
201: ok 4521 # ring membership passed
201: ok 4522 # correct SSSR count
201: ok 4523 # ring membership passed
201: ok 4524 # correct SSSR count
201: ok 4525 # ring membership passed
201: ok 4526 # correct SSSR count
201: ok 4527 # ring membership passed
201: ok 4528 # correct SSSR count
201: ok 4529 # ring membership passed
201: ok 4530 # correct SSSR count
201: ok 4531 # ring membership passed
201: ok 4532 # correct SSSR count
201: ok 4533 # ring membership passed
201: ok 4534 # correct SSSR count
201: ok 4535 # ring membership passed
201: ok 4536 # correct SSSR count
201: ok 4537 # ring membership passed
201: ok 4538 # correct ring bond data
201: ok 4539 # correct ring bond data
201: ok 4540 # correct ring bond data
201: ok 4541 # correct ring bond data
201: ok 4542 # correct ring bond data
201: ok 4543 # correct ring bond data
201: ok 4544 # correct ring bond data
201: ok 4545 # correct ring bond data
201: ok 4546 # correct ring bond data
201: ok 4547 # correct ring bond data
201: ok 4548 # correct ring bond data
201: ok 4549 # correct ring bond data
201: ok 4550 # correct ring bond data
201: ok 4551 # correct ring bond data
201: ok 4552 # correct ring bond data
201: ok 4553 # correct ring bond data
201: ok 4554 # correct ring bond data
201: ok 4555 # correct ring bond data
201: ok 4556 # correct ring bond data
201: ok 4557 # correct ring bond data
201: ok 4558 # correct ring bond data
201: ok 4559 # SSSR size matches reference
201: ok 4560 # correct SSSR count
201: ok 4561 # ring membership passed
201: ok 4562 # correct SSSR count
201: ok 4563 # ring membership passed
201: ok 4564 # correct SSSR count
201: ok 4565 # ring membership passed
201: ok 4566 # correct SSSR count
201: ok 4567 # ring membership passed
201: ok 4568 # correct SSSR count
201: ok 4569 # ring membership passed
201: ok 4570 # correct SSSR count
201: ok 4571 # ring membership passed
201: ok 4572 # correct SSSR count
201: ok 4573 # ring membership passed
201: ok 4574 # correct SSSR count
201: ok 4575 # ring membership passed
201: ok 4576 # correct SSSR count
201: ok 4577 # ring membership passed
201: ok 4578 # correct SSSR count
201: ok 4579 # ring membership passed
201: ok 4580 # correct SSSR count
201: ok 4581 # ring membership passed
201: ok 4582 # correct SSSR count
201: ok 4583 # ring membership passed
201: ok 4584 # correct SSSR count
201: ok 4585 # ring membership passed
201: ok 4586 # correct SSSR count
201: ok 4587 # ring membership passed
201: ok 4588 # correct SSSR count
201: ok 4589 # ring membership passed
201: ok 4590 # correct SSSR count
201: ok 4591 # ring membership passed
201: ok 4592 # correct SSSR count
201: ok 4593 # ring membership passed
201: ok 4594 # correct SSSR count
201: ok 4595 # ring membership passed
201: ok 4596 # correct SSSR count
201: ok 4597 # ring membership passed
201: ok 4598 # correct SSSR count
201: ok 4599 # ring membership passed
201: ok 4600 # correct ring bond data
201: ok 4601 # correct ring bond data
201: ok 4602 # correct ring bond data
201: ok 4603 # correct ring bond data
201: ok 4604 # correct ring bond data
201: ok 4605 # correct ring bond data
201: ok 4606 # correct ring bond data
201: ok 4607 # correct ring bond data
201: ok 4608 # correct ring bond data
201: ok 4609 # correct ring bond data
201: ok 4610 # correct ring bond data
201: ok 4611 # correct ring bond data
201: ok 4612 # correct ring bond data
201: ok 4613 # correct ring bond data
201: ok 4614 # correct ring bond data
201: ok 4615 # correct ring bond data
201: ok 4616 # correct ring bond data
201: ok 4617 # correct ring bond data
201: ok 4618 # correct ring bond data
201: ok 4619 # correct ring bond data
201: ok 4620 # correct ring bond data
201: ok 4621 # SSSR size matches reference
201: ok 4622 # correct SSSR count
201: ok 4623 # ring membership passed
201: ok 4624 # correct SSSR count
201: ok 4625 # ring membership passed
201: ok 4626 # correct SSSR count
201: ok 4627 # ring membership passed
201: ok 4628 # correct SSSR count
201: ok 4629 # ring membership passed
201: ok 4630 # correct SSSR count
201: ok 4631 # ring membership passed
201: ok 4632 # correct SSSR count
201: ok 4633 # ring membership passed
201: ok 4634 # correct SSSR count
201: ok 4635 # ring membership passed
201: ok 4636 # correct SSSR count
201: ok 4637 # ring membership passed
201: ok 4638 # correct SSSR count
201: ok 4639 # ring membership passed
201: ok 4640 # correct SSSR count
201: ok 4641 # ring membership passed
201: ok 4642 # correct SSSR count
201: ok 4643 # ring membership passed
201: ok 4644 # correct SSSR count
201: ok 4645 # ring membership passed
201: ok 4646 # correct SSSR count
201: ok 4647 # ring membership passed
201: ok 4648 # correct SSSR count
201: ok 4649 # ring membership passed
201: ok 4650 # correct SSSR count
201: ok 4651 # ring membership passed
201: ok 4652 # correct SSSR count
201: ok 4653 # ring membership passed
201: ok 4654 # correct SSSR count
201: ok 4655 # ring membership passed
201: ok 4656 # correct SSSR count
201: ok 4657 # ring membership passed
201: ok 4658 # correct SSSR count
201: ok 4659 # ring membership passed
201: ok 4660 # correct SSSR count
201: ok 4661 # ring membership passed
201: ok 4662 # correct ring bond data
201: ok 4663 # correct ring bond data
201: ok 4664 # correct ring bond data
201: ok 4665 # correct ring bond data
201: ok 4666 # correct ring bond data
201: ok 4667 # correct ring bond data
201: ok 4668 # correct ring bond data
201: ok 4669 # correct ring bond data
201: ok 4670 # correct ring bond data
201: ok 4671 # correct ring bond data
201: ok 4672 # correct ring bond data
201: ok 4673 # correct ring bond data
201: ok 4674 # correct ring bond data
201: ok 4675 # correct ring bond data
201: ok 4676 # correct ring bond data
201: ok 4677 # SSSR size matches reference
201: ok 4678 # correct SSSR count
201: ok 4679 # ring membership passed
201: ok 4680 # correct SSSR count
201: ok 4681 # ring membership passed
201: ok 4682 # correct SSSR count
201: ok 4683 # ring membership passed
201: ok 4684 # correct SSSR count
201: ok 4685 # ring membership passed
201: ok 4686 # correct SSSR count
201: ok 4687 # ring membership passed
201: ok 4688 # correct SSSR count
201: ok 4689 # ring membership passed
201: ok 4690 # correct SSSR count
201: ok 4691 # ring membership passed
201: ok 4692 # correct SSSR count
201: ok 4693 # ring membership passed
201: ok 4694 # correct SSSR count
201: ok 4695 # ring membership passed
201: ok 4696 # correct SSSR count
201: ok 4697 # ring membership passed
201: ok 4698 # correct SSSR count
201: ok 4699 # ring membership passed
201: ok 4700 # correct SSSR count
201: ok 4701 # ring membership passed
201: ok 4702 # correct SSSR count
201: ok 4703 # ring membership passed
201: ok 4704 # correct SSSR count
201: ok 4705 # ring membership passed
201: ok 4706 # correct ring bond data
201: ok 4707 # correct ring bond data
201: ok 4708 # correct ring bond data
201: ok 4709 # correct ring bond data
201: ok 4710 # correct ring bond data
201: ok 4711 # correct ring bond data
201: ok 4712 # correct ring bond data
201: ok 4713 # correct ring bond data
201: ok 4714 # correct ring bond data
201: ok 4715 # correct ring bond data
201: ok 4716 # correct ring bond data
201: ok 4717 # correct ring bond data
201: ok 4718 # correct ring bond data
201: ok 4719 # correct ring bond data
201: ok 4720 # correct ring bond data
201: ok 4721 # correct ring bond data
201: ok 4722 # correct ring bond data
201: ok 4723 # correct ring bond data
201: ok 4724 # SSSR size matches reference
201: ok 4725 # correct SSSR count
201: ok 4726 # ring membership passed
201: ok 4727 # correct SSSR count
201: ok 4728 # ring membership passed
201: ok 4729 # correct SSSR count
201: ok 4730 # ring membership passed
201: ok 4731 # correct SSSR count
201: ok 4732 # ring membership passed
201: ok 4733 # correct SSSR count
201: ok 4734 # ring membership passed
201: ok 4735 # correct SSSR count
201: ok 4736 # ring membership passed
201: ok 4737 # correct SSSR count
201: ok 4738 # ring membership passed
201: ok 4739 # correct SSSR count
201: ok 4740 # ring membership passed
201: ok 4741 # correct SSSR count
201: ok 4742 # ring membership passed
201: ok 4743 # correct SSSR count
201: ok 4744 # ring membership passed
201: ok 4745 # correct SSSR count
201: ok 4746 # ring membership passed
201: ok 4747 # correct SSSR count
201: ok 4748 # ring membership passed
201: ok 4749 # correct SSSR count
201: ok 4750 # ring membership passed
201: ok 4751 # correct SSSR count
201: ok 4752 # ring membership passed
201: ok 4753 # correct SSSR count
201: ok 4754 # ring membership passed
201: ok 4755 # correct SSSR count
201: ok 4756 # ring membership passed
201: ok 4757 # correct SSSR count
201: ok 4758 # ring membership passed
201: ok 4759 # correct ring bond data
201: ok 4760 # correct ring bond data
201: ok 4761 # correct ring bond data
201: ok 4762 # correct ring bond data
201: ok 4763 # correct ring bond data
201: ok 4764 # correct ring bond data
201: ok 4765 # correct ring bond data
201: ok 4766 # correct ring bond data
201: ok 4767 # correct ring bond data
201: ok 4768 # correct ring bond data
201: ok 4769 # correct ring bond data
201: ok 4770 # correct ring bond data
201: ok 4771 # correct ring bond data
201: ok 4772 # correct ring bond data
201: ok 4773 # correct ring bond data
201: ok 4774 # correct ring bond data
201: ok 4775 # correct ring bond data
201: ok 4776 # correct ring bond data
201: ok 4777 # SSSR size matches reference
201: ok 4778 # correct SSSR count
201: ok 4779 # ring membership passed
201: ok 4780 # correct SSSR count
201: ok 4781 # ring membership passed
201: ok 4782 # correct SSSR count
201: ok 4783 # ring membership passed
201: ok 4784 # correct SSSR count
201: ok 4785 # ring membership passed
201: ok 4786 # correct SSSR count
201: ok 4787 # ring membership passed
201: ok 4788 # correct SSSR count
201: ok 4789 # ring membership passed
201: ok 4790 # correct SSSR count
201: ok 4791 # ring membership passed
201: ok 4792 # correct SSSR count
201: ok 4793 # ring membership passed
201: ok 4794 # correct SSSR count
201: ok 4795 # ring membership passed
201: ok 4796 # correct SSSR count
201: ok 4797 # ring membership passed
201: ok 4798 # correct SSSR count
201: ok 4799 # ring membership passed
201: ok 4800 # correct SSSR count
201: ok 4801 # ring membership passed
201: ok 4802 # correct SSSR count
201: ok 4803 # ring membership passed
201: ok 4804 # correct SSSR count
201: ok 4805 # ring membership passed
201: ok 4806 # correct SSSR count
201: ok 4807 # ring membership passed
201: ok 4808 # correct SSSR count
201: ok 4809 # ring membership passed
201: ok 4810 # correct SSSR count
201: ok 4811 # ring membership passed
201: ok 4812 # correct ring bond data
201: ok 4813 # correct ring bond data
201: ok 4814 # correct ring bond data
201: ok 4815 # correct ring bond data
201: ok 4816 # correct ring bond data
201: ok 4817 # correct ring bond data
201: ok 4818 # correct ring bond data
201: ok 4819 # correct ring bond data
201: ok 4820 # correct ring bond data
201: ok 4821 # correct ring bond data
201: ok 4822 # correct ring bond data
201: ok 4823 # correct ring bond data
201: ok 4824 # correct ring bond data
201: ok 4825 # correct ring bond data
201: ok 4826 # correct ring bond data
201: ok 4827 # correct ring bond data
201: ok 4828 # correct ring bond data
201: ok 4829 # correct ring bond data
201: ok 4830 # correct ring bond data
201: ok 4831 # correct ring bond data
201: ok 4832 # SSSR size matches reference
201: ok 4833 # correct SSSR count
201: ok 4834 # ring membership passed
201: ok 4835 # correct SSSR count
201: ok 4836 # ring membership passed
201: ok 4837 # correct SSSR count
201: ok 4838 # ring membership passed
201: ok 4839 # correct SSSR count
201: ok 4840 # ring membership passed
201: ok 4841 # correct SSSR count
201: ok 4842 # ring membership passed
201: ok 4843 # correct SSSR count
201: ok 4844 # ring membership passed
201: ok 4845 # correct SSSR count
201: ok 4846 # ring membership passed
201: ok 4847 # correct SSSR count
201: ok 4848 # ring membership passed
201: ok 4849 # correct SSSR count
201: ok 4850 # ring membership passed
201: ok 4851 # correct SSSR count
201: ok 4852 # ring membership passed
201: ok 4853 # correct SSSR count
201: ok 4854 # ring membership passed
201: ok 4855 # correct SSSR count
201: ok 4856 # ring membership passed
201: ok 4857 # correct SSSR count
201: ok 4858 # ring membership passed
201: ok 4859 # correct SSSR count
201: ok 4860 # ring membership passed
201: ok 4861 # correct SSSR count
201: ok 4862 # ring membership passed
201: ok 4863 # correct SSSR count
201: ok 4864 # ring membership passed
201: ok 4865 # correct SSSR count
201: ok 4866 # ring membership passed
201: ok 4867 # correct SSSR count
201: ok 4868 # ring membership passed
201: ok 4869 # correct SSSR count
201: ok 4870 # ring membership passed
201: ok 4871 # correct ring bond data
201: ok 4872 # correct ring bond data
201: ok 4873 # correct ring bond data
201: ok 4874 # correct ring bond data
201: ok 4875 # correct ring bond data
201: ok 4876 # correct ring bond data
201: ok 4877 # correct ring bond data
201: ok 4878 # correct ring bond data
201: ok 4879 # correct ring bond data
201: ok 4880 # correct ring bond data
201: ok 4881 # correct ring bond data
201: ok 4882 # correct ring bond data
201: ok 4883 # correct ring bond data
201: ok 4884 # correct ring bond data
201: ok 4885 # correct ring bond data
201: ok 4886 # correct ring bond data
201: ok 4887 # correct ring bond data
201: ok 4888 # correct ring bond data
201: ok 4889 # correct ring bond data
201: ok 4890 # correct ring bond data
201: ok 4891 # correct ring bond data
201: ok 4892 # SSSR size matches reference
201: ok 4893 # correct SSSR count
201: ok 4894 # ring membership passed
201: ok 4895 # correct SSSR count
201: ok 4896 # ring membership passed
201: ok 4897 # correct SSSR count
201: ok 4898 # ring membership passed
201: ok 4899 # correct SSSR count
201: ok 4900 # ring membership passed
201: ok 4901 # correct SSSR count
201: ok 4902 # ring membership passed
201: ok 4903 # correct SSSR count
201: ok 4904 # ring membership passed
201: ok 4905 # correct SSSR count
201: ok 4906 # ring membership passed
201: ok 4907 # correct SSSR count
201: ok 4908 # ring membership passed
201: ok 4909 # correct SSSR count
201: ok 4910 # ring membership passed
201: ok 4911 # correct SSSR count
201: ok 4912 # ring membership passed
201: ok 4913 # correct SSSR count
201: ok 4914 # ring membership passed
201: ok 4915 # correct SSSR count
201: ok 4916 # ring membership passed
201: ok 4917 # correct SSSR count
201: ok 4918 # ring membership passed
201: ok 4919 # correct SSSR count
201: ok 4920 # ring membership passed
201: ok 4921 # correct SSSR count
201: ok 4922 # ring membership passed
201: ok 4923 # correct SSSR count
201: ok 4924 # ring membership passed
201: ok 4925 # correct SSSR count
201: ok 4926 # ring membership passed
201: ok 4927 # correct SSSR count
201: ok 4928 # ring membership passed
201: ok 4929 # correct SSSR count
201: ok 4930 # ring membership passed
201: ok 4931 # correct SSSR count
201: ok 4932 # ring membership passed
201: ok 4933 # correct ring bond data
201: ok 4934 # correct ring bond data
201: ok 4935 # correct ring bond data
201: ok 4936 # correct ring bond data
201: ok 4937 # correct ring bond data
201: ok 4938 # correct ring bond data
201: ok 4939 # correct ring bond data
201: ok 4940 # correct ring bond data
201: ok 4941 # correct ring bond data
201: ok 4942 # correct ring bond data
201: ok 4943 # correct ring bond data
201: ok 4944 # correct ring bond data
201: ok 4945 # correct ring bond data
201: ok 4946 # correct ring bond data
201: ok 4947 # correct ring bond data
201: ok 4948 # correct ring bond data
201: ok 4949 # correct ring bond data
201: ok 4950 # correct ring bond data
201: ok 4951 # correct ring bond data
201: ok 4952 # SSSR size matches reference
201: ok 4953 # correct SSSR count
201: ok 4954 # ring membership passed
201: ok 4955 # correct SSSR count
201: ok 4956 # ring membership passed
201: ok 4957 # correct SSSR count
201: ok 4958 # ring membership passed
201: ok 4959 # correct SSSR count
201: ok 4960 # ring membership passed
201: ok 4961 # correct SSSR count
201: ok 4962 # ring membership passed
201: ok 4963 # correct SSSR count
201: ok 4964 # ring membership passed
201: ok 4965 # correct SSSR count
201: ok 4966 # ring membership passed
201: ok 4967 # correct SSSR count
201: ok 4968 # ring membership passed
201: ok 4969 # correct SSSR count
201: ok 4970 # ring membership passed
201: ok 4971 # correct SSSR count
201: ok 4972 # ring membership passed
201: ok 4973 # correct SSSR count
201: ok 4974 # ring membership passed
201: ok 4975 # correct SSSR count
201: ok 4976 # ring membership passed
201: ok 4977 # correct SSSR count
201: ok 4978 # ring membership passed
201: ok 4979 # correct SSSR count
201: ok 4980 # ring membership passed
201: ok 4981 # correct SSSR count
201: ok 4982 # ring membership passed
201: ok 4983 # correct SSSR count
201: ok 4984 # ring membership passed
201: ok 4985 # correct SSSR count
201: ok 4986 # ring membership passed
201: ok 4987 # correct SSSR count
201: ok 4988 # ring membership passed
201: ok 4989 # correct ring bond data
201: ok 4990 # correct ring bond data
201: ok 4991 # correct ring bond data
201: ok 4992 # correct ring bond data
201: ok 4993 # correct ring bond data
201: ok 4994 # correct ring bond data
201: ok 4995 # correct ring bond data
201: ok 4996 # correct ring bond data
201: ok 4997 # correct ring bond data
201: ok 4998 # correct ring bond data
201: ok 4999 # correct ring bond data
201: ok 5000 # correct ring bond data
201: ok 5001 # correct ring bond data
201: ok 5002 # correct ring bond data
201: ok 5003 # correct ring bond data
201: ok 5004 # correct ring bond data
201: ok 5005 # correct ring bond data
201: ok 5006 # correct ring bond data
201: ok 5007 # correct ring bond data
201: ok 5008 # SSSR size matches reference
201: ok 5009 # correct SSSR count
201: ok 5010 # ring membership passed
201: ok 5011 # correct SSSR count
201: ok 5012 # ring membership passed
201: ok 5013 # correct SSSR count
201: ok 5014 # ring membership passed
201: ok 5015 # correct SSSR count
201: ok 5016 # ring membership passed
201: ok 5017 # correct SSSR count
201: ok 5018 # ring membership passed
201: ok 5019 # correct SSSR count
201: ok 5020 # ring membership passed
201: ok 5021 # correct SSSR count
201: ok 5022 # ring membership passed
201: ok 5023 # correct SSSR count
201: ok 5024 # ring membership passed
201: ok 5025 # correct SSSR count
201: ok 5026 # ring membership passed
201: ok 5027 # correct SSSR count
201: ok 5028 # ring membership passed
201: ok 5029 # correct SSSR count
201: ok 5030 # ring membership passed
201: ok 5031 # correct SSSR count
201: ok 5032 # ring membership passed
201: ok 5033 # correct SSSR count
201: ok 5034 # ring membership passed
201: ok 5035 # correct SSSR count
201: ok 5036 # ring membership passed
201: ok 5037 # correct SSSR count
201: ok 5038 # ring membership passed
201: ok 5039 # correct SSSR count
201: ok 5040 # ring membership passed
201: ok 5041 # correct SSSR count
201: ok 5042 # ring membership passed
201: ok 5043 # correct SSSR count
201: ok 5044 # ring membership passed
201: ok 5045 # correct ring bond data
201: ok 5046 # correct ring bond data
201: ok 5047 # correct ring bond data
201: ok 5048 # correct ring bond data
201: ok 5049 # correct ring bond data
201: ok 5050 # correct ring bond data
201: ok 5051 # correct ring bond data
201: ok 5052 # correct ring bond data
201: ok 5053 # correct ring bond data
201: ok 5054 # correct ring bond data
201: ok 5055 # correct ring bond data
201: ok 5056 # correct ring bond data
201: ok 5057 # correct ring bond data
201: ok 5058 # correct ring bond data
201: ok 5059 # correct ring bond data
201: ok 5060 # correct ring bond data
201: ok 5061 # correct ring bond data
201: ok 5062 # correct ring bond data
201: ok 5063 # correct ring bond data
201: ok 5064 # correct ring bond data
201: ok 5065 # SSSR size matches reference
201: ok 5066 # correct SSSR count
201: ok 5067 # ring membership passed
201: ok 5068 # correct SSSR count
201: ok 5069 # ring membership passed
201: ok 5070 # correct SSSR count
201: ok 5071 # ring membership passed
201: ok 5072 # correct SSSR count
201: ok 5073 # ring membership passed
201: ok 5074 # correct SSSR count
201: ok 5075 # ring membership passed
201: ok 5076 # correct SSSR count
201: ok 5077 # ring membership passed
201: ok 5078 # correct SSSR count
201: ok 5079 # ring membership passed
201: ok 5080 # correct SSSR count
201: ok 5081 # ring membership passed
201: ok 5082 # correct SSSR count
201: ok 5083 # ring membership passed
201: ok 5084 # correct SSSR count
201: ok 5085 # ring membership passed
201: ok 5086 # correct SSSR count
201: ok 5087 # ring membership passed
201: ok 5088 # correct SSSR count
201: ok 5089 # ring membership passed
201: ok 5090 # correct SSSR count
201: ok 5091 # ring membership passed
201: ok 5092 # correct SSSR count
201: ok 5093 # ring membership passed
201: ok 5094 # correct SSSR count
201: ok 5095 # ring membership passed
201: ok 5096 # correct SSSR count
201: ok 5097 # ring membership passed
201: ok 5098 # correct SSSR count
201: ok 5099 # ring membership passed
201: ok 5100 # correct SSSR count
201: ok 5101 # ring membership passed
201: ok 5102 # correct SSSR count
201: ok 5103 # ring membership passed
201: ok 5104 # correct ring bond data
201: ok 5105 # correct ring bond data
201: ok 5106 # correct ring bond data
201: ok 5107 # correct ring bond data
201: ok 5108 # correct ring bond data
201: ok 5109 # correct ring bond data
201: ok 5110 # correct ring bond data
201: ok 5111 # correct ring bond data
201: ok 5112 # correct ring bond data
201: ok 5113 # correct ring bond data
201: ok 5114 # correct ring bond data
201: ok 5115 # correct ring bond data
201: ok 5116 # correct ring bond data
201: ok 5117 # correct ring bond data
201: ok 5118 # correct ring bond data
201: ok 5119 # correct ring bond data
201: ok 5120 # correct ring bond data
201: ok 5121 # correct ring bond data
201: ok 5122 # correct ring bond data
201: ok 5123 # SSSR size matches reference
201: ok 5124 # correct SSSR count
201: ok 5125 # ring membership passed
201: ok 5126 # correct SSSR count
201: ok 5127 # ring membership passed
201: ok 5128 # correct SSSR count
201: ok 5129 # ring membership passed
201: ok 5130 # correct SSSR count
201: ok 5131 # ring membership passed
201: ok 5132 # correct SSSR count
201: ok 5133 # ring membership passed
201: ok 5134 # correct SSSR count
201: ok 5135 # ring membership passed
201: ok 5136 # correct SSSR count
201: ok 5137 # ring membership passed
201: ok 5138 # correct SSSR count
201: ok 5139 # ring membership passed
201: ok 5140 # correct SSSR count
201: ok 5141 # ring membership passed
201: ok 5142 # correct SSSR count
201: ok 5143 # ring membership passed
201: ok 5144 # correct SSSR count
201: ok 5145 # ring membership passed
201: ok 5146 # correct SSSR count
201: ok 5147 # ring membership passed
201: ok 5148 # correct SSSR count
201: ok 5149 # ring membership passed
201: ok 5150 # correct SSSR count
201: ok 5151 # ring membership passed
201: ok 5152 # correct SSSR count
201: ok 5153 # ring membership passed
201: ok 5154 # correct SSSR count
201: ok 5155 # ring membership passed
201: ok 5156 # correct SSSR count
201: ok 5157 # ring membership passed
201: ok 5158 # correct SSSR count
201: ok 5159 # ring membership passed
201: ok 5160 # correct ring bond data
201: ok 5161 # correct ring bond data
201: ok 5162 # correct ring bond data
201: ok 5163 # correct ring bond data
201: ok 5164 # correct ring bond data
201: ok 5165 # correct ring bond data
201: ok 5166 # correct ring bond data
201: ok 5167 # correct ring bond data
201: ok 5168 # correct ring bond data
201: ok 5169 # correct ring bond data
201: ok 5170 # correct ring bond data
201: ok 5171 # correct ring bond data
201: ok 5172 # correct ring bond data
201: ok 5173 # correct ring bond data
201: ok 5174 # correct ring bond data
201: ok 5175 # correct ring bond data
201: ok 5176 # correct ring bond data
201: ok 5177 # correct ring bond data
201: ok 5178 # correct ring bond data
201: ok 5179 # correct ring bond data
201: ok 5180 # correct ring bond data
201: ok 5181 # SSSR size matches reference
201: ok 5182 # correct SSSR count
201: ok 5183 # ring membership passed
201: ok 5184 # correct SSSR count
201: ok 5185 # ring membership passed
201: ok 5186 # correct SSSR count
201: ok 5187 # ring membership passed
201: ok 5188 # correct SSSR count
201: ok 5189 # ring membership passed
201: ok 5190 # correct SSSR count
201: ok 5191 # ring membership passed
201: ok 5192 # correct SSSR count
201: ok 5193 # ring membership passed
201: ok 5194 # correct SSSR count
201: ok 5195 # ring membership passed
201: ok 5196 # correct SSSR count
201: ok 5197 # ring membership passed
201: ok 5198 # correct SSSR count
201: ok 5199 # ring membership passed
201: ok 5200 # correct SSSR count
201: ok 5201 # ring membership passed
201: ok 5202 # correct SSSR count
201: ok 5203 # ring membership passed
201: ok 5204 # correct SSSR count
201: ok 5205 # ring membership passed
201: ok 5206 # correct SSSR count
201: ok 5207 # ring membership passed
201: ok 5208 # correct SSSR count
201: ok 5209 # ring membership passed
201: ok 5210 # correct SSSR count
201: ok 5211 # ring membership passed
201: ok 5212 # correct SSSR count
201: ok 5213 # ring membership passed
201: ok 5214 # correct SSSR count
201: ok 5215 # ring membership passed
201: ok 5216 # correct SSSR count
201: ok 5217 # ring membership passed
201: ok 5218 # correct SSSR count
201: ok 5219 # ring membership passed
201: ok 5220 # correct SSSR count
201: ok 5221 # ring membership passed
201: ok 5222 # correct ring bond data
201: ok 5223 # correct ring bond data
201: ok 5224 # correct ring bond data
201: ok 5225 # correct ring bond data
201: ok 5226 # correct ring bond data
201: ok 5227 # correct ring bond data
201: ok 5228 # correct ring bond data
201: ok 5229 # correct ring bond data
201: ok 5230 # correct ring bond data
201: ok 5231 # correct ring bond data
201: ok 5232 # correct ring bond data
201: ok 5233 # correct ring bond data
201: ok 5234 # SSSR size matches reference
201: ok 5235 # correct SSSR count
201: ok 5236 # ring membership passed
201: ok 5237 # correct SSSR count
201: ok 5238 # ring membership passed
201: ok 5239 # correct SSSR count
201: ok 5240 # ring membership passed
201: ok 5241 # correct SSSR count
201: ok 5242 # ring membership passed
201: ok 5243 # correct SSSR count
201: ok 5244 # ring membership passed
201: ok 5245 # correct SSSR count
201: ok 5246 # ring membership passed
201: ok 5247 # correct SSSR count
201: ok 5248 # ring membership passed
201: ok 5249 # correct SSSR count
201: ok 5250 # ring membership passed
201: ok 5251 # correct SSSR count
201: ok 5252 # ring membership passed
201: ok 5253 # correct SSSR count
201: ok 5254 # ring membership passed
201: ok 5255 # correct SSSR count
201: ok 5256 # ring membership passed
201: ok 5257 # correct SSSR count
201: ok 5258 # ring membership passed
201: ok 5259 # correct ring bond data
201: ok 5260 # correct ring bond data
201: ok 5261 # correct ring bond data
201: ok 5262 # correct ring bond data
201: ok 5263 # correct ring bond data
201: ok 5264 # correct ring bond data
201: ok 5265 # correct ring bond data
201: ok 5266 # correct ring bond data
201: ok 5267 # correct ring bond data
201: ok 5268 # correct ring bond data
201: ok 5269 # correct ring bond data
201: ok 5270 # correct ring bond data
201: ok 5271 # SSSR size matches reference
201: ok 5272 # correct SSSR count
201: ok 5273 # ring membership passed
201: ok 5274 # correct SSSR count
201: ok 5275 # ring membership passed
201: ok 5276 # correct SSSR count
201: ok 5277 # ring membership passed
201: ok 5278 # correct SSSR count
201: ok 5279 # ring membership passed
201: ok 5280 # correct SSSR count
201: ok 5281 # ring membership passed
201: ok 5282 # correct SSSR count
201: ok 5283 # ring membership passed
201: ok 5284 # correct SSSR count
201: ok 5285 # ring membership passed
201: ok 5286 # correct SSSR count
201: ok 5287 # ring membership passed
201: ok 5288 # correct SSSR count
201: ok 5289 # ring membership passed
201: ok 5290 # correct SSSR count
201: ok 5291 # ring membership passed
201: ok 5292 # correct SSSR count
201: ok 5293 # ring membership passed
201: ok 5294 # correct SSSR count
201: ok 5295 # ring membership passed
201: ok 5296 # correct ring bond data
201: ok 5297 # correct ring bond data
201: ok 5298 # correct ring bond data
201: ok 5299 # correct ring bond data
201: ok 5300 # correct ring bond data
201: ok 5301 # correct ring bond data
201: ok 5302 # correct ring bond data
201: ok 5303 # correct ring bond data
201: ok 5304 # correct ring bond data
201: ok 5305 # correct ring bond data
201: ok 5306 # correct ring bond data
201: ok 5307 # correct ring bond data
201: ok 5308 # correct ring bond data
201: ok 5309 # correct ring bond data
201: ok 5310 # correct ring bond data
201: ok 5311 # correct ring bond data
201: ok 5312 # correct ring bond data
201: ok 5313 # correct ring bond data
201: ok 5314 # correct ring bond data
201: ok 5315 # correct ring bond data
201: ok 5316 # correct ring bond data
201: ok 5317 # SSSR size matches reference
201: ok 5318 # correct SSSR count
201: ok 5319 # ring membership passed
201: ok 5320 # correct SSSR count
201: ok 5321 # ring membership passed
201: ok 5322 # correct SSSR count
201: ok 5323 # ring membership passed
201: ok 5324 # correct SSSR count
201: ok 5325 # ring membership passed
201: ok 5326 # correct SSSR count
201: ok 5327 # ring membership passed
201: ok 5328 # correct SSSR count
201: ok 5329 # ring membership passed
201: ok 5330 # correct SSSR count
201: ok 5331 # ring membership passed
201: ok 5332 # correct SSSR count
201: ok 5333 # ring membership passed
201: ok 5334 # correct SSSR count
201: ok 5335 # ring membership passed
201: ok 5336 # correct SSSR count
201: ok 5337 # ring membership passed
201: ok 5338 # correct SSSR count
201: ok 5339 # ring membership passed
201: ok 5340 # correct SSSR count
201: ok 5341 # ring membership passed
201: ok 5342 # correct SSSR count
201: ok 5343 # ring membership passed
201: ok 5344 # correct SSSR count
201: ok 5345 # ring membership passed
201: ok 5346 # correct SSSR count
201: ok 5347 # ring membership passed
201: ok 5348 # correct SSSR count
201: ok 5349 # ring membership passed
201: ok 5350 # correct SSSR count
201: ok 5351 # ring membership passed
201: ok 5352 # correct SSSR count
201: ok 5353 # ring membership passed
201: ok 5354 # correct SSSR count
201: ok 5355 # ring membership passed
201: ok 5356 # correct SSSR count
201: ok 5357 # ring membership passed
201: ok 5358 # correct ring bond data
201: ok 5359 # correct ring bond data
201: ok 5360 # correct ring bond data
201: ok 5361 # correct ring bond data
201: ok 5362 # correct ring bond data
201: ok 5363 # correct ring bond data
201: ok 5364 # correct ring bond data
201: ok 5365 # correct ring bond data
201: ok 5366 # correct ring bond data
201: ok 5367 # correct ring bond data
201: ok 5368 # correct ring bond data
201: ok 5369 # correct ring bond data
201: ok 5370 # correct ring bond data
201: ok 5371 # correct ring bond data
201: ok 5372 # correct ring bond data
201: ok 5373 # correct ring bond data
201: ok 5374 # correct ring bond data
201: ok 5375 # correct ring bond data
201: ok 5376 # correct ring bond data
201: ok 5377 # correct ring bond data
201: ok 5378 # correct ring bond data
201: ok 5379 # SSSR size matches reference
201: ok 5380 # correct SSSR count
201: ok 5381 # ring membership passed
201: ok 5382 # correct SSSR count
201: ok 5383 # ring membership passed
201: ok 5384 # correct SSSR count
201: ok 5385 # ring membership passed
201: ok 5386 # correct SSSR count
201: ok 5387 # ring membership passed
201: ok 5388 # correct SSSR count
201: ok 5389 # ring membership passed
201: ok 5390 # correct SSSR count
201: ok 5391 # ring membership passed
201: ok 5392 # correct SSSR count
201: ok 5393 # ring membership passed
201: ok 5394 # correct SSSR count
201: ok 5395 # ring membership passed
201: ok 5396 # correct SSSR count
201: ok 5397 # ring membership passed
201: ok 5398 # correct SSSR count
201: ok 5399 # ring membership passed
201: ok 5400 # correct SSSR count
201: ok 5401 # ring membership passed
201: ok 5402 # correct SSSR count
201: ok 5403 # ring membership passed
201: ok 5404 # correct SSSR count
201: ok 5405 # ring membership passed
201: ok 5406 # correct SSSR count
201: ok 5407 # ring membership passed
201: ok 5408 # correct SSSR count
201: ok 5409 # ring membership passed
201: ok 5410 # correct SSSR count
201: ok 5411 # ring membership passed
201: ok 5412 # correct SSSR count
201: ok 5413 # ring membership passed
201: ok 5414 # correct SSSR count
201: ok 5415 # ring membership passed
201: ok 5416 # correct SSSR count
201: ok 5417 # ring membership passed
201: ok 5418 # correct SSSR count
201: ok 5419 # ring membership passed
201: ok 5420 # correct ring bond data
201: ok 5421 # correct ring bond data
201: ok 5422 # correct ring bond data
201: ok 5423 # correct ring bond data
201: ok 5424 # correct ring bond data
201: ok 5425 # correct ring bond data
201: ok 5426 # correct ring bond data
201: ok 5427 # correct ring bond data
201: ok 5428 # correct ring bond data
201: ok 5429 # correct ring bond data
201: ok 5430 # correct ring bond data
201: ok 5431 # correct ring bond data
201: ok 5432 # correct ring bond data
201: ok 5433 # correct ring bond data
201: ok 5434 # correct ring bond data
201: ok 5435 # SSSR size matches reference
201: ok 5436 # correct SSSR count
201: ok 5437 # ring membership passed
201: ok 5438 # correct SSSR count
201: ok 5439 # ring membership passed
201: ok 5440 # correct SSSR count
201: ok 5441 # ring membership passed
201: ok 5442 # correct SSSR count
201: ok 5443 # ring membership passed
201: ok 5444 # correct SSSR count
201: ok 5445 # ring membership passed
201: ok 5446 # correct SSSR count
201: ok 5447 # ring membership passed
201: ok 5448 # correct SSSR count
201: ok 5449 # ring membership passed
201: ok 5450 # correct SSSR count
201: ok 5451 # ring membership passed
201: ok 5452 # correct SSSR count
201: ok 5453 # ring membership passed
201: ok 5454 # correct SSSR count
201: ok 5455 # ring membership passed
201: ok 5456 # correct SSSR count
201: ok 5457 # ring membership passed
201: ok 5458 # correct SSSR count
201: ok 5459 # ring membership passed
201: ok 5460 # correct SSSR count
201: ok 5461 # ring membership passed
201: ok 5462 # correct SSSR count
201: ok 5463 # ring membership passed
201: ok 5464 # correct SSSR count
201: ok 5465 # ring membership passed
201: ok 5466 # correct ring bond data
201: ok 5467 # correct ring bond data
201: ok 5468 # correct ring bond data
201: ok 5469 # correct ring bond data
201: ok 5470 # correct ring bond data
201: ok 5471 # correct ring bond data
201: ok 5472 # correct ring bond data
201: ok 5473 # correct ring bond data
201: ok 5474 # correct ring bond data
201: ok 5475 # correct ring bond data
201: ok 5476 # correct ring bond data
201: ok 5477 # correct ring bond data
201: ok 5478 # correct ring bond data
201: ok 5479 # correct ring bond data
201: ok 5480 # correct ring bond data
201: ok 5481 # correct ring bond data
201: ok 5482 # correct ring bond data
201: ok 5483 # correct ring bond data
201: ok 5484 # correct ring bond data
201: ok 5485 # SSSR size matches reference
201: ok 5486 # correct SSSR count
201: ok 5487 # ring membership passed
201: ok 5488 # correct SSSR count
201: ok 5489 # ring membership passed
201: ok 5490 # correct SSSR count
201: ok 5491 # ring membership passed
201: ok 5492 # correct SSSR count
201: ok 5493 # ring membership passed
201: ok 5494 # correct SSSR count
201: ok 5495 # ring membership passed
201: ok 5496 # correct SSSR count
201: ok 5497 # ring membership passed
201: ok 5498 # correct SSSR count
201: ok 5499 # ring membership passed
201: ok 5500 # correct SSSR count
201: ok 5501 # ring membership passed
201: ok 5502 # correct SSSR count
201: ok 5503 # ring membership passed
201: ok 5504 # correct SSSR count
201: ok 5505 # ring membership passed
201: ok 5506 # correct SSSR count
201: ok 5507 # ring membership passed
201: ok 5508 # correct SSSR count
201: ok 5509 # ring membership passed
201: ok 5510 # correct SSSR count
201: ok 5511 # ring membership passed
201: ok 5512 # correct SSSR count
201: ok 5513 # ring membership passed
201: ok 5514 # correct SSSR count
201: ok 5515 # ring membership passed
201: ok 5516 # correct SSSR count
201: ok 5517 # ring membership passed
201: ok 5518 # correct SSSR count
201: ok 5519 # ring membership passed
201: ok 5520 # correct SSSR count
201: ok 5521 # ring membership passed
201: ok 5522 # correct SSSR count
201: ok 5523 # ring membership passed
201: ok 5524 # correct ring bond data
201: ok 5525 # correct ring bond data
201: ok 5526 # correct ring bond data
201: ok 5527 # correct ring bond data
201: ok 5528 # correct ring bond data
201: ok 5529 # correct ring bond data
201: ok 5530 # correct ring bond data
201: ok 5531 # correct ring bond data
201: ok 5532 # correct ring bond data
201: ok 5533 # correct ring bond data
201: ok 5534 # correct ring bond data
201: ok 5535 # correct ring bond data
201: ok 5536 # correct ring bond data
201: ok 5537 # correct ring bond data
201: ok 5538 # correct ring bond data
201: ok 5539 # correct ring bond data
201: ok 5540 # correct ring bond data
201: ok 5541 # correct ring bond data
201: ok 5542 # correct ring bond data
201: ok 5543 # correct ring bond data
201: ok 5544 # SSSR size matches reference
201: ok 5545 # correct SSSR count
201: ok 5546 # ring membership passed
201: ok 5547 # correct SSSR count
201: ok 5548 # ring membership passed
201: ok 5549 # correct SSSR count
201: ok 5550 # ring membership passed
201: ok 5551 # correct SSSR count
201: ok 5552 # ring membership passed
201: ok 5553 # correct SSSR count
201: ok 5554 # ring membership passed
201: ok 5555 # correct SSSR count
201: ok 5556 # ring membership passed
201: ok 5557 # correct SSSR count
201: ok 5558 # ring membership passed
201: ok 5559 # correct SSSR count
201: ok 5560 # ring membership passed
201: ok 5561 # correct SSSR count
201: ok 5562 # ring membership passed
201: ok 5563 # correct SSSR count
201: ok 5564 # ring membership passed
201: ok 5565 # correct SSSR count
201: ok 5566 # ring membership passed
201: ok 5567 # correct SSSR count
201: ok 5568 # ring membership passed
201: ok 5569 # correct SSSR count
201: ok 5570 # ring membership passed
201: ok 5571 # correct SSSR count
201: ok 5572 # ring membership passed
201: ok 5573 # correct SSSR count
201: ok 5574 # ring membership passed
201: ok 5575 # correct SSSR count
201: ok 5576 # ring membership passed
201: ok 5577 # correct SSSR count
201: ok 5578 # ring membership passed
201: ok 5579 # correct SSSR count
201: ok 5580 # ring membership passed
201: ok 5581 # correct SSSR count
201: ok 5582 # ring membership passed
201: ok 5583 # correct SSSR count
201: ok 5584 # ring membership passed
201: ok 5585 # correct ring bond data
201: ok 5586 # correct ring bond data
201: ok 5587 # correct ring bond data
201: ok 5588 # correct ring bond data
201: ok 5589 # correct ring bond data
201: ok 5590 # correct ring bond data
201: ok 5591 # correct ring bond data
201: ok 5592 # correct ring bond data
201: ok 5593 # correct ring bond data
201: ok 5594 # correct ring bond data
201: ok 5595 # correct ring bond data
201: ok 5596 # correct ring bond data
201: ok 5597 # correct ring bond data
201: ok 5598 # correct ring bond data
201: ok 5599 # correct ring bond data
201: ok 5600 # correct ring bond data
201: ok 5601 # correct ring bond data
201: ok 5602 # correct ring bond data
201: ok 5603 # correct ring bond data
201: ok 5604 # correct ring bond data
201: ok 5605 # correct ring bond data
201: ok 5606 # SSSR size matches reference
201: ok 5607 # correct SSSR count
201: ok 5608 # ring membership passed
201: ok 5609 # correct SSSR count
201: ok 5610 # ring membership passed
201: ok 5611 # correct SSSR count
201: ok 5612 # ring membership passed
201: ok 5613 # correct SSSR count
201: ok 5614 # ring membership passed
201: ok 5615 # correct SSSR count
201: ok 5616 # ring membership passed
201: ok 5617 # correct SSSR count
201: ok 5618 # ring membership passed
201: ok 5619 # correct SSSR count
201: ok 5620 # ring membership passed
201: ok 5621 # correct SSSR count
201: ok 5622 # ring membership passed
201: ok 5623 # correct SSSR count
201: ok 5624 # ring membership passed
201: ok 5625 # correct SSSR count
201: ok 5626 # ring membership passed
201: ok 5627 # correct SSSR count
201: ok 5628 # ring membership passed
201: ok 5629 # correct SSSR count
201: ok 5630 # ring membership passed
201: ok 5631 # correct SSSR count
201: ok 5632 # ring membership passed
201: ok 5633 # correct SSSR count
201: ok 5634 # ring membership passed
201: ok 5635 # correct SSSR count
201: ok 5636 # ring membership passed
201: ok 5637 # correct SSSR count
201: ok 5638 # ring membership passed
201: ok 5639 # correct SSSR count
201: ok 5640 # ring membership passed
201: ok 5641 # correct SSSR count
201: ok 5642 # ring membership passed
201: ok 5643 # correct SSSR count
201: ok 5644 # ring membership passed
201: ok 5645 # correct SSSR count
201: ok 5646 # ring membership passed
201: ok 5647 # correct SSSR count
201: ok 5648 # ring membership passed
201: ok 5649 # correct ring bond data
201: ok 5650 # correct ring bond data
201: ok 5651 # correct ring bond data
201: ok 5652 # correct ring bond data
201: ok 5653 # correct ring bond data
201: ok 5654 # correct ring bond data
201: ok 5655 # correct ring bond data
201: ok 5656 # correct ring bond data
201: ok 5657 # correct ring bond data
201: ok 5658 # correct ring bond data
201: ok 5659 # correct ring bond data
201: ok 5660 # correct ring bond data
201: ok 5661 # correct ring bond data
201: ok 5662 # correct ring bond data
201: ok 5663 # correct ring bond data
201: ok 5664 # correct ring bond data
201: ok 5665 # correct ring bond data
201: ok 5666 # correct ring bond data
201: ok 5667 # correct ring bond data
201: ok 5668 # SSSR size matches reference
201: ok 5669 # correct SSSR count
201: ok 5670 # ring membership passed
201: ok 5671 # correct SSSR count
201: ok 5672 # ring membership passed
201: ok 5673 # correct SSSR count
201: ok 5674 # ring membership passed
201: ok 5675 # correct SSSR count
201: ok 5676 # ring membership passed
201: ok 5677 # correct SSSR count
201: ok 5678 # ring membership passed
201: ok 5679 # correct SSSR count
201: ok 5680 # ring membership passed
201: ok 5681 # correct SSSR count
201: ok 5682 # ring membership passed
201: ok 5683 # correct SSSR count
201: ok 5684 # ring membership passed
201: ok 5685 # correct SSSR count
201: ok 5686 # ring membership passed
201: ok 5687 # correct SSSR count
201: ok 5688 # ring membership passed
201: ok 5689 # correct SSSR count
201: ok 5690 # ring membership passed
201: ok 5691 # correct SSSR count
201: ok 5692 # ring membership passed
201: ok 5693 # correct SSSR count
201: ok 5694 # ring membership passed
201: ok 5695 # correct SSSR count
201: ok 5696 # ring membership passed
201: ok 5697 # correct SSSR count
201: ok 5698 # ring membership passed
201: ok 5699 # correct SSSR count
201: ok 5700 # ring membership passed
201: ok 5701 # correct SSSR count
201: ok 5702 # ring membership passed
201: ok 5703 # correct SSSR count
201: ok 5704 # ring membership passed
201: ok 5705 # correct SSSR count
201: ok 5706 # ring membership passed
201: ok 5707 # correct ring bond data
201: ok 5708 # correct ring bond data
201: ok 5709 # correct ring bond data
201: ok 5710 # correct ring bond data
201: ok 5711 # correct ring bond data
201: ok 5712 # correct ring bond data
201: ok 5713 # correct ring bond data
201: ok 5714 # correct ring bond data
201: ok 5715 # correct ring bond data
201: ok 5716 # correct ring bond data
201: ok 5717 # correct ring bond data
201: ok 5718 # correct ring bond data
201: ok 5719 # correct ring bond data
201: ok 5720 # correct ring bond data
201: ok 5721 # correct ring bond data
201: ok 5722 # correct ring bond data
201: ok 5723 # correct ring bond data
201: ok 5724 # correct ring bond data
201: ok 5725 # correct ring bond data
201: ok 5726 # correct ring bond data
201: ok 5727 # correct ring bond data
201: ok 5728 # correct ring bond data
201: ok 5729 # SSSR size matches reference
201: ok 5730 # correct SSSR count
201: ok 5731 # ring membership passed
201: ok 5732 # correct SSSR count
201: ok 5733 # ring membership passed
201: ok 5734 # correct SSSR count
201: ok 5735 # ring membership passed
201: ok 5736 # correct SSSR count
201: ok 5737 # ring membership passed
201: ok 5738 # correct SSSR count
201: ok 5739 # ring membership passed
201: ok 5740 # correct SSSR count
201: ok 5741 # ring membership passed
201: ok 5742 # correct SSSR count
201: ok 5743 # ring membership passed
201: ok 5744 # correct SSSR count
201: ok 5745 # ring membership passed
201: ok 5746 # correct SSSR count
201: ok 5747 # ring membership passed
201: ok 5748 # correct SSSR count
201: ok 5749 # ring membership passed
201: ok 5750 # correct SSSR count
201: ok 5751 # ring membership passed
201: ok 5752 # correct SSSR count
201: ok 5753 # ring membership passed
201: ok 5754 # correct SSSR count
201: ok 5755 # ring membership passed
201: ok 5756 # correct SSSR count
201: ok 5757 # ring membership passed
201: ok 5758 # correct SSSR count
201: ok 5759 # ring membership passed
201: ok 5760 # correct SSSR count
201: ok 5761 # ring membership passed
201: ok 5762 # correct SSSR count
201: ok 5763 # ring membership passed
201: ok 5764 # correct SSSR count
201: ok 5765 # ring membership passed
201: ok 5766 # correct SSSR count
201: ok 5767 # ring membership passed
201: ok 5768 # correct SSSR count
201: ok 5769 # ring membership passed
201: ok 5770 # correct SSSR count
201: ok 5771 # ring membership passed
201: ok 5772 # correct SSSR count
201: ok 5773 # ring membership passed
201: ok 5774 # correct ring bond data
201: ok 5775 # correct ring bond data
201: ok 5776 # correct ring bond data
201: ok 5777 # correct ring bond data
201: ok 5778 # correct ring bond data
201: ok 5779 # correct ring bond data
201: ok 5780 # correct ring bond data
201: ok 5781 # correct ring bond data
201: ok 5782 # correct ring bond data
201: ok 5783 # correct ring bond data
201: ok 5784 # correct ring bond data
201: ok 5785 # correct ring bond data
201: ok 5786 # correct ring bond data
201: ok 5787 # correct ring bond data
201: ok 5788 # SSSR size matches reference
201: ok 5789 # correct SSSR count
201: ok 5790 # ring membership passed
201: ok 5791 # correct SSSR count
201: ok 5792 # ring membership passed
201: ok 5793 # correct SSSR count
201: ok 5794 # ring membership passed
201: ok 5795 # correct SSSR count
201: ok 5796 # ring membership passed
201: ok 5797 # correct SSSR count
201: ok 5798 # ring membership passed
201: ok 5799 # correct SSSR count
201: ok 5800 # ring membership passed
201: ok 5801 # correct SSSR count
201: ok 5802 # ring membership passed
201: ok 5803 # correct SSSR count
201: ok 5804 # ring membership passed
201: ok 5805 # correct SSSR count
201: ok 5806 # ring membership passed
201: ok 5807 # correct SSSR count
201: ok 5808 # ring membership passed
201: ok 5809 # correct SSSR count
201: ok 5810 # ring membership passed
201: ok 5811 # correct SSSR count
201: ok 5812 # ring membership passed
201: ok 5813 # correct SSSR count
201: ok 5814 # ring membership passed
201: ok 5815 # correct SSSR count
201: ok 5816 # ring membership passed
201: ok 5817 # correct ring bond data
201: ok 5818 # correct ring bond data
201: ok 5819 # correct ring bond data
201: ok 5820 # correct ring bond data
201: ok 5821 # correct ring bond data
201: ok 5822 # correct ring bond data
201: ok 5823 # correct ring bond data
201: ok 5824 # correct ring bond data
201: ok 5825 # correct ring bond data
201: ok 5826 # correct ring bond data
201: ok 5827 # correct ring bond data
201: ok 5828 # correct ring bond data
201: ok 5829 # correct ring bond data
201: ok 5830 # correct ring bond data
201: ok 5831 # correct ring bond data
201: ok 5832 # correct ring bond data
201: ok 5833 # correct ring bond data
201: ok 5834 # correct ring bond data
201: ok 5835 # correct ring bond data
201: ok 5836 # correct ring bond data
201: ok 5837 # correct ring bond data
201: ok 5838 # correct ring bond data
201: ok 5839 # correct ring bond data
201: ok 5840 # correct ring bond data
201: ok 5841 # SSSR size matches reference
201: ok 5842 # correct SSSR count
201: ok 5843 # ring membership passed
201: ok 5844 # correct SSSR count
201: ok 5845 # ring membership passed
201: ok 5846 # correct SSSR count
201: ok 5847 # ring membership passed
201: ok 5848 # correct SSSR count
201: ok 5849 # ring membership passed
201: ok 5850 # correct SSSR count
201: ok 5851 # ring membership passed
201: ok 5852 # correct SSSR count
201: ok 5853 # ring membership passed
201: ok 5854 # correct SSSR count
201: ok 5855 # ring membership passed
201: ok 5856 # correct SSSR count
201: ok 5857 # ring membership passed
201: ok 5858 # correct SSSR count
201: ok 5859 # ring membership passed
201: ok 5860 # correct SSSR count
201: ok 5861 # ring membership passed
201: ok 5862 # correct SSSR count
201: ok 5863 # ring membership passed
201: ok 5864 # correct SSSR count
201: ok 5865 # ring membership passed
201: ok 5866 # correct SSSR count
201: ok 5867 # ring membership passed
201: ok 5868 # correct SSSR count
201: ok 5869 # ring membership passed
201: ok 5870 # correct SSSR count
201: ok 5871 # ring membership passed
201: ok 5872 # correct SSSR count
201: ok 5873 # ring membership passed
201: ok 5874 # correct SSSR count
201: ok 5875 # ring membership passed
201: ok 5876 # correct SSSR count
201: ok 5877 # ring membership passed
201: ok 5878 # correct SSSR count
201: ok 5879 # ring membership passed
201: ok 5880 # correct SSSR count
201: ok 5881 # ring membership passed
201: ok 5882 # correct SSSR count
201: ok 5883 # ring membership passed
201: ok 5884 # correct SSSR count
201: ok 5885 # ring membership passed
201: ok 5886 # correct SSSR count
201: ok 5887 # ring membership passed
201: ok 5888 # correct ring bond data
201: ok 5889 # correct ring bond data
201: ok 5890 # correct ring bond data
201: ok 5891 # correct ring bond data
201: ok 5892 # correct ring bond data
201: ok 5893 # correct ring bond data
201: ok 5894 # correct ring bond data
201: ok 5895 # correct ring bond data
201: ok 5896 # correct ring bond data
201: ok 5897 # correct ring bond data
201: ok 5898 # correct ring bond data
201: ok 5899 # correct ring bond data
201: ok 5900 # correct ring bond data
201: ok 5901 # correct ring bond data
201: ok 5902 # correct ring bond data
201: ok 5903 # correct ring bond data
201: ok 5904 # correct ring bond data
201: ok 5905 # correct ring bond data
201: ok 5906 # correct ring bond data
201: ok 5907 # SSSR size matches reference
201: ok 5908 # correct SSSR count
201: ok 5909 # ring membership passed
201: ok 5910 # correct SSSR count
201: ok 5911 # ring membership passed
201: ok 5912 # correct SSSR count
201: ok 5913 # ring membership passed
201: ok 5914 # correct SSSR count
201: ok 5915 # ring membership passed
201: ok 5916 # correct SSSR count
201: ok 5917 # ring membership passed
201: ok 5918 # correct SSSR count
201: ok 5919 # ring membership passed
201: ok 5920 # correct SSSR count
201: ok 5921 # ring membership passed
201: ok 5922 # correct SSSR count
201: ok 5923 # ring membership passed
201: ok 5924 # correct SSSR count
201: ok 5925 # ring membership passed
201: ok 5926 # correct SSSR count
201: ok 5927 # ring membership passed
201: ok 5928 # correct SSSR count
201: ok 5929 # ring membership passed
201: ok 5930 # correct SSSR count
201: ok 5931 # ring membership passed
201: ok 5932 # correct SSSR count
201: ok 5933 # ring membership passed
201: ok 5934 # correct SSSR count
201: ok 5935 # ring membership passed
201: ok 5936 # correct SSSR count
201: ok 5937 # ring membership passed
201: ok 5938 # correct SSSR count
201: ok 5939 # ring membership passed
201: ok 5940 # correct SSSR count
201: ok 5941 # ring membership passed
201: ok 5942 # correct SSSR count
201: ok 5943 # ring membership passed
201: ok 5944 # correct ring bond data
201: ok 5945 # correct ring bond data
201: ok 5946 # correct ring bond data
201: ok 5947 # correct ring bond data
201: ok 5948 # correct ring bond data
201: ok 5949 # correct ring bond data
201: ok 5950 # correct ring bond data
201: ok 5951 # correct ring bond data
201: ok 5952 # correct ring bond data
201: ok 5953 # correct ring bond data
201: ok 5954 # correct ring bond data
201: ok 5955 # correct ring bond data
201: ok 5956 # correct ring bond data
201: ok 5957 # correct ring bond data
201: ok 5958 # correct ring bond data
201: ok 5959 # correct ring bond data
201: ok 5960 # correct ring bond data
201: ok 5961 # correct ring bond data
201: ok 5962 # correct ring bond data
201: ok 5963 # correct ring bond data
201: ok 5964 # SSSR size matches reference
201: ok 5965 # correct SSSR count
201: ok 5966 # ring membership passed
201: ok 5967 # correct SSSR count
201: ok 5968 # ring membership passed
201: ok 5969 # correct SSSR count
201: ok 5970 # ring membership passed
201: ok 5971 # correct SSSR count
201: ok 5972 # ring membership passed
201: ok 5973 # correct SSSR count
201: ok 5974 # ring membership passed
201: ok 5975 # correct SSSR count
201: ok 5976 # ring membership passed
201: ok 5977 # correct SSSR count
201: ok 5978 # ring membership passed
201: ok 5979 # correct SSSR count
201: ok 5980 # ring membership passed
201: ok 5981 # correct SSSR count
201: ok 5982 # ring membership passed
201: ok 5983 # correct SSSR count
201: ok 5984 # ring membership passed
201: ok 5985 # correct SSSR count
201: ok 5986 # ring membership passed
201: ok 5987 # correct SSSR count
201: ok 5988 # ring membership passed
201: ok 5989 # correct SSSR count
201: ok 5990 # ring membership passed
201: ok 5991 # correct SSSR count
201: ok 5992 # ring membership passed
201: ok 5993 # correct SSSR count
201: ok 5994 # ring membership passed
201: ok 5995 # correct SSSR count
201: ok 5996 # ring membership passed
201: ok 5997 # correct SSSR count
201: ok 5998 # ring membership passed
201: ok 5999 # correct SSSR count
201: ok 6000 # ring membership passed
201: ok 6001 # correct ring bond data
201: ok 6002 # correct ring bond data
201: ok 6003 # correct ring bond data
201: ok 6004 # correct ring bond data
201: ok 6005 # correct ring bond data
201: ok 6006 # correct ring bond data
201: ok 6007 # correct ring bond data
201: ok 6008 # correct ring bond data
201: ok 6009 # correct ring bond data
201: ok 6010 # correct ring bond data
201: ok 6011 # correct ring bond data
201: ok 6012 # correct ring bond data
201: ok 6013 # correct ring bond data
201: ok 6014 # correct ring bond data
201: ok 6015 # correct ring bond data
201: ok 6016 # correct ring bond data
201: ok 6017 # correct ring bond data
201: ok 6018 # correct ring bond data
201: ok 6019 # correct ring bond data
201: ok 6020 # correct ring bond data
201: ok 6021 # correct ring bond data
201: ok 6022 # SSSR size matches reference
201: ok 6023 # correct SSSR count
201: ok 6024 # ring membership passed
201: ok 6025 # correct SSSR count
201: ok 6026 # ring membership passed
201: ok 6027 # correct SSSR count
201: ok 6028 # ring membership passed
201: ok 6029 # correct SSSR count
201: ok 6030 # ring membership passed
201: ok 6031 # correct SSSR count
201: ok 6032 # ring membership passed
201: ok 6033 # correct SSSR count
201: ok 6034 # ring membership passed
201: ok 6035 # correct SSSR count
201: ok 6036 # ring membership passed
201: ok 6037 # correct SSSR count
201: ok 6038 # ring membership passed
201: ok 6039 # correct SSSR count
201: ok 6040 # ring membership passed
201: ok 6041 # correct SSSR count
201: ok 6042 # ring membership passed
201: ok 6043 # correct SSSR count
201: ok 6044 # ring membership passed
201: ok 6045 # correct SSSR count
201: ok 6046 # ring membership passed
201: ok 6047 # correct SSSR count
201: ok 6048 # ring membership passed
201: ok 6049 # correct SSSR count
201: ok 6050 # ring membership passed
201: ok 6051 # correct SSSR count
201: ok 6052 # ring membership passed
201: ok 6053 # correct SSSR count
201: ok 6054 # ring membership passed
201: ok 6055 # correct SSSR count
201: ok 6056 # ring membership passed
201: ok 6057 # correct SSSR count
201: ok 6058 # ring membership passed
201: ok 6059 # correct SSSR count
201: ok 6060 # ring membership passed
201: ok 6061 # correct ring bond data
201: ok 6062 # correct ring bond data
201: ok 6063 # correct ring bond data
201: ok 6064 # correct ring bond data
201: ok 6065 # correct ring bond data
201: ok 6066 # correct ring bond data
201: ok 6067 # correct ring bond data
201: ok 6068 # correct ring bond data
201: ok 6069 # correct ring bond data
201: ok 6070 # correct ring bond data
201: ok 6071 # correct ring bond data
201: ok 6072 # correct ring bond data
201: ok 6073 # correct ring bond data
201: ok 6074 # correct ring bond data
201: ok 6075 # SSSR size matches reference
201: ok 6076 # correct SSSR count
201: ok 6077 # ring membership passed
201: ok 6078 # correct SSSR count
201: ok 6079 # ring membership passed
201: ok 6080 # correct SSSR count
201: ok 6081 # ring membership passed
201: ok 6082 # correct SSSR count
201: ok 6083 # ring membership passed
201: ok 6084 # correct SSSR count
201: ok 6085 # ring membership passed
201: ok 6086 # correct SSSR count
201: ok 6087 # ring membership passed
201: ok 6088 # correct SSSR count
201: ok 6089 # ring membership passed
201: ok 6090 # correct SSSR count
201: ok 6091 # ring membership passed
201: ok 6092 # correct SSSR count
201: ok 6093 # ring membership passed
201: ok 6094 # correct SSSR count
201: ok 6095 # ring membership passed
201: ok 6096 # correct SSSR count
201: ok 6097 # ring membership passed
201: ok 6098 # correct SSSR count
201: ok 6099 # ring membership passed
201: ok 6100 # correct SSSR count
201: ok 6101 # ring membership passed
201: ok 6102 # correct SSSR count
201: ok 6103 # ring membership passed
201: ok 6104 # correct ring bond data
201: ok 6105 # correct ring bond data
201: ok 6106 # correct ring bond data
201: ok 6107 # correct ring bond data
201: ok 6108 # correct ring bond data
201: ok 6109 # correct ring bond data
201: ok 6110 # correct ring bond data
201: ok 6111 # correct ring bond data
201: ok 6112 # correct ring bond data
201: ok 6113 # correct ring bond data
201: ok 6114 # correct ring bond data
201: ok 6115 # correct ring bond data
201: ok 6116 # correct ring bond data
201: ok 6117 # correct ring bond data
201: ok 6118 # SSSR size matches reference
201: ok 6119 # correct SSSR count
201: ok 6120 # ring membership passed
201: ok 6121 # correct SSSR count
201: ok 6122 # ring membership passed
201: ok 6123 # correct SSSR count
201: ok 6124 # ring membership passed
201: ok 6125 # correct SSSR count
201: ok 6126 # ring membership passed
201: ok 6127 # correct SSSR count
201: ok 6128 # ring membership passed
201: ok 6129 # correct SSSR count
201: ok 6130 # ring membership passed
201: ok 6131 # correct SSSR count
201: ok 6132 # ring membership passed
201: ok 6133 # correct SSSR count
201: ok 6134 # ring membership passed
201: ok 6135 # correct SSSR count
201: ok 6136 # ring membership passed
201: ok 6137 # correct SSSR count
201: ok 6138 # ring membership passed
201: ok 6139 # correct SSSR count
201: ok 6140 # ring membership passed
201: ok 6141 # correct SSSR count
201: ok 6142 # ring membership passed
201: ok 6143 # correct SSSR count
201: ok 6144 # ring membership passed
201: ok 6145 # correct SSSR count
201: ok 6146 # ring membership passed
201: ok 6147 # correct ring bond data
201: ok 6148 # correct ring bond data
201: ok 6149 # correct ring bond data
201: ok 6150 # correct ring bond data
201: ok 6151 # correct ring bond data
201: ok 6152 # correct ring bond data
201: ok 6153 # correct ring bond data
201: ok 6154 # correct ring bond data
201: ok 6155 # correct ring bond data
201: ok 6156 # correct ring bond data
201: ok 6157 # correct ring bond data
201: ok 6158 # correct ring bond data
201: ok 6159 # correct ring bond data
201: ok 6160 # correct ring bond data
201: ok 6161 # SSSR size matches reference
201: ok 6162 # correct SSSR count
201: ok 6163 # ring membership passed
201: ok 6164 # correct SSSR count
201: ok 6165 # ring membership passed
201: ok 6166 # correct SSSR count
201: ok 6167 # ring membership passed
201: ok 6168 # correct SSSR count
201: ok 6169 # ring membership passed
201: ok 6170 # correct SSSR count
201: ok 6171 # ring membership passed
201: ok 6172 # correct SSSR count
201: ok 6173 # ring membership passed
201: ok 6174 # correct SSSR count
201: ok 6175 # ring membership passed
201: ok 6176 # correct SSSR count
201: ok 6177 # ring membership passed
201: ok 6178 # correct SSSR count
201: ok 6179 # ring membership passed
201: ok 6180 # correct SSSR count
201: ok 6181 # ring membership passed
201: ok 6182 # correct SSSR count
201: ok 6183 # ring membership passed
201: ok 6184 # correct SSSR count
201: ok 6185 # ring membership passed
201: ok 6186 # correct SSSR count
201: ok 6187 # ring membership passed
201: ok 6188 # correct SSSR count
201: ok 6189 # ring membership passed
201: ok 6190 # correct ring bond data
201: ok 6191 # correct ring bond data
201: ok 6192 # correct ring bond data
201: ok 6193 # correct ring bond data
201: ok 6194 # correct ring bond data
201: ok 6195 # correct ring bond data
201: ok 6196 # correct ring bond data
201: ok 6197 # correct ring bond data
201: ok 6198 # correct ring bond data
201: ok 6199 # correct ring bond data
201: ok 6200 # correct ring bond data
201: ok 6201 # correct ring bond data
201: ok 6202 # SSSR size matches reference
201: ok 6203 # correct SSSR count
201: ok 6204 # ring membership passed
201: ok 6205 # correct SSSR count
201: ok 6206 # ring membership passed
201: ok 6207 # correct SSSR count
201: ok 6208 # ring membership passed
201: ok 6209 # correct SSSR count
201: ok 6210 # ring membership passed
201: ok 6211 # correct SSSR count
201: ok 6212 # ring membership passed
201: ok 6213 # correct SSSR count
201: ok 6214 # ring membership passed
201: ok 6215 # correct SSSR count
201: ok 6216 # ring membership passed
201: ok 6217 # correct SSSR count
201: ok 6218 # ring membership passed
201: ok 6219 # correct SSSR count
201: ok 6220 # ring membership passed
201: ok 6221 # correct SSSR count
201: ok 6222 # ring membership passed
201: ok 6223 # correct SSSR count
201: ok 6224 # ring membership passed
201: ok 6225 # correct SSSR count
201: ok 6226 # ring membership passed
201: ok 6227 # correct ring bond data
201: ok 6228 # correct ring bond data
201: ok 6229 # correct ring bond data
201: ok 6230 # correct ring bond data
201: ok 6231 # correct ring bond data
201: ok 6232 # correct ring bond data
201: ok 6233 # correct ring bond data
201: ok 6234 # correct ring bond data
201: ok 6235 # correct ring bond data
201: ok 6236 # correct ring bond data
201: ok 6237 # correct ring bond data
201: ok 6238 # correct ring bond data
201: ok 6239 # correct ring bond data
201: ok 6240 # correct ring bond data
201: ok 6241 # correct ring bond data
201: ok 6242 # correct ring bond data
201: ok 6243 # correct ring bond data
201: ok 6244 # correct ring bond data
201: ok 6245 # SSSR size matches reference
201: ok 6246 # correct SSSR count
201: ok 6247 # ring membership passed
201: ok 6248 # correct SSSR count
201: ok 6249 # ring membership passed
201: ok 6250 # correct SSSR count
201: ok 6251 # ring membership passed
201: ok 6252 # correct SSSR count
201: ok 6253 # ring membership passed
201: ok 6254 # correct SSSR count
201: ok 6255 # ring membership passed
201: ok 6256 # correct SSSR count
201: ok 6257 # ring membership passed
201: ok 6258 # correct SSSR count
201: ok 6259 # ring membership passed
201: ok 6260 # correct SSSR count
201: ok 6261 # ring membership passed
201: ok 6262 # correct SSSR count
201: ok 6263 # ring membership passed
201: ok 6264 # correct SSSR count
201: ok 6265 # ring membership passed
201: ok 6266 # correct SSSR count
201: ok 6267 # ring membership passed
201: ok 6268 # correct SSSR count
201: ok 6269 # ring membership passed
201: ok 6270 # correct SSSR count
201: ok 6271 # ring membership passed
201: ok 6272 # correct SSSR count
201: ok 6273 # ring membership passed
201: ok 6274 # correct SSSR count
201: ok 6275 # ring membership passed
201: ok 6276 # correct SSSR count
201: ok 6277 # ring membership passed
201: ok 6278 # correct SSSR count
201: ok 6279 # ring membership passed
201: ok 6280 # correct ring bond data
201: ok 6281 # correct ring bond data
201: ok 6282 # correct ring bond data
201: ok 6283 # correct ring bond data
201: ok 6284 # correct ring bond data
201: ok 6285 # correct ring bond data
201: ok 6286 # correct ring bond data
201: ok 6287 # correct ring bond data
201: ok 6288 # correct ring bond data
201: ok 6289 # correct ring bond data
201: ok 6290 # correct ring bond data
201: ok 6291 # correct ring bond data
201: ok 6292 # correct ring bond data
201: ok 6293 # correct ring bond data
201: ok 6294 # correct ring bond data
201: ok 6295 # correct ring bond data
201: ok 6296 # correct ring bond data
201: ok 6297 # correct ring bond data
201: ok 6298 # correct ring bond data
201: ok 6299 # correct ring bond data
201: ok 6300 # correct ring bond data
201: ok 6301 # correct ring bond data
201: ok 6302 # correct ring bond data
201: ok 6303 # correct ring bond data
201: ok 6304 # SSSR size matches reference
201: ok 6305 # correct SSSR count
201: ok 6306 # ring membership passed
201: ok 6307 # correct SSSR count
201: ok 6308 # ring membership passed
201: ok 6309 # correct SSSR count
201: ok 6310 # ring membership passed
201: ok 6311 # correct SSSR count
201: ok 6312 # ring membership passed
201: ok 6313 # correct SSSR count
201: ok 6314 # ring membership passed
201: ok 6315 # correct SSSR count
201: ok 6316 # ring membership passed
201: ok 6317 # correct SSSR count
201: ok 6318 # ring membership passed
201: ok 6319 # correct SSSR count
201: ok 6320 # ring membership passed
201: ok 6321 # correct SSSR count
201: ok 6322 # ring membership passed
201: ok 6323 # correct SSSR count
201: ok 6324 # ring membership passed
201: ok 6325 # correct SSSR count
201: ok 6326 # ring membership passed
201: ok 6327 # correct SSSR count
201: ok 6328 # ring membership passed
201: ok 6329 # correct SSSR count
201: ok 6330 # ring membership passed
201: ok 6331 # correct SSSR count
201: ok 6332 # ring membership passed
201: ok 6333 # correct SSSR count
201: ok 6334 # ring membership passed
201: ok 6335 # correct SSSR count
201: ok 6336 # ring membership passed
201: ok 6337 # correct SSSR count
201: ok 6338 # ring membership passed
201: ok 6339 # correct SSSR count
201: ok 6340 # ring membership passed
201: ok 6341 # correct SSSR count
201: ok 6342 # ring membership passed
201: ok 6343 # correct SSSR count
201: ok 6344 # ring membership passed
201: ok 6345 # correct SSSR count
201: ok 6346 # ring membership passed
201: ok 6347 # correct SSSR count
201: ok 6348 # ring membership passed
201: ok 6349 # correct SSSR count
201: ok 6350 # ring membership passed
201: ok 6351 # correct ring bond data
201: ok 6352 # correct ring bond data
201: ok 6353 # correct ring bond data
201: ok 6354 # correct ring bond data
201: ok 6355 # correct ring bond data
201: ok 6356 # correct ring bond data
201: ok 6357 # correct ring bond data
201: ok 6358 # correct ring bond data
201: ok 6359 # correct ring bond data
201: ok 6360 # correct ring bond data
201: ok 6361 # correct ring bond data
201: ok 6362 # correct ring bond data
201: ok 6363 # correct ring bond data
201: ok 6364 # correct ring bond data
201: ok 6365 # correct ring bond data
201: ok 6366 # correct ring bond data
201: ok 6367 # correct ring bond data
201: ok 6368 # correct ring bond data
201: ok 6369 # correct ring bond data
201: ok 6370 # correct ring bond data
201: ok 6371 # correct ring bond data
201: ok 6372 # SSSR size matches reference
201: ok 6373 # correct SSSR count
201: ok 6374 # ring membership passed
201: ok 6375 # correct SSSR count
201: ok 6376 # ring membership passed
201: ok 6377 # correct SSSR count
201: ok 6378 # ring membership passed
201: ok 6379 # correct SSSR count
201: ok 6380 # ring membership passed
201: ok 6381 # correct SSSR count
201: ok 6382 # ring membership passed
201: ok 6383 # correct SSSR count
201: ok 6384 # ring membership passed
201: ok 6385 # correct SSSR count
201: ok 6386 # ring membership passed
201: ok 6387 # correct SSSR count
201: ok 6388 # ring membership passed
201: ok 6389 # correct SSSR count
201: ok 6390 # ring membership passed
201: ok 6391 # correct SSSR count
201: ok 6392 # ring membership passed
201: ok 6393 # correct SSSR count
201: ok 6394 # ring membership passed
201: ok 6395 # correct SSSR count
201: ok 6396 # ring membership passed
201: ok 6397 # correct SSSR count
201: ok 6398 # ring membership passed
201: ok 6399 # correct SSSR count
201: ok 6400 # ring membership passed
201: ok 6401 # correct SSSR count
201: ok 6402 # ring membership passed
201: ok 6403 # correct SSSR count
201: ok 6404 # ring membership passed
201: ok 6405 # correct SSSR count
201: ok 6406 # ring membership passed
201: ok 6407 # correct SSSR count
201: ok 6408 # ring membership passed
201: ok 6409 # correct SSSR count
201: ok 6410 # ring membership passed
201: ok 6411 # correct SSSR count
201: ok 6412 # ring membership passed
201: ok 6413 # correct ring bond data
201: ok 6414 # correct ring bond data
201: ok 6415 # correct ring bond data
201: ok 6416 # correct ring bond data
201: ok 6417 # correct ring bond data
201: ok 6418 # correct ring bond data
201: ok 6419 # correct ring bond data
201: ok 6420 # correct ring bond data
201: ok 6421 # correct ring bond data
201: ok 6422 # correct ring bond data
201: ok 6423 # correct ring bond data
201: ok 6424 # correct ring bond data
201: ok 6425 # correct ring bond data
201: ok 6426 # correct ring bond data
201: ok 6427 # correct ring bond data
201: ok 6428 # correct ring bond data
201: ok 6429 # correct ring bond data
201: ok 6430 # correct ring bond data
201: ok 6431 # correct ring bond data
201: ok 6432 # correct ring bond data
201: ok 6433 # correct ring bond data
201: ok 6434 # correct ring bond data
201: ok 6435 # correct ring bond data
201: ok 6436 # correct ring bond data
201: ok 6437 # correct ring bond data
201: ok 6438 # correct ring bond data
201: ok 6439 # correct ring bond data
201: ok 6440 # SSSR size matches reference
201: ok 6441 # correct SSSR count
201: ok 6442 # ring membership passed
201: ok 6443 # correct SSSR count
201: ok 6444 # ring membership passed
201: ok 6445 # correct SSSR count
201: ok 6446 # ring membership passed
201: ok 6447 # correct SSSR count
201: ok 6448 # ring membership passed
201: ok 6449 # correct SSSR count
201: ok 6450 # ring membership passed
201: ok 6451 # correct SSSR count
201: ok 6452 # ring membership passed
201: ok 6453 # correct SSSR count
201: ok 6454 # ring membership passed
201: ok 6455 # correct SSSR count
201: ok 6456 # ring membership passed
201: ok 6457 # correct SSSR count
201: ok 6458 # ring membership passed
201: ok 6459 # correct SSSR count
201: ok 6460 # ring membership passed
201: ok 6461 # correct SSSR count
201: ok 6462 # ring membership passed
201: ok 6463 # correct SSSR count
201: ok 6464 # ring membership passed
201: ok 6465 # correct SSSR count
201: ok 6466 # ring membership passed
201: ok 6467 # correct SSSR count
201: ok 6468 # ring membership passed
201: ok 6469 # correct SSSR count
201: ok 6470 # ring membership passed
201: ok 6471 # correct SSSR count
201: ok 6472 # ring membership passed
201: ok 6473 # correct SSSR count
201: ok 6474 # ring membership passed
201: ok 6475 # correct SSSR count
201: ok 6476 # ring membership passed
201: ok 6477 # correct SSSR count
201: ok 6478 # ring membership passed
201: ok 6479 # correct SSSR count
201: ok 6480 # ring membership passed
201: ok 6481 # correct SSSR count
201: ok 6482 # ring membership passed
201: ok 6483 # correct SSSR count
201: ok 6484 # ring membership passed
201: ok 6485 # correct SSSR count
201: ok 6486 # ring membership passed
201: ok 6487 # correct SSSR count
201: ok 6488 # ring membership passed
201: ok 6489 # correct SSSR count
201: ok 6490 # ring membership passed
201: ok 6491 # correct ring bond data
201: ok 6492 # correct ring bond data
201: ok 6493 # correct ring bond data
201: ok 6494 # correct ring bond data
201: ok 6495 # correct ring bond data
201: ok 6496 # correct ring bond data
201: ok 6497 # correct ring bond data
201: ok 6498 # correct ring bond data
201: ok 6499 # correct ring bond data
201: ok 6500 # correct ring bond data
201: ok 6501 # correct ring bond data
201: ok 6502 # correct ring bond data
201: ok 6503 # correct ring bond data
201: ok 6504 # correct ring bond data
201: ok 6505 # correct ring bond data
201: ok 6506 # SSSR size matches reference
201: ok 6507 # correct SSSR count
201: ok 6508 # ring membership passed
201: ok 6509 # correct SSSR count
201: ok 6510 # ring membership passed
201: ok 6511 # correct SSSR count
201: ok 6512 # ring membership passed
201: ok 6513 # correct SSSR count
201: ok 6514 # ring membership passed
201: ok 6515 # correct SSSR count
201: ok 6516 # ring membership passed
201: ok 6517 # correct SSSR count
201: ok 6518 # ring membership passed
201: ok 6519 # correct SSSR count
201: ok 6520 # ring membership passed
201: ok 6521 # correct SSSR count
201: ok 6522 # ring membership passed
201: ok 6523 # correct SSSR count
201: ok 6524 # ring membership passed
201: ok 6525 # correct SSSR count
201: ok 6526 # ring membership passed
201: ok 6527 # correct SSSR count
201: ok 6528 # ring membership passed
201: ok 6529 # correct SSSR count
201: ok 6530 # ring membership passed
201: ok 6531 # correct SSSR count
201: ok 6532 # ring membership passed
201: ok 6533 # correct SSSR count
201: ok 6534 # ring membership passed
201: ok 6535 # correct SSSR count
201: ok 6536 # ring membership passed
201: ok 6537 # correct ring bond data
201: ok 6538 # correct ring bond data
201: ok 6539 # correct ring bond data
201: ok 6540 # correct ring bond data
201: ok 6541 # correct ring bond data
201: ok 6542 # correct ring bond data
201: ok 6543 # correct ring bond data
201: ok 6544 # correct ring bond data
201: ok 6545 # correct ring bond data
201: ok 6546 # correct ring bond data
201: ok 6547 # correct ring bond data
201: ok 6548 # correct ring bond data
201: ok 6549 # correct ring bond data
201: ok 6550 # correct ring bond data
201: ok 6551 # correct ring bond data
201: ok 6552 # correct ring bond data
201: ok 6553 # correct ring bond data
201: ok 6554 # correct ring bond data
201: ok 6555 # correct ring bond data
201: ok 6556 # correct ring bond data
201: ok 6557 # SSSR size matches reference
201: ok 6558 # correct SSSR count
201: ok 6559 # ring membership passed
201: ok 6560 # correct SSSR count
201: ok 6561 # ring membership passed
201: ok 6562 # correct SSSR count
201: ok 6563 # ring membership passed
201: ok 6564 # correct SSSR count
201: ok 6565 # ring membership passed
201: ok 6566 # correct SSSR count
201: ok 6567 # ring membership passed
201: ok 6568 # correct SSSR count
201: ok 6569 # ring membership passed
201: ok 6570 # correct SSSR count
201: ok 6571 # ring membership passed
201: ok 6572 # correct SSSR count
201: ok 6573 # ring membership passed
201: ok 6574 # correct SSSR count
201: ok 6575 # ring membership passed
201: ok 6576 # correct SSSR count
201: ok 6577 # ring membership passed
201: ok 6578 # correct SSSR count
201: ok 6579 # ring membership passed
201: ok 6580 # correct SSSR count
201: ok 6581 # ring membership passed
201: ok 6582 # correct SSSR count
201: ok 6583 # ring membership passed
201: ok 6584 # correct SSSR count
201: ok 6585 # ring membership passed
201: ok 6586 # correct SSSR count
201: ok 6587 # ring membership passed
201: ok 6588 # correct SSSR count
201: ok 6589 # ring membership passed
201: ok 6590 # correct SSSR count
201: ok 6591 # ring membership passed
201: ok 6592 # correct SSSR count
201: ok 6593 # ring membership passed
201: ok 6594 # correct SSSR count
201: ok 6595 # ring membership passed
201: ok 6596 # correct ring bond data
201: ok 6597 # correct ring bond data
201: ok 6598 # correct ring bond data
201: ok 6599 # correct ring bond data
201: ok 6600 # correct ring bond data
201: ok 6601 # correct ring bond data
201: ok 6602 # correct ring bond data
201: ok 6603 # correct ring bond data
201: ok 6604 # correct ring bond data
201: ok 6605 # correct ring bond data
201: ok 6606 # correct ring bond data
201: ok 6607 # correct ring bond data
201: ok 6608 # correct ring bond data
201: ok 6609 # correct ring bond data
201: ok 6610 # SSSR size matches reference
201: ok 6611 # correct SSSR count
201: ok 6612 # ring membership passed
201: ok 6613 # correct SSSR count
201: ok 6614 # ring membership passed
201: ok 6615 # correct SSSR count
201: ok 6616 # ring membership passed
201: ok 6617 # correct SSSR count
201: ok 6618 # ring membership passed
201: ok 6619 # correct SSSR count
201: ok 6620 # ring membership passed
201: ok 6621 # correct SSSR count
201: ok 6622 # ring membership passed
201: ok 6623 # correct SSSR count
201: ok 6624 # ring membership passed
201: ok 6625 # correct SSSR count
201: ok 6626 # ring membership passed
201: ok 6627 # correct SSSR count
201: ok 6628 # ring membership passed
201: ok 6629 # correct SSSR count
201: ok 6630 # ring membership passed
201: ok 6631 # correct SSSR count
201: ok 6632 # ring membership passed
201: ok 6633 # correct SSSR count
201: ok 6634 # ring membership passed
201: ok 6635 # correct SSSR count
201: ok 6636 # ring membership passed
201: ok 6637 # correct SSSR count
201: ok 6638 # ring membership passed
201: ok 6639 # correct ring bond data
201: ok 6640 # correct ring bond data
201: ok 6641 # correct ring bond data
201: ok 6642 # correct ring bond data
201: ok 6643 # correct ring bond data
201: ok 6644 # correct ring bond data
201: ok 6645 # correct ring bond data
201: ok 6646 # correct ring bond data
201: ok 6647 # correct ring bond data
201: ok 6648 # correct ring bond data
201: ok 6649 # correct ring bond data
201: ok 6650 # correct ring bond data
201: ok 6651 # correct ring bond data
201: ok 6652 # correct ring bond data
201: ok 6653 # SSSR size matches reference
201: ok 6654 # correct SSSR count
201: ok 6655 # ring membership passed
201: ok 6656 # correct SSSR count
201: ok 6657 # ring membership passed
201: ok 6658 # correct SSSR count
201: ok 6659 # ring membership passed
201: ok 6660 # correct SSSR count
201: ok 6661 # ring membership passed
201: ok 6662 # correct SSSR count
201: ok 6663 # ring membership passed
201: ok 6664 # correct SSSR count
201: ok 6665 # ring membership passed
201: ok 6666 # correct SSSR count
201: ok 6667 # ring membership passed
201: ok 6668 # correct SSSR count
201: ok 6669 # ring membership passed
201: ok 6670 # correct SSSR count
201: ok 6671 # ring membership passed
201: ok 6672 # correct SSSR count
201: ok 6673 # ring membership passed
201: ok 6674 # correct SSSR count
201: ok 6675 # ring membership passed
201: ok 6676 # correct SSSR count
201: ok 6677 # ring membership passed
201: ok 6678 # correct SSSR count
201: ok 6679 # ring membership passed
201: ok 6680 # correct SSSR count
201: ok 6681 # ring membership passed
201: ok 6682 # correct ring bond data
201: ok 6683 # correct ring bond data
201: ok 6684 # correct ring bond data
201: ok 6685 # correct ring bond data
201: ok 6686 # correct ring bond data
201: ok 6687 # correct ring bond data
201: ok 6688 # correct ring bond data
201: ok 6689 # correct ring bond data
201: ok 6690 # correct ring bond data
201: ok 6691 # correct ring bond data
201: ok 6692 # correct ring bond data
201: ok 6693 # correct ring bond data
201: ok 6694 # correct ring bond data
201: ok 6695 # correct ring bond data
201: ok 6696 # correct ring bond data
201: ok 6697 # correct ring bond data
201: ok 6698 # correct ring bond data
201: ok 6699 # SSSR size matches reference
201: ok 6700 # correct SSSR count
201: ok 6701 # ring membership passed
201: ok 6702 # correct SSSR count
201: ok 6703 # ring membership passed
201: ok 6704 # correct SSSR count
201: ok 6705 # ring membership passed
201: ok 6706 # correct SSSR count
201: ok 6707 # ring membership passed
201: ok 6708 # correct SSSR count
201: ok 6709 # ring membership passed
201: ok 6710 # correct SSSR count
201: ok 6711 # ring membership passed
201: ok 6712 # correct SSSR count
201: ok 6713 # ring membership passed
201: ok 6714 # correct SSSR count
201: ok 6715 # ring membership passed
201: ok 6716 # correct SSSR count
201: ok 6717 # ring membership passed
201: ok 6718 # correct SSSR count
201: ok 6719 # ring membership passed
201: ok 6720 # correct SSSR count
201: ok 6721 # ring membership passed
201: ok 6722 # correct SSSR count
201: ok 6723 # ring membership passed
201: ok 6724 # correct SSSR count
201: ok 6725 # ring membership passed
201: ok 6726 # correct SSSR count
201: ok 6727 # ring membership passed
201: ok 6728 # correct SSSR count
201: ok 6729 # ring membership passed
201: ok 6730 # correct SSSR count
201: ok 6731 # ring membership passed
201: ok 6732 # correct SSSR count
201: ok 6733 # ring membership passed
201: ok 6734 # correct ring bond data
201: ok 6735 # correct ring bond data
201: ok 6736 # correct ring bond data
201: ok 6737 # correct ring bond data
201: ok 6738 # correct ring bond data
201: ok 6739 # correct ring bond data
201: ok 6740 # correct ring bond data
201: ok 6741 # correct ring bond data
201: ok 6742 # correct ring bond data
201: ok 6743 # correct ring bond data
201: ok 6744 # correct ring bond data
201: ok 6745 # correct ring bond data
201: ok 6746 # correct ring bond data
201: ok 6747 # correct ring bond data
201: ok 6748 # correct ring bond data
201: ok 6749 # correct ring bond data
201: ok 6750 # correct ring bond data
201: ok 6751 # correct ring bond data
201: ok 6752 # correct ring bond data
201: ok 6753 # correct ring bond data
201: ok 6754 # correct ring bond data
201: ok 6755 # correct ring bond data
201: ok 6756 # correct ring bond data
201: ok 6757 # correct ring bond data
201: ok 6758 # correct ring bond data
201: ok 6759 # correct ring bond data
201: ok 6760 # correct ring bond data
201: ok 6761 # correct ring bond data
201: ok 6762 # SSSR size matches reference
201: ok 6763 # correct SSSR count
201: ok 6764 # ring membership passed
201: ok 6765 # correct SSSR count
201: ok 6766 # ring membership passed
201: ok 6767 # correct SSSR count
201: ok 6768 # ring membership passed
201: ok 6769 # correct SSSR count
201: ok 6770 # ring membership passed
201: ok 6771 # correct SSSR count
201: ok 6772 # ring membership passed
201: ok 6773 # correct SSSR count
201: ok 6774 # ring membership passed
201: ok 6775 # correct SSSR count
201: ok 6776 # ring membership passed
201: ok 6777 # correct SSSR count
201: ok 6778 # ring membership passed
201: ok 6779 # correct SSSR count
201: ok 6780 # ring membership passed
201: ok 6781 # correct SSSR count
201: ok 6782 # ring membership passed
201: ok 6783 # correct SSSR count
201: ok 6784 # ring membership passed
201: ok 6785 # correct SSSR count
201: ok 6786 # ring membership passed
201: ok 6787 # correct SSSR count
201: ok 6788 # ring membership passed
201: ok 6789 # correct SSSR count
201: ok 6790 # ring membership passed
201: ok 6791 # correct SSSR count
201: ok 6792 # ring membership passed
201: ok 6793 # correct SSSR count
201: ok 6794 # ring membership passed
201: ok 6795 # correct SSSR count
201: ok 6796 # ring membership passed
201: ok 6797 # correct SSSR count
201: ok 6798 # ring membership passed
201: ok 6799 # correct SSSR count
201: ok 6800 # ring membership passed
201: ok 6801 # correct SSSR count
201: ok 6802 # ring membership passed
201: ok 6803 # correct SSSR count
201: ok 6804 # ring membership passed
201: ok 6805 # correct SSSR count
201: ok 6806 # ring membership passed
201: ok 6807 # correct SSSR count
201: ok 6808 # ring membership passed
201: ok 6809 # correct SSSR count
201: ok 6810 # ring membership passed
201: ok 6811 # correct SSSR count
201: ok 6812 # ring membership passed
201: ok 6813 # correct SSSR count
201: ok 6814 # ring membership passed
201: ok 6815 # correct ring bond data
201: ok 6816 # correct ring bond data
201: ok 6817 # correct ring bond data
201: ok 6818 # correct ring bond data
201: ok 6819 # correct ring bond data
201: ok 6820 # correct ring bond data
201: ok 6821 # correct ring bond data
201: ok 6822 # correct ring bond data
201: ok 6823 # correct ring bond data
201: ok 6824 # correct ring bond data
201: ok 6825 # correct ring bond data
201: ok 6826 # correct ring bond data
201: ok 6827 # correct ring bond data
201: ok 6828 # correct ring bond data
201: ok 6829 # correct ring bond data
201: ok 6830 # correct ring bond data
201: ok 6831 # correct ring bond data
201: ok 6832 # correct ring bond data
201: ok 6833 # correct ring bond data
201: ok 6834 # correct ring bond data
201: ok 6835 # correct ring bond data
201: ok 6836 # correct ring bond data
201: ok 6837 # correct ring bond data
201: ok 6838 # correct ring bond data
201: ok 6839 # correct ring bond data
201: ok 6840 # correct ring bond data
201: ok 6841 # SSSR size matches reference
201: ok 6842 # correct SSSR count
201: ok 6843 # ring membership passed
201: ok 6844 # correct SSSR count
201: ok 6845 # ring membership passed
201: ok 6846 # correct SSSR count
201: ok 6847 # ring membership passed
201: ok 6848 # correct SSSR count
201: ok 6849 # ring membership passed
201: ok 6850 # correct SSSR count
201: ok 6851 # ring membership passed
201: ok 6852 # correct SSSR count
201: ok 6853 # ring membership passed
201: ok 6854 # correct SSSR count
201: ok 6855 # ring membership passed
201: ok 6856 # correct SSSR count
201: ok 6857 # ring membership passed
201: ok 6858 # correct SSSR count
201: ok 6859 # ring membership passed
201: ok 6860 # correct SSSR count
201: ok 6861 # ring membership passed
201: ok 6862 # correct SSSR count
201: ok 6863 # ring membership passed
201: ok 6864 # correct SSSR count
201: ok 6865 # ring membership passed
201: ok 6866 # correct SSSR count
201: ok 6867 # ring membership passed
201: ok 6868 # correct SSSR count
201: ok 6869 # ring membership passed
201: ok 6870 # correct SSSR count
201: ok 6871 # ring membership passed
201: ok 6872 # correct SSSR count
201: ok 6873 # ring membership passed
201: ok 6874 # correct SSSR count
201: ok 6875 # ring membership passed
201: ok 6876 # correct SSSR count
201: ok 6877 # ring membership passed
201: ok 6878 # correct SSSR count
201: ok 6879 # ring membership passed
201: ok 6880 # correct SSSR count
201: ok 6881 # ring membership passed
201: ok 6882 # correct SSSR count
201: ok 6883 # ring membership passed
201: ok 6884 # correct SSSR count
201: ok 6885 # ring membership passed
201: ok 6886 # correct SSSR count
201: ok 6887 # ring membership passed
201: ok 6888 # correct SSSR count
201: ok 6889 # ring membership passed
201: ok 6890 # correct ring bond data
201: ok 6891 # correct ring bond data
201: ok 6892 # correct ring bond data
201: ok 6893 # correct ring bond data
201: ok 6894 # correct ring bond data
201: ok 6895 # correct ring bond data
201: ok 6896 # correct ring bond data
201: ok 6897 # correct ring bond data
201: ok 6898 # correct ring bond data
201: ok 6899 # correct ring bond data
201: ok 6900 # correct ring bond data
201: ok 6901 # correct ring bond data
201: ok 6902 # correct ring bond data
201: ok 6903 # correct ring bond data
201: ok 6904 # SSSR size matches reference
201: ok 6905 # correct SSSR count
201: ok 6906 # ring membership passed
201: ok 6907 # correct SSSR count
201: ok 6908 # ring membership passed
201: ok 6909 # correct SSSR count
201: ok 6910 # ring membership passed
201: ok 6911 # correct SSSR count
201: ok 6912 # ring membership passed
201: ok 6913 # correct SSSR count
201: ok 6914 # ring membership passed
201: ok 6915 # correct SSSR count
201: ok 6916 # ring membership passed
201: ok 6917 # correct SSSR count
201: ok 6918 # ring membership passed
201: ok 6919 # correct SSSR count
201: ok 6920 # ring membership passed
201: ok 6921 # correct SSSR count
201: ok 6922 # ring membership passed
201: ok 6923 # correct SSSR count
201: ok 6924 # ring membership passed
201: ok 6925 # correct SSSR count
201: ok 6926 # ring membership passed
201: ok 6927 # correct SSSR count
201: ok 6928 # ring membership passed
201: ok 6929 # correct SSSR count
201: ok 6930 # ring membership passed
201: ok 6931 # correct SSSR count
201: ok 6932 # ring membership passed
201: ok 6933 # correct ring bond data
201: ok 6934 # correct ring bond data
201: ok 6935 # correct ring bond data
201: ok 6936 # correct ring bond data
201: ok 6937 # correct ring bond data
201: ok 6938 # correct ring bond data
201: ok 6939 # correct ring bond data
201: ok 6940 # correct ring bond data
201: ok 6941 # correct ring bond data
201: ok 6942 # correct ring bond data
201: ok 6943 # correct ring bond data
201: ok 6944 # correct ring bond data
201: ok 6945 # correct ring bond data
201: ok 6946 # correct ring bond data
201: ok 6947 # correct ring bond data
201: ok 6948 # correct ring bond data
201: ok 6949 # correct ring bond data
201: ok 6950 # correct ring bond data
201: ok 6951 # SSSR size matches reference
201: ok 6952 # correct SSSR count
201: ok 6953 # ring membership passed
201: ok 6954 # correct SSSR count
201: ok 6955 # ring membership passed
201: ok 6956 # correct SSSR count
201: ok 6957 # ring membership passed
201: ok 6958 # correct SSSR count
201: ok 6959 # ring membership passed
201: ok 6960 # correct SSSR count
201: ok 6961 # ring membership passed
201: ok 6962 # correct SSSR count
201: ok 6963 # ring membership passed
201: ok 6964 # correct SSSR count
201: ok 6965 # ring membership passed
201: ok 6966 # correct SSSR count
201: ok 6967 # ring membership passed
201: ok 6968 # correct SSSR count
201: ok 6969 # ring membership passed
201: ok 6970 # correct SSSR count
201: ok 6971 # ring membership passed
201: ok 6972 # correct SSSR count
201: ok 6973 # ring membership passed
201: ok 6974 # correct SSSR count
201: ok 6975 # ring membership passed
201: ok 6976 # correct SSSR count
201: ok 6977 # ring membership passed
201: ok 6978 # correct SSSR count
201: ok 6979 # ring membership passed
201: ok 6980 # correct SSSR count
201: ok 6981 # ring membership passed
201: ok 6982 # correct SSSR count
201: ok 6983 # ring membership passed
201: ok 6984 # correct SSSR count
201: ok 6985 # ring membership passed
201: ok 6986 # correct SSSR count
201: ok 6987 # ring membership passed
201: ok 6988 # correct ring bond data
201: ok 6989 # correct ring bond data
201: ok 6990 # correct ring bond data
201: ok 6991 # correct ring bond data
201: ok 6992 # correct ring bond data
201: ok 6993 # correct ring bond data
201: ok 6994 # correct ring bond data
201: ok 6995 # correct ring bond data
201: ok 6996 # correct ring bond data
201: ok 6997 # correct ring bond data
201: ok 6998 # correct ring bond data
201: ok 6999 # correct ring bond data
201: ok 7000 # correct ring bond data
201: ok 7001 # correct ring bond data
201: ok 7002 # correct ring bond data
201: ok 7003 # correct ring bond data
201: ok 7004 # correct ring bond data
201: ok 7005 # correct ring bond data
201: ok 7006 # correct ring bond data
201: ok 7007 # correct ring bond data
201: ok 7008 # correct ring bond data
201: ok 7009 # SSSR size matches reference
201: ok 7010 # correct SSSR count
201: ok 7011 # ring membership passed
201: ok 7012 # correct SSSR count
201: ok 7013 # ring membership passed
201: ok 7014 # correct SSSR count
201: ok 7015 # ring membership passed
201: ok 7016 # correct SSSR count
201: ok 7017 # ring membership passed
201: ok 7018 # correct SSSR count
201: ok 7019 # ring membership passed
201: ok 7020 # correct SSSR count
201: ok 7021 # ring membership passed
201: ok 7022 # correct SSSR count
201: ok 7023 # ring membership passed
201: ok 7024 # correct SSSR count
201: ok 7025 # ring membership passed
201: ok 7026 # correct SSSR count
201: ok 7027 # ring membership passed
201: ok 7028 # correct SSSR count
201: ok 7029 # ring membership passed
201: ok 7030 # correct SSSR count
201: ok 7031 # ring membership passed
201: ok 7032 # correct SSSR count
201: ok 7033 # ring membership passed
201: ok 7034 # correct SSSR count
201: ok 7035 # ring membership passed
201: ok 7036 # correct SSSR count
201: ok 7037 # ring membership passed
201: ok 7038 # correct SSSR count
201: ok 7039 # ring membership passed
201: ok 7040 # correct SSSR count
201: ok 7041 # ring membership passed
201: ok 7042 # correct SSSR count
201: ok 7043 # ring membership passed
201: ok 7044 # correct SSSR count
201: ok 7045 # ring membership passed
201: ok 7046 # correct SSSR count
201: ok 7047 # ring membership passed
201: ok 7048 # correct SSSR count
201: ok 7049 # ring membership passed
201: ok 7050 # correct ring bond data
201: ok 7051 # correct ring bond data
201: ok 7052 # correct ring bond data
201: ok 7053 # correct ring bond data
201: ok 7054 # correct ring bond data
201: ok 7055 # correct ring bond data
201: ok 7056 # correct ring bond data
201: ok 7057 # correct ring bond data
201: ok 7058 # correct ring bond data
201: ok 7059 # correct ring bond data
201: ok 7060 # correct ring bond data
201: ok 7061 # correct ring bond data
201: ok 7062 # correct ring bond data
201: ok 7063 # correct ring bond data
201: ok 7064 # correct ring bond data
201: ok 7065 # correct ring bond data
201: ok 7066 # correct ring bond data
201: ok 7067 # correct ring bond data
201: ok 7068 # correct ring bond data
201: ok 7069 # correct ring bond data
201: ok 7070 # correct ring bond data
201: ok 7071 # correct ring bond data
201: ok 7072 # correct ring bond data
201: ok 7073 # SSSR size matches reference
201: ok 7074 # correct SSSR count
201: ok 7075 # ring membership passed
201: ok 7076 # correct SSSR count
201: ok 7077 # ring membership passed
201: ok 7078 # correct SSSR count
201: ok 7079 # ring membership passed
201: ok 7080 # correct SSSR count
201: ok 7081 # ring membership passed
201: ok 7082 # correct SSSR count
201: ok 7083 # ring membership passed
201: ok 7084 # correct SSSR count
201: ok 7085 # ring membership passed
201: ok 7086 # correct SSSR count
201: ok 7087 # ring membership passed
201: ok 7088 # correct SSSR count
201: ok 7089 # ring membership passed
201: ok 7090 # correct SSSR count
201: ok 7091 # ring membership passed
201: ok 7092 # correct SSSR count
201: ok 7093 # ring membership passed
201: ok 7094 # correct SSSR count
201: ok 7095 # ring membership passed
201: ok 7096 # correct SSSR count
201: ok 7097 # ring membership passed
201: ok 7098 # correct SSSR count
201: ok 7099 # ring membership passed
201: ok 7100 # correct SSSR count
201: ok 7101 # ring membership passed
201: ok 7102 # correct SSSR count
201: ok 7103 # ring membership passed
201: ok 7104 # correct SSSR count
201: ok 7105 # ring membership passed
201: ok 7106 # correct SSSR count
201: ok 7107 # ring membership passed
201: ok 7108 # correct SSSR count
201: ok 7109 # ring membership passed
201: ok 7110 # correct SSSR count
201: ok 7111 # ring membership passed
201: ok 7112 # correct SSSR count
201: ok 7113 # ring membership passed
201: ok 7114 # correct ring bond data
201: ok 7115 # correct ring bond data
201: ok 7116 # correct ring bond data
201: ok 7117 # correct ring bond data
201: ok 7118 # correct ring bond data
201: ok 7119 # correct ring bond data
201: ok 7120 # correct ring bond data
201: ok 7121 # correct ring bond data
201: ok 7122 # correct ring bond data
201: ok 7123 # correct ring bond data
201: ok 7124 # correct ring bond data
201: ok 7125 # SSSR size matches reference
201: ok 7126 # correct SSSR count
201: ok 7127 # ring membership passed
201: ok 7128 # correct SSSR count
201: ok 7129 # ring membership passed
201: ok 7130 # correct SSSR count
201: ok 7131 # ring membership passed
201: ok 7132 # correct SSSR count
201: ok 7133 # ring membership passed
201: ok 7134 # correct SSSR count
201: ok 7135 # ring membership passed
201: ok 7136 # correct SSSR count
201: ok 7137 # ring membership passed
201: ok 7138 # correct SSSR count
201: ok 7139 # ring membership passed
201: ok 7140 # correct SSSR count
201: ok 7141 # ring membership passed
201: ok 7142 # correct SSSR count
201: ok 7143 # ring membership passed
201: ok 7144 # correct SSSR count
201: ok 7145 # ring membership passed
201: ok 7146 # correct SSSR count
201: ok 7147 # ring membership passed
201: ok 7148 # correct SSSR count
201: ok 7149 # ring membership passed
201: ok 7150 # correct ring bond data
201: ok 7151 # correct ring bond data
201: ok 7152 # correct ring bond data
201: ok 7153 # correct ring bond data
201: ok 7154 # correct ring bond data
201: ok 7155 # correct ring bond data
201: ok 7156 # correct ring bond data
201: ok 7157 # correct ring bond data
201: ok 7158 # correct ring bond data
201: ok 7159 # correct ring bond data
201: ok 7160 # correct ring bond data
201: ok 7161 # correct ring bond data
201: ok 7162 # correct ring bond data
201: ok 7163 # correct ring bond data
201: ok 7164 # correct ring bond data
201: ok 7165 # correct ring bond data
201: ok 7166 # correct ring bond data
201: ok 7167 # correct ring bond data
201: ok 7168 # correct ring bond data
201: ok 7169 # correct ring bond data
201: ok 7170 # correct ring bond data
201: ok 7171 # correct ring bond data
201: ok 7172 # correct ring bond data
201: ok 7173 # correct ring bond data
201: ok 7174 # correct ring bond data
201: ok 7175 # correct ring bond data
201: ok 7176 # correct ring bond data
201: ok 7177 # correct ring bond data
201: ok 7178 # correct ring bond data
201: ok 7179 # correct ring bond data
201: ok 7180 # SSSR size matches reference
201: ok 7181 # correct SSSR count
201: ok 7182 # ring membership passed
201: ok 7183 # correct SSSR count
201: ok 7184 # ring membership passed
201: ok 7185 # correct SSSR count
201: ok 7186 # ring membership passed
201: ok 7187 # correct SSSR count
201: ok 7188 # ring membership passed
201: ok 7189 # correct SSSR count
201: ok 7190 # ring membership passed
201: ok 7191 # correct SSSR count
201: ok 7192 # ring membership passed
201: ok 7193 # correct SSSR count
201: ok 7194 # ring membership passed
201: ok 7195 # correct SSSR count
201: ok 7196 # ring membership passed
201: ok 7197 # correct SSSR count
201: ok 7198 # ring membership passed
201: ok 7199 # correct SSSR count
201: ok 7200 # ring membership passed
201: ok 7201 # correct SSSR count
201: ok 7202 # ring membership passed
201: ok 7203 # correct SSSR count
201: ok 7204 # ring membership passed
201: ok 7205 # correct SSSR count
201: ok 7206 # ring membership passed
201: ok 7207 # correct SSSR count
201: ok 7208 # ring membership passed
201: ok 7209 # correct SSSR count
201: ok 7210 # ring membership passed
201: ok 7211 # correct SSSR count
201: ok 7212 # ring membership passed
201: ok 7213 # correct SSSR count
201: ok 7214 # ring membership passed
201: ok 7215 # correct SSSR count
201: ok 7216 # ring membership passed
201: ok 7217 # correct SSSR count
201: ok 7218 # ring membership passed
201: ok 7219 # correct SSSR count
201: ok 7220 # ring membership passed
201: ok 7221 # correct SSSR count
201: ok 7222 # ring membership passed
201: ok 7223 # correct SSSR count
201: ok 7224 # ring membership passed
201: ok 7225 # correct SSSR count
201: ok 7226 # ring membership passed
201: ok 7227 # correct SSSR count
201: ok 7228 # ring membership passed
201: ok 7229 # correct SSSR count
201: ok 7230 # ring membership passed
201: ok 7231 # correct SSSR count
201: ok 7232 # ring membership passed
201: ok 7233 # correct ring bond data
201: ok 7234 # correct ring bond data
201: ok 7235 # correct ring bond data
201: ok 7236 # correct ring bond data
201: ok 7237 # correct ring bond data
201: ok 7238 # correct ring bond data
201: ok 7239 # correct ring bond data
201: ok 7240 # correct ring bond data
201: ok 7241 # correct ring bond data
201: ok 7242 # correct ring bond data
201: ok 7243 # correct ring bond data
201: ok 7244 # correct ring bond data
201: ok 7245 # SSSR size matches reference
201: ok 7246 # correct SSSR count
201: ok 7247 # ring membership passed
201: ok 7248 # correct SSSR count
201: ok 7249 # ring membership passed
201: ok 7250 # correct SSSR count
201: ok 7251 # ring membership passed
201: ok 7252 # correct SSSR count
201: ok 7253 # ring membership passed
201: ok 7254 # correct SSSR count
201: ok 7255 # ring membership passed
201: ok 7256 # correct SSSR count
201: ok 7257 # ring membership passed
201: ok 7258 # correct SSSR count
201: ok 7259 # ring membership passed
201: ok 7260 # correct SSSR count
201: ok 7261 # ring membership passed
201: ok 7262 # correct SSSR count
201: ok 7263 # ring membership passed
201: ok 7264 # correct SSSR count
201: ok 7265 # ring membership passed
201: ok 7266 # correct SSSR count
201: ok 7267 # ring membership passed
201: ok 7268 # correct ring bond data
201: ok 7269 # correct ring bond data
201: ok 7270 # correct ring bond data
201: ok 7271 # correct ring bond data
201: ok 7272 # correct ring bond data
201: ok 7273 # correct ring bond data
201: ok 7274 # correct ring bond data
201: ok 7275 # correct ring bond data
201: ok 7276 # correct ring bond data
201: ok 7277 # correct ring bond data
201: ok 7278 # correct ring bond data
201: ok 7279 # correct ring bond data
201: ok 7280 # correct ring bond data
201: ok 7281 # correct ring bond data
201: ok 7282 # correct ring bond data
201: ok 7283 # correct ring bond data
201: ok 7284 # correct ring bond data
201: ok 7285 # correct ring bond data
201: ok 7286 # correct ring bond data
201: ok 7287 # correct ring bond data
201: ok 7288 # correct ring bond data
201: ok 7289 # correct ring bond data
201: ok 7290 # correct ring bond data
201: ok 7291 # SSSR size matches reference
201: ok 7292 # correct SSSR count
201: ok 7293 # ring membership passed
201: ok 7294 # correct SSSR count
201: ok 7295 # ring membership passed
201: ok 7296 # correct SSSR count
201: ok 7297 # ring membership passed
201: ok 7298 # correct SSSR count
201: ok 7299 # ring membership passed
201: ok 7300 # correct SSSR count
201: ok 7301 # ring membership passed
201: ok 7302 # correct SSSR count
201: ok 7303 # ring membership passed
201: ok 7304 # correct SSSR count
201: ok 7305 # ring membership passed
201: ok 7306 # correct SSSR count
201: ok 7307 # ring membership passed
201: ok 7308 # correct SSSR count
201: ok 7309 # ring membership passed
201: ok 7310 # correct SSSR count
201: ok 7311 # ring membership passed
201: ok 7312 # correct SSSR count
201: ok 7313 # ring membership passed
201: ok 7314 # correct SSSR count
201: ok 7315 # ring membership passed
201: ok 7316 # correct SSSR count
201: ok 7317 # ring membership passed
201: ok 7318 # correct SSSR count
201: ok 7319 # ring membership passed
201: ok 7320 # correct SSSR count
201: ok 7321 # ring membership passed
201: ok 7322 # correct SSSR count
201: ok 7323 # ring membership passed
201: ok 7324 # correct SSSR count
201: ok 7325 # ring membership passed
201: ok 7326 # correct SSSR count
201: ok 7327 # ring membership passed
201: ok 7328 # correct SSSR count
201: ok 7329 # ring membership passed
201: ok 7330 # correct SSSR count
201: ok 7331 # ring membership passed
201: ok 7332 # correct ring bond data
201: ok 7333 # correct ring bond data
201: ok 7334 # correct ring bond data
201: ok 7335 # correct ring bond data
201: ok 7336 # correct ring bond data
201: ok 7337 # correct ring bond data
201: ok 7338 # correct ring bond data
201: ok 7339 # correct ring bond data
201: ok 7340 # correct ring bond data
201: ok 7341 # correct ring bond data
201: ok 7342 # correct ring bond data
201: ok 7343 # correct ring bond data
201: ok 7344 # correct ring bond data
201: ok 7345 # SSSR size matches reference
201: ok 7346 # correct SSSR count
201: ok 7347 # ring membership passed
201: ok 7348 # correct SSSR count
201: ok 7349 # ring membership passed
201: ok 7350 # correct SSSR count
201: ok 7351 # ring membership passed
201: ok 7352 # correct SSSR count
201: ok 7353 # ring membership passed
201: ok 7354 # correct SSSR count
201: ok 7355 # ring membership passed
201: ok 7356 # correct SSSR count
201: ok 7357 # ring membership passed
201: ok 7358 # correct SSSR count
201: ok 7359 # ring membership passed
201: ok 7360 # correct SSSR count
201: ok 7361 # ring membership passed
201: ok 7362 # correct SSSR count
201: ok 7363 # ring membership passed
201: ok 7364 # correct SSSR count
201: ok 7365 # ring membership passed
201: ok 7366 # correct SSSR count
201: ok 7367 # ring membership passed
201: ok 7368 # correct SSSR count
201: ok 7369 # ring membership passed
201: ok 7370 # correct SSSR count
201: ok 7371 # ring membership passed
201: ok 7372 # correct SSSR count
201: ok 7373 # ring membership passed
201: ok 7374 # correct ring bond data
201: ok 7375 # correct ring bond data
201: ok 7376 # correct ring bond data
201: ok 7377 # correct ring bond data
201: ok 7378 # correct ring bond data
201: ok 7379 # correct ring bond data
201: ok 7380 # correct ring bond data
201: ok 7381 # correct ring bond data
201: ok 7382 # correct ring bond data
201: ok 7383 # correct ring bond data
201: ok 7384 # correct ring bond data
201: ok 7385 # correct ring bond data
201: ok 7386 # correct ring bond data
201: ok 7387 # correct ring bond data
201: ok 7388 # correct ring bond data
201: ok 7389 # correct ring bond data
201: ok 7390 # correct ring bond data
201: ok 7391 # correct ring bond data
201: ok 7392 # correct ring bond data
201: ok 7393 # correct ring bond data
201: ok 7394 # correct ring bond data
201: ok 7395 # correct ring bond data
201: ok 7396 # correct ring bond data
201: ok 7397 # correct ring bond data
201: ok 7398 # correct ring bond data
201: ok 7399 # correct ring bond data
201: ok 7400 # correct ring bond data
201: ok 7401 # SSSR size matches reference
201: ok 7402 # correct SSSR count
201: ok 7403 # ring membership passed
201: ok 7404 # correct SSSR count
201: ok 7405 # ring membership passed
201: ok 7406 # correct SSSR count
201: ok 7407 # ring membership passed
201: ok 7408 # correct SSSR count
201: ok 7409 # ring membership passed
201: ok 7410 # correct SSSR count
201: ok 7411 # ring membership passed
201: ok 7412 # correct SSSR count
201: ok 7413 # ring membership passed
201: ok 7414 # correct SSSR count
201: ok 7415 # ring membership passed
201: ok 7416 # correct SSSR count
201: ok 7417 # ring membership passed
201: ok 7418 # correct SSSR count
201: ok 7419 # ring membership passed
201: ok 7420 # correct SSSR count
201: ok 7421 # ring membership passed
201: ok 7422 # correct SSSR count
201: ok 7423 # ring membership passed
201: ok 7424 # correct SSSR count
201: ok 7425 # ring membership passed
201: ok 7426 # correct SSSR count
201: ok 7427 # ring membership passed
201: ok 7428 # correct SSSR count
201: ok 7429 # ring membership passed
201: ok 7430 # correct SSSR count
201: ok 7431 # ring membership passed
201: ok 7432 # correct SSSR count
201: ok 7433 # ring membership passed
201: ok 7434 # correct SSSR count
201: ok 7435 # ring membership passed
201: ok 7436 # correct SSSR count
201: ok 7437 # ring membership passed
201: ok 7438 # correct SSSR count
201: ok 7439 # ring membership passed
201: ok 7440 # correct SSSR count
201: ok 7441 # ring membership passed
201: ok 7442 # correct SSSR count
201: ok 7443 # ring membership passed
201: ok 7444 # correct SSSR count
201: ok 7445 # ring membership passed
201: ok 7446 # correct SSSR count
201: ok 7447 # ring membership passed
201: ok 7448 # correct SSSR count
201: ok 7449 # ring membership passed
201: ok 7450 # correct SSSR count
201: ok 7451 # ring membership passed
201: ok 7452 # correct SSSR count
201: ok 7453 # ring membership passed
201: ok 7454 # correct ring bond data
201: ok 7455 # correct ring bond data
201: ok 7456 # correct ring bond data
201: ok 7457 # correct ring bond data
201: ok 7458 # correct ring bond data
201: ok 7459 # correct ring bond data
201: ok 7460 # correct ring bond data
201: ok 7461 # correct ring bond data
201: ok 7462 # correct ring bond data
201: ok 7463 # correct ring bond data
201: ok 7464 # correct ring bond data
201: ok 7465 # correct ring bond data
201: ok 7466 # correct ring bond data
201: ok 7467 # correct ring bond data
201: ok 7468 # correct ring bond data
201: ok 7469 # correct ring bond data
201: ok 7470 # correct ring bond data
201: ok 7471 # correct ring bond data
201: ok 7472 # correct ring bond data
201: ok 7473 # correct ring bond data
201: ok 7474 # correct ring bond data
201: ok 7475 # correct ring bond data
201: ok 7476 # correct ring bond data
201: ok 7477 # correct ring bond data
201: ok 7478 # correct ring bond data
201: ok 7479 # correct ring bond data
201: ok 7480 # correct ring bond data
201: ok 7481 # SSSR size matches reference
201: ok 7482 # correct SSSR count
201: ok 7483 # ring membership passed
201: ok 7484 # correct SSSR count
201: ok 7485 # ring membership passed
201: ok 7486 # correct SSSR count
201: ok 7487 # ring membership passed
201: ok 7488 # correct SSSR count
201: ok 7489 # ring membership passed
201: ok 7490 # correct SSSR count
201: ok 7491 # ring membership passed
201: ok 7492 # correct SSSR count
201: ok 7493 # ring membership passed
201: ok 7494 # correct SSSR count
201: ok 7495 # ring membership passed
201: ok 7496 # correct SSSR count
201: ok 7497 # ring membership passed
201: ok 7498 # correct SSSR count
201: ok 7499 # ring membership passed
201: ok 7500 # correct SSSR count
201: ok 7501 # ring membership passed
201: ok 7502 # correct SSSR count
201: ok 7503 # ring membership passed
201: ok 7504 # correct SSSR count
201: ok 7505 # ring membership passed
201: ok 7506 # correct SSSR count
201: ok 7507 # ring membership passed
201: ok 7508 # correct SSSR count
201: ok 7509 # ring membership passed
201: ok 7510 # correct SSSR count
201: ok 7511 # ring membership passed
201: ok 7512 # correct SSSR count
201: ok 7513 # ring membership passed
201: ok 7514 # correct SSSR count
201: ok 7515 # ring membership passed
201: ok 7516 # correct SSSR count
201: ok 7517 # ring membership passed
201: ok 7518 # correct SSSR count
201: ok 7519 # ring membership passed
201: ok 7520 # correct SSSR count
201: ok 7521 # ring membership passed
201: ok 7522 # correct SSSR count
201: ok 7523 # ring membership passed
201: ok 7524 # correct SSSR count
201: ok 7525 # ring membership passed
201: ok 7526 # correct SSSR count
201: ok 7527 # ring membership passed
201: ok 7528 # correct ring bond data
201: ok 7529 # correct ring bond data
201: ok 7530 # correct ring bond data
201: ok 7531 # correct ring bond data
201: ok 7532 # correct ring bond data
201: ok 7533 # correct ring bond data
201: ok 7534 # correct ring bond data
201: ok 7535 # correct ring bond data
201: ok 7536 # correct ring bond data
201: ok 7537 # correct ring bond data
201: ok 7538 # correct ring bond data
201: ok 7539 # correct ring bond data
201: ok 7540 # correct ring bond data
201: ok 7541 # correct ring bond data
201: ok 7542 # correct ring bond data
201: ok 7543 # SSSR size matches reference
201: ok 7544 # correct SSSR count
201: ok 7545 # ring membership passed
201: ok 7546 # correct SSSR count
201: ok 7547 # ring membership passed
201: ok 7548 # correct SSSR count
201: ok 7549 # ring membership passed
201: ok 7550 # correct SSSR count
201: ok 7551 # ring membership passed
201: ok 7552 # correct SSSR count
201: ok 7553 # ring membership passed
201: ok 7554 # correct SSSR count
201: ok 7555 # ring membership passed
201: ok 7556 # correct SSSR count
201: ok 7557 # ring membership passed
201: ok 7558 # correct SSSR count
201: ok 7559 # ring membership passed
201: ok 7560 # correct SSSR count
201: ok 7561 # ring membership passed
201: ok 7562 # correct SSSR count
201: ok 7563 # ring membership passed
201: ok 7564 # correct SSSR count
201: ok 7565 # ring membership passed
201: ok 7566 # correct SSSR count
201: ok 7567 # ring membership passed
201: ok 7568 # correct SSSR count
201: ok 7569 # ring membership passed
201: ok 7570 # correct SSSR count
201: ok 7571 # ring membership passed
201: ok 7572 # correct ring bond data
201: ok 7573 # correct ring bond data
201: ok 7574 # correct ring bond data
201: ok 7575 # correct ring bond data
201: ok 7576 # correct ring bond data
201: ok 7577 # correct ring bond data
201: ok 7578 # correct ring bond data
201: ok 7579 # correct ring bond data
201: ok 7580 # correct ring bond data
201: ok 7581 # correct ring bond data
201: ok 7582 # correct ring bond data
201: ok 7583 # correct ring bond data
201: ok 7584 # correct ring bond data
201: ok 7585 # SSSR size matches reference
201: ok 7586 # correct SSSR count
201: ok 7587 # ring membership passed
201: ok 7588 # correct SSSR count
201: ok 7589 # ring membership passed
201: ok 7590 # correct SSSR count
201: ok 7591 # ring membership passed
201: ok 7592 # correct SSSR count
201: ok 7593 # ring membership passed
201: ok 7594 # correct SSSR count
201: ok 7595 # ring membership passed
201: ok 7596 # correct SSSR count
201: ok 7597 # ring membership passed
201: ok 7598 # correct SSSR count
201: ok 7599 # ring membership passed
201: ok 7600 # correct SSSR count
201: ok 7601 # ring membership passed
201: ok 7602 # correct SSSR count
201: ok 7603 # ring membership passed
201: ok 7604 # correct SSSR count
201: ok 7605 # ring membership passed
201: ok 7606 # correct SSSR count
201: ok 7607 # ring membership passed
201: ok 7608 # correct SSSR count
201: ok 7609 # ring membership passed
201: ok 7610 # correct SSSR count
201: ok 7611 # ring membership passed
201: ok 7612 # correct SSSR count
201: ok 7613 # ring membership passed
201: ok 7614 # correct ring bond data
201: ok 7615 # correct ring bond data
201: ok 7616 # correct ring bond data
201: ok 7617 # correct ring bond data
201: ok 7618 # correct ring bond data
201: ok 7619 # correct ring bond data
201: ok 7620 # correct ring bond data
201: ok 7621 # correct ring bond data
201: ok 7622 # correct ring bond data
201: ok 7623 # correct ring bond data
201: ok 7624 # correct ring bond data
201: ok 7625 # correct ring bond data
201: ok 7626 # correct ring bond data
201: ok 7627 # correct ring bond data
201: ok 7628 # correct ring bond data
201: ok 7629 # correct ring bond data
201: ok 7630 # correct ring bond data
201: ok 7631 # correct ring bond data
201: ok 7632 # correct ring bond data
201: ok 7633 # correct ring bond data
201: ok 7634 # correct ring bond data
201: ok 7635 # correct ring bond data
201: ok 7636 # correct ring bond data
201: ok 7637 # correct ring bond data
201: ok 7638 # correct ring bond data
201: ok 7639 # correct ring bond data
201: ok 7640 # correct ring bond data
201: ok 7641 # correct ring bond data
201: ok 7642 # correct ring bond data
201: ok 7643 # correct ring bond data
201: ok 7644 # correct ring bond data
201: ok 7645 # correct ring bond data
201: ok 7646 # correct ring bond data
201: ok 7647 # SSSR size matches reference
201: ok 7648 # correct SSSR count
201: ok 7649 # ring membership passed
201: ok 7650 # correct SSSR count
201: ok 7651 # ring membership passed
201: ok 7652 # correct SSSR count
201: ok 7653 # ring membership passed
201: ok 7654 # correct SSSR count
201: ok 7655 # ring membership passed
201: ok 7656 # correct SSSR count
201: ok 7657 # ring membership passed
201: ok 7658 # correct SSSR count
201: ok 7659 # ring membership passed
201: ok 7660 # correct SSSR count
201: ok 7661 # ring membership passed
201: ok 7662 # correct SSSR count
201: ok 7663 # ring membership passed
201: ok 7664 # correct SSSR count
201: ok 7665 # ring membership passed
201: ok 7666 # correct SSSR count
201: ok 7667 # ring membership passed
201: ok 7668 # correct SSSR count
201: ok 7669 # ring membership passed
201: ok 7670 # correct SSSR count
201: ok 7671 # ring membership passed
201: ok 7672 # correct SSSR count
201: ok 7673 # ring membership passed
201: ok 7674 # correct SSSR count
201: ok 7675 # ring membership passed
201: ok 7676 # correct SSSR count
201: ok 7677 # ring membership passed
201: ok 7678 # correct SSSR count
201: ok 7679 # ring membership passed
201: ok 7680 # correct SSSR count
201: ok 7681 # ring membership passed
201: ok 7682 # correct SSSR count
201: ok 7683 # ring membership passed
201: ok 7684 # correct SSSR count
201: ok 7685 # ring membership passed
201: ok 7686 # correct SSSR count
201: ok 7687 # ring membership passed
201: ok 7688 # correct SSSR count
201: ok 7689 # ring membership passed
201: ok 7690 # correct SSSR count
201: ok 7691 # ring membership passed
201: ok 7692 # correct SSSR count
201: ok 7693 # ring membership passed
201: ok 7694 # correct SSSR count
201: ok 7695 # ring membership passed
201: ok 7696 # correct SSSR count
201: ok 7697 # ring membership passed
201: ok 7698 # correct SSSR count
201: ok 7699 # ring membership passed
201: ok 7700 # correct SSSR count
201: ok 7701 # ring membership passed
201: ok 7702 # correct SSSR count
201: ok 7703 # ring membership passed
201: ok 7704 # correct SSSR count
201: ok 7705 # ring membership passed
201: ok 7706 # correct SSSR count
201: ok 7707 # ring membership passed
201: ok 7708 # correct ring bond data
201: ok 7709 # correct ring bond data
201: ok 7710 # correct ring bond data
201: ok 7711 # correct ring bond data
201: ok 7712 # correct ring bond data
201: ok 7713 # correct ring bond data
201: ok 7714 # correct ring bond data
201: ok 7715 # correct ring bond data
201: ok 7716 # correct ring bond data
201: ok 7717 # correct ring bond data
201: ok 7718 # correct ring bond data
201: ok 7719 # correct ring bond data
201: ok 7720 # correct ring bond data
201: ok 7721 # correct ring bond data
201: ok 7722 # correct ring bond data
201: ok 7723 # correct ring bond data
201: ok 7724 # correct ring bond data
201: ok 7725 # correct ring bond data
201: ok 7726 # correct ring bond data
201: ok 7727 # correct ring bond data
201: ok 7728 # correct ring bond data
201: ok 7729 # SSSR size matches reference
201: ok 7730 # correct SSSR count
201: ok 7731 # ring membership passed
201: ok 7732 # correct SSSR count
201: ok 7733 # ring membership passed
201: ok 7734 # correct SSSR count
201: ok 7735 # ring membership passed
201: ok 7736 # correct SSSR count
201: ok 7737 # ring membership passed
201: ok 7738 # correct SSSR count
201: ok 7739 # ring membership passed
201: ok 7740 # correct SSSR count
201: ok 7741 # ring membership passed
201: ok 7742 # correct SSSR count
201: ok 7743 # ring membership passed
201: ok 7744 # correct SSSR count
201: ok 7745 # ring membership passed
201: ok 7746 # correct SSSR count
201: ok 7747 # ring membership passed
201: ok 7748 # correct SSSR count
201: ok 7749 # ring membership passed
201: ok 7750 # correct SSSR count
201: ok 7751 # ring membership passed
201: ok 7752 # correct SSSR count
201: ok 7753 # ring membership passed
201: ok 7754 # correct SSSR count
201: ok 7755 # ring membership passed
201: ok 7756 # correct SSSR count
201: ok 7757 # ring membership passed
201: ok 7758 # correct SSSR count
201: ok 7759 # ring membership passed
201: ok 7760 # correct SSSR count
201: ok 7761 # ring membership passed
201: ok 7762 # correct SSSR count
201: ok 7763 # ring membership passed
201: ok 7764 # correct SSSR count
201: ok 7765 # ring membership passed
201: ok 7766 # correct SSSR count
201: ok 7767 # ring membership passed
201: ok 7768 # correct SSSR count
201: ok 7769 # ring membership passed
201: ok 7770 # correct ring bond data
201: ok 7771 # correct ring bond data
201: ok 7772 # correct ring bond data
201: ok 7773 # correct ring bond data
201: ok 7774 # correct ring bond data
201: ok 7775 # correct ring bond data
201: ok 7776 # correct ring bond data
201: ok 7777 # correct ring bond data
201: ok 7778 # correct ring bond data
201: ok 7779 # correct ring bond data
201: ok 7780 # correct ring bond data
201: ok 7781 # correct ring bond data
201: ok 7782 # correct ring bond data
201: ok 7783 # correct ring bond data
201: ok 7784 # correct ring bond data
201: ok 7785 # correct ring bond data
201: ok 7786 # correct ring bond data
201: ok 7787 # correct ring bond data
201: ok 7788 # correct ring bond data
201: ok 7789 # correct ring bond data
201: ok 7790 # correct ring bond data
201: ok 7791 # correct ring bond data
201: ok 7792 # correct ring bond data
201: ok 7793 # correct ring bond data
201: ok 7794 # correct ring bond data
201: ok 7795 # correct ring bond data
201: ok 7796 # correct ring bond data
201: ok 7797 # SSSR size matches reference
201: ok 7798 # correct SSSR count
201: ok 7799 # ring membership passed
201: ok 7800 # correct SSSR count
201: ok 7801 # ring membership passed
201: ok 7802 # correct SSSR count
201: ok 7803 # ring membership passed
201: ok 7804 # correct SSSR count
201: ok 7805 # ring membership passed
201: ok 7806 # correct SSSR count
201: ok 7807 # ring membership passed
201: ok 7808 # correct SSSR count
201: ok 7809 # ring membership passed
201: ok 7810 # correct SSSR count
201: ok 7811 # ring membership passed
201: ok 7812 # correct SSSR count
201: ok 7813 # ring membership passed
201: ok 7814 # correct SSSR count
201: ok 7815 # ring membership passed
201: ok 7816 # correct SSSR count
201: ok 7817 # ring membership passed
201: ok 7818 # correct SSSR count
201: ok 7819 # ring membership passed
201: ok 7820 # correct SSSR count
201: ok 7821 # ring membership passed
201: ok 7822 # correct SSSR count
201: ok 7823 # ring membership passed
201: ok 7824 # correct SSSR count
201: ok 7825 # ring membership passed
201: ok 7826 # correct SSSR count
201: ok 7827 # ring membership passed
201: ok 7828 # correct SSSR count
201: ok 7829 # ring membership passed
201: ok 7830 # correct SSSR count
201: ok 7831 # ring membership passed
201: ok 7832 # correct SSSR count
201: ok 7833 # ring membership passed
201: ok 7834 # correct SSSR count
201: ok 7835 # ring membership passed
201: ok 7836 # correct SSSR count
201: ok 7837 # ring membership passed
201: ok 7838 # correct SSSR count
201: ok 7839 # ring membership passed
201: ok 7840 # correct SSSR count
201: ok 7841 # ring membership passed
201: ok 7842 # correct SSSR count
201: ok 7843 # ring membership passed
201: ok 7844 # correct SSSR count
201: ok 7845 # ring membership passed
201: ok 7846 # correct SSSR count
201: ok 7847 # ring membership passed
201: ok 7848 # correct SSSR count
201: ok 7849 # ring membership passed
201: ok 7850 # correct ring bond data
201: ok 7851 # correct ring bond data
201: ok 7852 # correct ring bond data
201: ok 7853 # correct ring bond data
201: ok 7854 # correct ring bond data
201: ok 7855 # correct ring bond data
201: ok 7856 # correct ring bond data
201: ok 7857 # correct ring bond data
201: ok 7858 # correct ring bond data
201: ok 7859 # correct ring bond data
201: ok 7860 # correct ring bond data
201: ok 7861 # correct ring bond data
201: ok 7862 # correct ring bond data
201: ok 7863 # correct ring bond data
201: ok 7864 # correct ring bond data
201: ok 7865 # correct ring bond data
201: ok 7866 # correct ring bond data
201: ok 7867 # correct ring bond data
201: ok 7868 # correct ring bond data
201: ok 7869 # correct ring bond data
201: ok 7870 # correct ring bond data
201: ok 7871 # correct ring bond data
201: ok 7872 # correct ring bond data
201: ok 7873 # correct ring bond data
201: ok 7874 # correct ring bond data
201: ok 7875 # SSSR size matches reference
201: ok 7876 # correct SSSR count
201: ok 7877 # ring membership passed
201: ok 7878 # correct SSSR count
201: ok 7879 # ring membership passed
201: ok 7880 # correct SSSR count
201: ok 7881 # ring membership passed
201: ok 7882 # correct SSSR count
201: ok 7883 # ring membership passed
201: ok 7884 # correct SSSR count
201: ok 7885 # ring membership passed
201: ok 7886 # correct SSSR count
201: ok 7887 # ring membership passed
201: ok 7888 # correct SSSR count
201: ok 7889 # ring membership passed
201: ok 7890 # correct SSSR count
201: ok 7891 # ring membership passed
201: ok 7892 # correct SSSR count
201: ok 7893 # ring membership passed
201: ok 7894 # correct SSSR count
201: ok 7895 # ring membership passed
201: ok 7896 # correct SSSR count
201: ok 7897 # ring membership passed
201: ok 7898 # correct SSSR count
201: ok 7899 # ring membership passed
201: ok 7900 # correct SSSR count
201: ok 7901 # ring membership passed
201: ok 7902 # correct SSSR count
201: ok 7903 # ring membership passed
201: ok 7904 # correct SSSR count
201: ok 7905 # ring membership passed
201: ok 7906 # correct SSSR count
201: ok 7907 # ring membership passed
201: ok 7908 # correct SSSR count
201: ok 7909 # ring membership passed
201: ok 7910 # correct SSSR count
201: ok 7911 # ring membership passed
201: ok 7912 # correct SSSR count
201: ok 7913 # ring membership passed
201: ok 7914 # correct SSSR count
201: ok 7915 # ring membership passed
201: ok 7916 # correct SSSR count
201: ok 7917 # ring membership passed
201: ok 7918 # correct SSSR count
201: ok 7919 # ring membership passed
201: ok 7920 # correct SSSR count
201: ok 7921 # ring membership passed
201: ok 7922 # correct SSSR count
201: ok 7923 # ring membership passed
201: ok 7924 # correct ring bond data
201: ok 7925 # correct ring bond data
201: ok 7926 # correct ring bond data
201: ok 7927 # correct ring bond data
201: ok 7928 # correct ring bond data
201: ok 7929 # correct ring bond data
201: ok 7930 # correct ring bond data
201: ok 7931 # correct ring bond data
201: ok 7932 # correct ring bond data
201: ok 7933 # correct ring bond data
201: ok 7934 # correct ring bond data
201: ok 7935 # correct ring bond data
201: ok 7936 # correct ring bond data
201: ok 7937 # correct ring bond data
201: ok 7938 # correct ring bond data
201: ok 7939 # correct ring bond data
201: ok 7940 # correct ring bond data
201: ok 7941 # correct ring bond data
201: ok 7942 # correct ring bond data
201: ok 7943 # correct ring bond data
201: ok 7944 # correct ring bond data
201: ok 7945 # correct ring bond data
201: ok 7946 # correct ring bond data
201: ok 7947 # correct ring bond data
201: ok 7948 # correct ring bond data
201: ok 7949 # correct ring bond data
201: ok 7950 # correct ring bond data
201: ok 7951 # correct ring bond data
201: ok 7952 # correct ring bond data
201: ok 7953 # correct ring bond data
201: ok 7954 # correct ring bond data
201: ok 7955 # correct ring bond data
201: ok 7956 # correct ring bond data
201: ok 7957 # SSSR size matches reference
201: ok 7958 # correct SSSR count
201: ok 7959 # ring membership passed
201: ok 7960 # correct SSSR count
201: ok 7961 # ring membership passed
201: ok 7962 # correct SSSR count
201: ok 7963 # ring membership passed
201: ok 7964 # correct SSSR count
201: ok 7965 # ring membership passed
201: ok 7966 # correct SSSR count
201: ok 7967 # ring membership passed
201: ok 7968 # correct SSSR count
201: ok 7969 # ring membership passed
201: ok 7970 # correct SSSR count
201: ok 7971 # ring membership passed
201: ok 7972 # correct SSSR count
201: ok 7973 # ring membership passed
201: ok 7974 # correct SSSR count
201: ok 7975 # ring membership passed
201: ok 7976 # correct SSSR count
201: ok 7977 # ring membership passed
201: ok 7978 # correct SSSR count
201: ok 7979 # ring membership passed
201: ok 7980 # correct SSSR count
201: ok 7981 # ring membership passed
201: ok 7982 # correct SSSR count
201: ok 7983 # ring membership passed
201: ok 7984 # correct SSSR count
201: ok 7985 # ring membership passed
201: ok 7986 # correct SSSR count
201: ok 7987 # ring membership passed
201: ok 7988 # correct SSSR count
201: ok 7989 # ring membership passed
201: ok 7990 # correct SSSR count
201: ok 7991 # ring membership passed
201: ok 7992 # correct SSSR count
201: ok 7993 # ring membership passed
201: ok 7994 # correct SSSR count
201: ok 7995 # ring membership passed
201: ok 7996 # correct SSSR count
201: ok 7997 # ring membership passed
201: ok 7998 # correct SSSR count
201: ok 7999 # ring membership passed
201: ok 8000 # correct SSSR count
201: ok 8001 # ring membership passed
201: ok 8002 # correct SSSR count
201: ok 8003 # ring membership passed
201: ok 8004 # correct SSSR count
201: ok 8005 # ring membership passed
201: ok 8006 # correct SSSR count
201: ok 8007 # ring membership passed
201: ok 8008 # correct SSSR count
201: ok 8009 # ring membership passed
201: ok 8010 # correct SSSR count
201: ok 8011 # ring membership passed
201: ok 8012 # correct SSSR count
201: ok 8013 # ring membership passed
201: ok 8014 # correct SSSR count
201: ok 8015 # ring membership passed
201: ok 8016 # correct SSSR count
201: ok 8017 # ring membership passed
201: ok 8018 # correct SSSR count
201: ok 8019 # ring membership passed
201: ok 8020 # correct ring bond data
201: ok 8021 # correct ring bond data
201: ok 8022 # correct ring bond data
201: ok 8023 # correct ring bond data
201: ok 8024 # correct ring bond data
201: ok 8025 # correct ring bond data
201: ok 8026 # correct ring bond data
201: ok 8027 # correct ring bond data
201: ok 8028 # correct ring bond data
201: ok 8029 # correct ring bond data
201: ok 8030 # correct ring bond data
201: ok 8031 # correct ring bond data
201: ok 8032 # correct ring bond data
201: ok 8033 # correct ring bond data
201: ok 8034 # correct ring bond data
201: ok 8035 # correct ring bond data
201: ok 8036 # correct ring bond data
201: ok 8037 # correct ring bond data
201: ok 8038 # correct ring bond data
201: ok 8039 # correct ring bond data
201: ok 8040 # correct ring bond data
201: ok 8041 # correct ring bond data
201: ok 8042 # correct ring bond data
201: ok 8043 # correct ring bond data
201: ok 8044 # correct ring bond data
201: ok 8045 # SSSR size matches reference
201: ok 8046 # correct SSSR count
201: ok 8047 # ring membership passed
201: ok 8048 # correct SSSR count
201: ok 8049 # ring membership passed
201: ok 8050 # correct SSSR count
201: ok 8051 # ring membership passed
201: ok 8052 # correct SSSR count
201: ok 8053 # ring membership passed
201: ok 8054 # correct SSSR count
201: ok 8055 # ring membership passed
201: ok 8056 # correct SSSR count
201: ok 8057 # ring membership passed
201: ok 8058 # correct SSSR count
201: ok 8059 # ring membership passed
201: ok 8060 # correct SSSR count
201: ok 8061 # ring membership passed
201: ok 8062 # correct SSSR count
201: ok 8063 # ring membership passed
201: ok 8064 # correct SSSR count
201: ok 8065 # ring membership passed
201: ok 8066 # correct SSSR count
201: ok 8067 # ring membership passed
201: ok 8068 # correct SSSR count
201: ok 8069 # ring membership passed
201: ok 8070 # correct SSSR count
201: ok 8071 # ring membership passed
201: ok 8072 # correct SSSR count
201: ok 8073 # ring membership passed
201: ok 8074 # correct SSSR count
201: ok 8075 # ring membership passed
201: ok 8076 # correct SSSR count
201: ok 8077 # ring membership passed
201: ok 8078 # correct SSSR count
201: ok 8079 # ring membership passed
201: ok 8080 # correct SSSR count
201: ok 8081 # ring membership passed
201: ok 8082 # correct SSSR count
201: ok 8083 # ring membership passed
201: ok 8084 # correct SSSR count
201: ok 8085 # ring membership passed
201: ok 8086 # correct SSSR count
201: ok 8087 # ring membership passed
201: ok 8088 # correct SSSR count
201: ok 8089 # ring membership passed
201: ok 8090 # correct SSSR count
201: ok 8091 # ring membership passed
201: ok 8092 # correct SSSR count
201: ok 8093 # ring membership passed
201: ok 8094 # correct ring bond data
201: ok 8095 # correct ring bond data
201: ok 8096 # correct ring bond data
201: ok 8097 # correct ring bond data
201: ok 8098 # correct ring bond data
201: ok 8099 # correct ring bond data
201: ok 8100 # correct ring bond data
201: ok 8101 # correct ring bond data
201: ok 8102 # correct ring bond data
201: ok 8103 # correct ring bond data
201: ok 8104 # correct ring bond data
201: ok 8105 # correct ring bond data
201: ok 8106 # correct ring bond data
201: ok 8107 # correct ring bond data
201: ok 8108 # correct ring bond data
201: ok 8109 # correct ring bond data
201: ok 8110 # correct ring bond data
201: ok 8111 # correct ring bond data
201: ok 8112 # correct ring bond data
201: ok 8113 # correct ring bond data
201: ok 8114 # correct ring bond data
201: ok 8115 # correct ring bond data
201: ok 8116 # correct ring bond data
201: ok 8117 # correct ring bond data
201: ok 8118 # correct ring bond data
201: ok 8119 # correct ring bond data
201: ok 8120 # SSSR size matches reference
201: ok 8121 # correct SSSR count
201: ok 8122 # ring membership passed
201: ok 8123 # correct SSSR count
201: ok 8124 # ring membership passed
201: ok 8125 # correct SSSR count
201: ok 8126 # ring membership passed
201: ok 8127 # correct SSSR count
201: ok 8128 # ring membership passed
201: ok 8129 # correct SSSR count
201: ok 8130 # ring membership passed
201: ok 8131 # correct SSSR count
201: ok 8132 # ring membership passed
201: ok 8133 # correct SSSR count
201: ok 8134 # ring membership passed
201: ok 8135 # correct SSSR count
201: ok 8136 # ring membership passed
201: ok 8137 # correct SSSR count
201: ok 8138 # ring membership passed
201: ok 8139 # correct SSSR count
201: ok 8140 # ring membership passed
201: ok 8141 # correct SSSR count
201: ok 8142 # ring membership passed
201: ok 8143 # correct SSSR count
201: ok 8144 # ring membership passed
201: ok 8145 # correct SSSR count
201: ok 8146 # ring membership passed
201: ok 8147 # correct SSSR count
201: ok 8148 # ring membership passed
201: ok 8149 # correct SSSR count
201: ok 8150 # ring membership passed
201: ok 8151 # correct SSSR count
201: ok 8152 # ring membership passed
201: ok 8153 # correct SSSR count
201: ok 8154 # ring membership passed
201: ok 8155 # correct SSSR count
201: ok 8156 # ring membership passed
201: ok 8157 # correct SSSR count
201: ok 8158 # ring membership passed
201: ok 8159 # correct SSSR count
201: ok 8160 # ring membership passed
201: ok 8161 # correct SSSR count
201: ok 8162 # ring membership passed
201: ok 8163 # correct SSSR count
201: ok 8164 # ring membership passed
201: ok 8165 # correct SSSR count
201: ok 8166 # ring membership passed
201: ok 8167 # correct SSSR count
201: ok 8168 # ring membership passed
201: ok 8169 # correct SSSR count
201: ok 8170 # ring membership passed
201: ok 8171 # correct ring bond data
201: ok 8172 # correct ring bond data
201: ok 8173 # correct ring bond data
201: ok 8174 # correct ring bond data
201: ok 8175 # correct ring bond data
201: ok 8176 # correct ring bond data
201: ok 8177 # correct ring bond data
201: ok 8178 # correct ring bond data
201: ok 8179 # correct ring bond data
201: ok 8180 # correct ring bond data
201: ok 8181 # correct ring bond data
201: ok 8182 # correct ring bond data
201: ok 8183 # correct ring bond data
201: ok 8184 # correct ring bond data
201: ok 8185 # correct ring bond data
201: ok 8186 # correct ring bond data
201: ok 8187 # correct ring bond data
201: ok 8188 # correct ring bond data
201: ok 8189 # correct ring bond data
201: ok 8190 # correct ring bond data
201: ok 8191 # correct ring bond data
201: ok 8192 # correct ring bond data
201: ok 8193 # correct ring bond data
201: ok 8194 # correct ring bond data
201: ok 8195 # SSSR size matches reference
201: ok 8196 # correct SSSR count
201: ok 8197 # ring membership passed
201: ok 8198 # correct SSSR count
201: ok 8199 # ring membership passed
201: ok 8200 # correct SSSR count
201: ok 8201 # ring membership passed
201: ok 8202 # correct SSSR count
201: ok 8203 # ring membership passed
201: ok 8204 # correct SSSR count
201: ok 8205 # ring membership passed
201: ok 8206 # correct SSSR count
201: ok 8207 # ring membership passed
201: ok 8208 # correct SSSR count
201: ok 8209 # ring membership passed
201: ok 8210 # correct SSSR count
201: ok 8211 # ring membership passed
201: ok 8212 # correct SSSR count
201: ok 8213 # ring membership passed
201: ok 8214 # correct SSSR count
201: ok 8215 # ring membership passed
201: ok 8216 # correct SSSR count
201: ok 8217 # ring membership passed
201: ok 8218 # correct SSSR count
201: ok 8219 # ring membership passed
201: ok 8220 # correct SSSR count
201: ok 8221 # ring membership passed
201: ok 8222 # correct SSSR count
201: ok 8223 # ring membership passed
201: ok 8224 # correct SSSR count
201: ok 8225 # ring membership passed
201: ok 8226 # correct SSSR count
201: ok 8227 # ring membership passed
201: ok 8228 # correct SSSR count
201: ok 8229 # ring membership passed
201: ok 8230 # correct SSSR count
201: ok 8231 # ring membership passed
201: ok 8232 # correct SSSR count
201: ok 8233 # ring membership passed
201: ok 8234 # correct SSSR count
201: ok 8235 # ring membership passed
201: ok 8236 # correct SSSR count
201: ok 8237 # ring membership passed
201: ok 8238 # correct SSSR count
201: ok 8239 # ring membership passed
201: ok 8240 # correct SSSR count
201: ok 8241 # ring membership passed
201: ok 8242 # correct ring bond data
201: ok 8243 # correct ring bond data
201: ok 8244 # correct ring bond data
201: ok 8245 # correct ring bond data
201: ok 8246 # correct ring bond data
201: ok 8247 # correct ring bond data
201: ok 8248 # correct ring bond data
201: ok 8249 # correct ring bond data
201: ok 8250 # correct ring bond data
201: ok 8251 # correct ring bond data
201: ok 8252 # correct ring bond data
201: ok 8253 # correct ring bond data
201: ok 8254 # correct ring bond data
201: ok 8255 # correct ring bond data
201: ok 8256 # correct ring bond data
201: ok 8257 # correct ring bond data
201: ok 8258 # correct ring bond data
201: ok 8259 # correct ring bond data
201: ok 8260 # correct ring bond data
201: ok 8261 # SSSR size matches reference
201: ok 8262 # correct SSSR count
201: ok 8263 # ring membership passed
201: ok 8264 # correct SSSR count
201: ok 8265 # ring membership passed
201: ok 8266 # correct SSSR count
201: ok 8267 # ring membership passed
201: ok 8268 # correct SSSR count
201: ok 8269 # ring membership passed
201: ok 8270 # correct SSSR count
201: ok 8271 # ring membership passed
201: ok 8272 # correct SSSR count
201: ok 8273 # ring membership passed
201: ok 8274 # correct SSSR count
201: ok 8275 # ring membership passed
201: ok 8276 # correct SSSR count
201: ok 8277 # ring membership passed
201: ok 8278 # correct SSSR count
201: ok 8279 # ring membership passed
201: ok 8280 # correct SSSR count
201: ok 8281 # ring membership passed
201: ok 8282 # correct SSSR count
201: ok 8283 # ring membership passed
201: ok 8284 # correct SSSR count
201: ok 8285 # ring membership passed
201: ok 8286 # correct SSSR count
201: ok 8287 # ring membership passed
201: ok 8288 # correct SSSR count
201: ok 8289 # ring membership passed
201: ok 8290 # correct SSSR count
201: ok 8291 # ring membership passed
201: ok 8292 # correct SSSR count
201: ok 8293 # ring membership passed
201: ok 8294 # correct SSSR count
201: ok 8295 # ring membership passed
201: ok 8296 # correct SSSR count
201: ok 8297 # ring membership passed
201: ok 8298 # correct ring bond data
201: ok 8299 # correct ring bond data
201: ok 8300 # correct ring bond data
201: ok 8301 # correct ring bond data
201: ok 8302 # correct ring bond data
201: ok 8303 # correct ring bond data
201: ok 8304 # correct ring bond data
201: ok 8305 # correct ring bond data
201: ok 8306 # correct ring bond data
201: ok 8307 # correct ring bond data
201: ok 8308 # correct ring bond data
201: ok 8309 # correct ring bond data
201: ok 8310 # correct ring bond data
201: ok 8311 # correct ring bond data
201: ok 8312 # correct ring bond data
201: ok 8313 # correct ring bond data
201: ok 8314 # correct ring bond data
201: ok 8315 # correct ring bond data
201: ok 8316 # correct ring bond data
201: ok 8317 # SSSR size matches reference
201: ok 8318 # correct SSSR count
201: ok 8319 # ring membership passed
201: ok 8320 # correct SSSR count
201: ok 8321 # ring membership passed
201: ok 8322 # correct SSSR count
201: ok 8323 # ring membership passed
201: ok 8324 # correct SSSR count
201: ok 8325 # ring membership passed
201: ok 8326 # correct SSSR count
201: ok 8327 # ring membership passed
201: ok 8328 # correct SSSR count
201: ok 8329 # ring membership passed
201: ok 8330 # correct SSSR count
201: ok 8331 # ring membership passed
201: ok 8332 # correct SSSR count
201: ok 8333 # ring membership passed
201: ok 8334 # correct SSSR count
201: ok 8335 # ring membership passed
201: ok 8336 # correct SSSR count
201: ok 8337 # ring membership passed
201: ok 8338 # correct SSSR count
201: ok 8339 # ring membership passed
201: ok 8340 # correct SSSR count
201: ok 8341 # ring membership passed
201: ok 8342 # correct SSSR count
201: ok 8343 # ring membership passed
201: ok 8344 # correct SSSR count
201: ok 8345 # ring membership passed
201: ok 8346 # correct SSSR count
201: ok 8347 # ring membership passed
201: ok 8348 # correct SSSR count
201: ok 8349 # ring membership passed
201: ok 8350 # correct SSSR count
201: ok 8351 # ring membership passed
201: ok 8352 # correct SSSR count
201: ok 8353 # ring membership passed
201: ok 8354 # correct ring bond data
201: ok 8355 # correct ring bond data
201: ok 8356 # correct ring bond data
201: ok 8357 # correct ring bond data
201: ok 8358 # correct ring bond data
201: ok 8359 # correct ring bond data
201: ok 8360 # correct ring bond data
201: ok 8361 # correct ring bond data
201: ok 8362 # correct ring bond data
201: ok 8363 # correct ring bond data
201: ok 8364 # correct ring bond data
201: ok 8365 # correct ring bond data
201: ok 8366 # correct ring bond data
201: ok 8367 # correct ring bond data
201: ok 8368 # correct ring bond data
201: ok 8369 # correct ring bond data
201: ok 8370 # correct ring bond data
201: ok 8371 # correct ring bond data
201: ok 8372 # correct ring bond data
201: ok 8373 # correct ring bond data
201: ok 8374 # correct ring bond data
201: ok 8375 # SSSR size matches reference
201: ok 8376 # correct SSSR count
201: ok 8377 # ring membership passed
201: ok 8378 # correct SSSR count
201: ok 8379 # ring membership passed
201: ok 8380 # correct SSSR count
201: ok 8381 # ring membership passed
201: ok 8382 # correct SSSR count
201: ok 8383 # ring membership passed
201: ok 8384 # correct SSSR count
201: ok 8385 # ring membership passed
201: ok 8386 # correct SSSR count
201: ok 8387 # ring membership passed
201: ok 8388 # correct SSSR count
201: ok 8389 # ring membership passed
201: ok 8390 # correct SSSR count
201: ok 8391 # ring membership passed
201: ok 8392 # correct SSSR count
201: ok 8393 # ring membership passed
201: ok 8394 # correct SSSR count
201: ok 8395 # ring membership passed
201: ok 8396 # correct SSSR count
201: ok 8397 # ring membership passed
201: ok 8398 # correct SSSR count
201: ok 8399 # ring membership passed
201: ok 8400 # correct SSSR count
201: ok 8401 # ring membership passed
201: ok 8402 # correct SSSR count
201: ok 8403 # ring membership passed
201: ok 8404 # correct SSSR count
201: ok 8405 # ring membership passed
201: ok 8406 # correct SSSR count
201: ok 8407 # ring membership passed
201: ok 8408 # correct SSSR count
201: ok 8409 # ring membership passed
201: ok 8410 # correct SSSR count
201: ok 8411 # ring membership passed
201: ok 8412 # correct SSSR count
201: ok 8413 # ring membership passed
201: ok 8414 # correct SSSR count
201: ok 8415 # ring membership passed
201: ok 8416 # correct ring bond data
201: ok 8417 # correct ring bond data
201: ok 8418 # correct ring bond data
201: ok 8419 # correct ring bond data
201: ok 8420 # correct ring bond data
201: ok 8421 # correct ring bond data
201: ok 8422 # correct ring bond data
201: ok 8423 # correct ring bond data
201: ok 8424 # correct ring bond data
201: ok 8425 # correct ring bond data
201: ok 8426 # correct ring bond data
201: ok 8427 # correct ring bond data
201: ok 8428 # correct ring bond data
201: ok 8429 # SSSR size matches reference
201: ok 8430 # correct SSSR count
201: ok 8431 # ring membership passed
201: ok 8432 # correct SSSR count
201: ok 8433 # ring membership passed
201: ok 8434 # correct SSSR count
201: ok 8435 # ring membership passed
201: ok 8436 # correct SSSR count
201: ok 8437 # ring membership passed
201: ok 8438 # correct SSSR count
201: ok 8439 # ring membership passed
201: ok 8440 # correct SSSR count
201: ok 8441 # ring membership passed
201: ok 8442 # correct SSSR count
201: ok 8443 # ring membership passed
201: ok 8444 # correct SSSR count
201: ok 8445 # ring membership passed
201: ok 8446 # correct SSSR count
201: ok 8447 # ring membership passed
201: ok 8448 # correct SSSR count
201: ok 8449 # ring membership passed
201: ok 8450 # correct SSSR count
201: ok 8451 # ring membership passed
201: ok 8452 # correct SSSR count
201: ok 8453 # ring membership passed
201: ok 8454 # correct SSSR count
201: ok 8455 # ring membership passed
201: ok 8456 # correct ring bond data
201: ok 8457 # correct ring bond data
201: ok 8458 # correct ring bond data
201: ok 8459 # correct ring bond data
201: ok 8460 # correct ring bond data
201: ok 8461 # correct ring bond data
201: ok 8462 # correct ring bond data
201: ok 8463 # correct ring bond data
201: ok 8464 # correct ring bond data
201: ok 8465 # correct ring bond data
201: ok 8466 # correct ring bond data
201: ok 8467 # correct ring bond data
201: ok 8468 # correct ring bond data
201: ok 8469 # correct ring bond data
201: ok 8470 # correct ring bond data
201: ok 8471 # correct ring bond data
201: ok 8472 # correct ring bond data
201: ok 8473 # correct ring bond data
201: ok 8474 # correct ring bond data
201: ok 8475 # SSSR size matches reference
201: ok 8476 # correct SSSR count
201: ok 8477 # ring membership passed
201: ok 8478 # correct SSSR count
201: ok 8479 # ring membership passed
201: ok 8480 # correct SSSR count
201: ok 8481 # ring membership passed
201: ok 8482 # correct SSSR count
201: ok 8483 # ring membership passed
201: ok 8484 # correct SSSR count
201: ok 8485 # ring membership passed
201: ok 8486 # correct SSSR count
201: ok 8487 # ring membership passed
201: ok 8488 # correct SSSR count
201: ok 8489 # ring membership passed
201: ok 8490 # correct SSSR count
201: ok 8491 # ring membership passed
201: ok 8492 # correct SSSR count
201: ok 8493 # ring membership passed
201: ok 8494 # correct SSSR count
201: ok 8495 # ring membership passed
201: ok 8496 # correct SSSR count
201: ok 8497 # ring membership passed
201: ok 8498 # correct SSSR count
201: ok 8499 # ring membership passed
201: ok 8500 # correct SSSR count
201: ok 8501 # ring membership passed
201: ok 8502 # correct SSSR count
201: ok 8503 # ring membership passed
201: ok 8504 # correct SSSR count
201: ok 8505 # ring membership passed
201: ok 8506 # correct SSSR count
201: ok 8507 # ring membership passed
201: ok 8508 # correct SSSR count
201: ok 8509 # ring membership passed
201: ok 8510 # correct SSSR count
201: ok 8511 # ring membership passed
201: ok 8512 # correct ring bond data
201: ok 8513 # correct ring bond data
201: ok 8514 # correct ring bond data
201: ok 8515 # correct ring bond data
201: ok 8516 # correct ring bond data
201: ok 8517 # correct ring bond data
201: ok 8518 # correct ring bond data
201: ok 8519 # correct ring bond data
201: ok 8520 # correct ring bond data
201: ok 8521 # correct ring bond data
201: ok 8522 # correct ring bond data
201: ok 8523 # correct ring bond data
201: ok 8524 # correct ring bond data
201: ok 8525 # correct ring bond data
201: ok 8526 # correct ring bond data
201: ok 8527 # correct ring bond data
201: ok 8528 # SSSR size matches reference
201: ok 8529 # correct SSSR count
201: ok 8530 # ring membership passed
201: ok 8531 # correct SSSR count
201: ok 8532 # ring membership passed
201: ok 8533 # correct SSSR count
201: ok 8534 # ring membership passed
201: ok 8535 # correct SSSR count
201: ok 8536 # ring membership passed
201: ok 8537 # correct SSSR count
201: ok 8538 # ring membership passed
201: ok 8539 # correct SSSR count
201: ok 8540 # ring membership passed
201: ok 8541 # correct SSSR count
201: ok 8542 # ring membership passed
201: ok 8543 # correct SSSR count
201: ok 8544 # ring membership passed
201: ok 8545 # correct SSSR count
201: ok 8546 # ring membership passed
201: ok 8547 # correct SSSR count
201: ok 8548 # ring membership passed
201: ok 8549 # correct SSSR count
201: ok 8550 # ring membership passed
201: ok 8551 # correct SSSR count
201: ok 8552 # ring membership passed
201: ok 8553 # correct SSSR count
201: ok 8554 # ring membership passed
201: ok 8555 # correct SSSR count
201: ok 8556 # ring membership passed
201: ok 8557 # correct SSSR count
201: ok 8558 # ring membership passed
201: ok 8559 # correct ring bond data
201: ok 8560 # correct ring bond data
201: ok 8561 # correct ring bond data
201: ok 8562 # correct ring bond data
201: ok 8563 # correct ring bond data
201: ok 8564 # correct ring bond data
201: ok 8565 # correct ring bond data
201: ok 8566 # correct ring bond data
201: ok 8567 # correct ring bond data
201: ok 8568 # correct ring bond data
201: ok 8569 # correct ring bond data
201: ok 8570 # correct ring bond data
201: ok 8571 # correct ring bond data
201: ok 8572 # correct ring bond data
201: ok 8573 # correct ring bond data
201: ok 8574 # correct ring bond data
201: ok 8575 # correct ring bond data
201: ok 8576 # correct ring bond data
201: ok 8577 # correct ring bond data
201: ok 8578 # SSSR size matches reference
201: ok 8579 # correct SSSR count
201: ok 8580 # ring membership passed
201: ok 8581 # correct SSSR count
201: ok 8582 # ring membership passed
201: ok 8583 # correct SSSR count
201: ok 8584 # ring membership passed
201: ok 8585 # correct SSSR count
201: ok 8586 # ring membership passed
201: ok 8587 # correct SSSR count
201: ok 8588 # ring membership passed
201: ok 8589 # correct SSSR count
201: ok 8590 # ring membership passed
201: ok 8591 # correct SSSR count
201: ok 8592 # ring membership passed
201: ok 8593 # correct SSSR count
201: ok 8594 # ring membership passed
201: ok 8595 # correct SSSR count
201: ok 8596 # ring membership passed
201: ok 8597 # correct SSSR count
201: ok 8598 # ring membership passed
201: ok 8599 # correct SSSR count
201: ok 8600 # ring membership passed
201: ok 8601 # correct SSSR count
201: ok 8602 # ring membership passed
201: ok 8603 # correct SSSR count
201: ok 8604 # ring membership passed
201: ok 8605 # correct SSSR count
201: ok 8606 # ring membership passed
201: ok 8607 # correct SSSR count
201: ok 8608 # ring membership passed
201: ok 8609 # correct SSSR count
201: ok 8610 # ring membership passed
201: ok 8611 # correct SSSR count
201: ok 8612 # ring membership passed
201: ok 8613 # correct SSSR count
201: ok 8614 # ring membership passed
201: ok 8615 # correct ring bond data
201: ok 8616 # correct ring bond data
201: ok 8617 # correct ring bond data
201: ok 8618 # correct ring bond data
201: ok 8619 # correct ring bond data
201: ok 8620 # correct ring bond data
201: ok 8621 # correct ring bond data
201: ok 8622 # correct ring bond data
201: ok 8623 # correct ring bond data
201: ok 8624 # correct ring bond data
201: ok 8625 # correct ring bond data
201: ok 8626 # correct ring bond data
201: ok 8627 # correct ring bond data
201: ok 8628 # correct ring bond data
201: ok 8629 # correct ring bond data
201: ok 8630 # correct ring bond data
201: ok 8631 # correct ring bond data
201: ok 8632 # correct ring bond data
201: ok 8633 # correct ring bond data
201: ok 8634 # correct ring bond data
201: ok 8635 # correct ring bond data
201: ok 8636 # correct ring bond data
201: ok 8637 # correct ring bond data
201: ok 8638 # correct ring bond data
201: ok 8639 # correct ring bond data
201: ok 8640 # correct ring bond data
201: ok 8641 # SSSR size matches reference
201: ok 8642 # correct SSSR count
201: ok 8643 # ring membership passed
201: ok 8644 # correct SSSR count
201: ok 8645 # ring membership passed
201: ok 8646 # correct SSSR count
201: ok 8647 # ring membership passed
201: ok 8648 # correct SSSR count
201: ok 8649 # ring membership passed
201: ok 8650 # correct SSSR count
201: ok 8651 # ring membership passed
201: ok 8652 # correct SSSR count
201: ok 8653 # ring membership passed
201: ok 8654 # correct SSSR count
201: ok 8655 # ring membership passed
201: ok 8656 # correct SSSR count
201: ok 8657 # ring membership passed
201: ok 8658 # correct SSSR count
201: ok 8659 # ring membership passed
201: ok 8660 # correct SSSR count
201: ok 8661 # ring membership passed
201: ok 8662 # correct SSSR count
201: ok 8663 # ring membership passed
201: ok 8664 # correct SSSR count
201: ok 8665 # ring membership passed
201: ok 8666 # correct SSSR count
201: ok 8667 # ring membership passed
201: ok 8668 # correct SSSR count
201: ok 8669 # ring membership passed
201: ok 8670 # correct SSSR count
201: ok 8671 # ring membership passed
201: ok 8672 # correct SSSR count
201: ok 8673 # ring membership passed
201: ok 8674 # correct SSSR count
201: ok 8675 # ring membership passed
201: ok 8676 # correct SSSR count
201: ok 8677 # ring membership passed
201: ok 8678 # correct SSSR count
201: ok 8679 # ring membership passed
201: ok 8680 # correct SSSR count
201: ok 8681 # ring membership passed
201: ok 8682 # correct SSSR count
201: ok 8683 # ring membership passed
201: ok 8684 # correct SSSR count
201: ok 8685 # ring membership passed
201: ok 8686 # correct SSSR count
201: ok 8687 # ring membership passed
201: ok 8688 # correct SSSR count
201: ok 8689 # ring membership passed
201: ok 8690 # correct ring bond data
201: ok 8691 # correct ring bond data
201: ok 8692 # correct ring bond data
201: ok 8693 # correct ring bond data
201: ok 8694 # correct ring bond data
201: ok 8695 # correct ring bond data
201: ok 8696 # correct ring bond data
201: ok 8697 # correct ring bond data
201: ok 8698 # correct ring bond data
201: ok 8699 # correct ring bond data
201: ok 8700 # correct ring bond data
201: ok 8701 # correct ring bond data
201: ok 8702 # correct ring bond data
201: ok 8703 # correct ring bond data
201: ok 8704 # correct ring bond data
201: ok 8705 # correct ring bond data
201: ok 8706 # correct ring bond data
201: ok 8707 # correct ring bond data
201: ok 8708 # correct ring bond data
201: ok 8709 # correct ring bond data
201: ok 8710 # correct ring bond data
201: ok 8711 # correct ring bond data
201: ok 8712 # correct ring bond data
201: ok 8713 # correct ring bond data
201: ok 8714 # correct ring bond data
201: ok 8715 # correct ring bond data
201: ok 8716 # correct ring bond data
201: ok 8717 # correct ring bond data
201: ok 8718 # correct ring bond data
201: ok 8719 # correct ring bond data
201: ok 8720 # correct ring bond data
201: ok 8721 # correct ring bond data
201: ok 8722 # correct ring bond data
201: ok 8723 # correct ring bond data
201: ok 8724 # SSSR size matches reference
201: ok 8725 # correct SSSR count
201: ok 8726 # ring membership passed
201: ok 8727 # correct SSSR count
201: ok 8728 # ring membership passed
201: ok 8729 # correct SSSR count
201: ok 8730 # ring membership passed
201: ok 8731 # correct SSSR count
201: ok 8732 # ring membership passed
201: ok 8733 # correct SSSR count
201: ok 8734 # ring membership passed
201: ok 8735 # correct SSSR count
201: ok 8736 # ring membership passed
201: ok 8737 # correct SSSR count
201: ok 8738 # ring membership passed
201: ok 8739 # correct SSSR count
201: ok 8740 # ring membership passed
201: ok 8741 # correct SSSR count
201: ok 8742 # ring membership passed
201: ok 8743 # correct SSSR count
201: ok 8744 # ring membership passed
201: ok 8745 # correct SSSR count
201: ok 8746 # ring membership passed
201: ok 8747 # correct SSSR count
201: ok 8748 # ring membership passed
201: ok 8749 # correct SSSR count
201: ok 8750 # ring membership passed
201: ok 8751 # correct SSSR count
201: ok 8752 # ring membership passed
201: ok 8753 # correct SSSR count
201: ok 8754 # ring membership passed
201: ok 8755 # correct SSSR count
201: ok 8756 # ring membership passed
201: ok 8757 # correct SSSR count
201: ok 8758 # ring membership passed
201: ok 8759 # correct SSSR count
201: ok 8760 # ring membership passed
201: ok 8761 # correct SSSR count
201: ok 8762 # ring membership passed
201: ok 8763 # correct SSSR count
201: ok 8764 # ring membership passed
201: ok 8765 # correct SSSR count
201: ok 8766 # ring membership passed
201: ok 8767 # correct SSSR count
201: ok 8768 # ring membership passed
201: ok 8769 # correct SSSR count
201: ok 8770 # ring membership passed
201: ok 8771 # correct SSSR count
201: ok 8772 # ring membership passed
201: ok 8773 # correct SSSR count
201: ok 8774 # ring membership passed
201: ok 8775 # correct SSSR count
201: ok 8776 # ring membership passed
201: ok 8777 # correct SSSR count
201: ok 8778 # ring membership passed
201: ok 8779 # correct SSSR count
201: ok 8780 # ring membership passed
201: ok 8781 # correct SSSR count
201: ok 8782 # ring membership passed
201: ok 8783 # correct SSSR count
201: ok 8784 # ring membership passed
201: ok 8785 # correct SSSR count
201: ok 8786 # ring membership passed
201: ok 8787 # correct SSSR count
201: ok 8788 # ring membership passed
201: ok 8789 # correct ring bond data
201: ok 8790 # correct ring bond data
201: ok 8791 # correct ring bond data
201: ok 8792 # correct ring bond data
201: ok 8793 # correct ring bond data
201: ok 8794 # correct ring bond data
201: ok 8795 # correct ring bond data
201: ok 8796 # correct ring bond data
201: ok 8797 # correct ring bond data
201: ok 8798 # correct ring bond data
201: ok 8799 # correct ring bond data
201: ok 8800 # correct ring bond data
201: ok 8801 # correct ring bond data
201: ok 8802 # correct ring bond data
201: ok 8803 # correct ring bond data
201: ok 8804 # correct ring bond data
201: ok 8805 # correct ring bond data
201: ok 8806 # correct ring bond data
201: ok 8807 # correct ring bond data
201: ok 8808 # correct ring bond data
201: ok 8809 # correct ring bond data
201: ok 8810 # correct ring bond data
201: ok 8811 # correct ring bond data
201: ok 8812 # correct ring bond data
201: ok 8813 # correct ring bond data
201: ok 8814 # correct ring bond data
201: ok 8815 # correct ring bond data
201: ok 8816 # correct ring bond data
201: ok 8817 # correct ring bond data
201: ok 8818 # correct ring bond data
201: ok 8819 # correct ring bond data
201: ok 8820 # SSSR size matches reference
201: ok 8821 # correct SSSR count
201: ok 8822 # ring membership passed
201: ok 8823 # correct SSSR count
201: ok 8824 # ring membership passed
201: ok 8825 # correct SSSR count
201: ok 8826 # ring membership passed
201: ok 8827 # correct SSSR count
201: ok 8828 # ring membership passed
201: ok 8829 # correct SSSR count
201: ok 8830 # ring membership passed
201: ok 8831 # correct SSSR count
201: ok 8832 # ring membership passed
201: ok 8833 # correct SSSR count
201: ok 8834 # ring membership passed
201: ok 8835 # correct SSSR count
201: ok 8836 # ring membership passed
201: ok 8837 # correct SSSR count
201: ok 8838 # ring membership passed
201: ok 8839 # correct SSSR count
201: ok 8840 # ring membership passed
201: ok 8841 # correct SSSR count
201: ok 8842 # ring membership passed
201: ok 8843 # correct SSSR count
201: ok 8844 # ring membership passed
201: ok 8845 # correct SSSR count
201: ok 8846 # ring membership passed
201: ok 8847 # correct SSSR count
201: ok 8848 # ring membership passed
201: ok 8849 # correct SSSR count
201: ok 8850 # ring membership passed
201: ok 8851 # correct SSSR count
201: ok 8852 # ring membership passed
201: ok 8853 # correct SSSR count
201: ok 8854 # ring membership passed
201: ok 8855 # correct SSSR count
201: ok 8856 # ring membership passed
201: ok 8857 # correct SSSR count
201: ok 8858 # ring membership passed
201: ok 8859 # correct SSSR count
201: ok 8860 # ring membership passed
201: ok 8861 # correct SSSR count
201: ok 8862 # ring membership passed
201: ok 8863 # correct SSSR count
201: ok 8864 # ring membership passed
201: ok 8865 # correct SSSR count
201: ok 8866 # ring membership passed
201: ok 8867 # correct SSSR count
201: ok 8868 # ring membership passed
201: ok 8869 # correct SSSR count
201: ok 8870 # ring membership passed
201: ok 8871 # correct SSSR count
201: ok 8872 # ring membership passed
201: ok 8873 # correct SSSR count
201: ok 8874 # ring membership passed
201: ok 8875 # correct SSSR count
201: ok 8876 # ring membership passed
201: ok 8877 # correct SSSR count
201: ok 8878 # ring membership passed
201: ok 8879 # correct ring bond data
201: ok 8880 # correct ring bond data
201: ok 8881 # correct ring bond data
201: ok 8882 # correct ring bond data
201: ok 8883 # correct ring bond data
201: ok 8884 # correct ring bond data
201: ok 8885 # correct ring bond data
201: ok 8886 # correct ring bond data
201: ok 8887 # correct ring bond data
201: ok 8888 # SSSR size matches reference
201: ok 8889 # correct SSSR count
201: ok 8890 # ring membership passed
201: ok 8891 # correct SSSR count
201: ok 8892 # ring membership passed
201: ok 8893 # correct SSSR count
201: ok 8894 # ring membership passed
201: ok 8895 # correct SSSR count
201: ok 8896 # ring membership passed
201: ok 8897 # correct SSSR count
201: ok 8898 # ring membership passed
201: ok 8899 # correct SSSR count
201: ok 8900 # ring membership passed
201: ok 8901 # correct SSSR count
201: ok 8902 # ring membership passed
201: ok 8903 # correct SSSR count
201: ok 8904 # ring membership passed
201: ok 8905 # correct SSSR count
201: ok 8906 # ring membership passed
201: ok 8907 # correct ring bond data
201: ok 8908 # correct ring bond data
201: ok 8909 # correct ring bond data
201: ok 8910 # correct ring bond data
201: ok 8911 # correct ring bond data
201: ok 8912 # correct ring bond data
201: ok 8913 # correct ring bond data
201: ok 8914 # correct ring bond data
201: ok 8915 # correct ring bond data
201: ok 8916 # correct ring bond data
201: ok 8917 # correct ring bond data
201: ok 8918 # correct ring bond data
201: ok 8919 # correct ring bond data
201: ok 8920 # correct ring bond data
201: ok 8921 # correct ring bond data
201: ok 8922 # correct ring bond data
201: ok 8923 # correct ring bond data
201: ok 8924 # correct ring bond data
201: ok 8925 # SSSR size matches reference
201: ok 8926 # correct SSSR count
201: ok 8927 # ring membership passed
201: ok 8928 # correct SSSR count
201: ok 8929 # ring membership passed
201: ok 8930 # correct SSSR count
201: ok 8931 # ring membership passed
201: ok 8932 # correct SSSR count
201: ok 8933 # ring membership passed
201: ok 8934 # correct SSSR count
201: ok 8935 # ring membership passed
201: ok 8936 # correct SSSR count
201: ok 8937 # ring membership passed
201: ok 8938 # correct SSSR count
201: ok 8939 # ring membership passed
201: ok 8940 # correct SSSR count
201: ok 8941 # ring membership passed
201: ok 8942 # correct SSSR count
201: ok 8943 # ring membership passed
201: ok 8944 # correct SSSR count
201: ok 8945 # ring membership passed
201: ok 8946 # correct SSSR count
201: ok 8947 # ring membership passed
201: ok 8948 # correct SSSR count
201: ok 8949 # ring membership passed
201: ok 8950 # correct SSSR count
201: ok 8951 # ring membership passed
201: ok 8952 # correct SSSR count
201: ok 8953 # ring membership passed
201: ok 8954 # correct SSSR count
201: ok 8955 # ring membership passed
201: ok 8956 # correct SSSR count
201: ok 8957 # ring membership passed
201: ok 8958 # correct SSSR count
201: ok 8959 # ring membership passed
201: ok 8960 # correct ring bond data
201: ok 8961 # correct ring bond data
201: ok 8962 # correct ring bond data
201: ok 8963 # correct ring bond data
201: ok 8964 # correct ring bond data
201: ok 8965 # correct ring bond data
201: ok 8966 # correct ring bond data
201: ok 8967 # correct ring bond data
201: ok 8968 # correct ring bond data
201: ok 8969 # correct ring bond data
201: ok 8970 # correct ring bond data
201: ok 8971 # correct ring bond data
201: ok 8972 # correct ring bond data
201: ok 8973 # correct ring bond data
201: ok 8974 # SSSR size matches reference
201: ok 8975 # correct SSSR count
201: ok 8976 # ring membership passed
201: ok 8977 # correct SSSR count
201: ok 8978 # ring membership passed
201: ok 8979 # correct SSSR count
201: ok 8980 # ring membership passed
201: ok 8981 # correct SSSR count
201: ok 8982 # ring membership passed
201: ok 8983 # correct SSSR count
201: ok 8984 # ring membership passed
201: ok 8985 # correct SSSR count
201: ok 8986 # ring membership passed
201: ok 8987 # correct SSSR count
201: ok 8988 # ring membership passed
201: ok 8989 # correct SSSR count
201: ok 8990 # ring membership passed
201: ok 8991 # correct SSSR count
201: ok 8992 # ring membership passed
201: ok 8993 # correct SSSR count
201: ok 8994 # ring membership passed
201: ok 8995 # correct SSSR count
201: ok 8996 # ring membership passed
201: ok 8997 # correct SSSR count
201: ok 8998 # ring membership passed
201: ok 8999 # correct SSSR count
201: ok 9000 # ring membership passed
201: ok 9001 # correct ring bond data
201: ok 9002 # correct ring bond data
201: ok 9003 # correct ring bond data
201: ok 9004 # correct ring bond data
201: ok 9005 # correct ring bond data
201: ok 9006 # correct ring bond data
201: ok 9007 # correct ring bond data
201: ok 9008 # correct ring bond data
201: ok 9009 # correct ring bond data
201: ok 9010 # correct ring bond data
201: ok 9011 # correct ring bond data
201: ok 9012 # correct ring bond data
201: ok 9013 # correct ring bond data
201: ok 9014 # correct ring bond data
201: ok 9015 # SSSR size matches reference
201: ok 9016 # correct SSSR count
201: ok 9017 # ring membership passed
201: ok 9018 # correct SSSR count
201: ok 9019 # ring membership passed
201: ok 9020 # correct SSSR count
201: ok 9021 # ring membership passed
201: ok 9022 # correct SSSR count
201: ok 9023 # ring membership passed
201: ok 9024 # correct SSSR count
201: ok 9025 # ring membership passed
201: ok 9026 # correct SSSR count
201: ok 9027 # ring membership passed
201: ok 9028 # correct SSSR count
201: ok 9029 # ring membership passed
201: ok 9030 # correct SSSR count
201: ok 9031 # ring membership passed
201: ok 9032 # correct SSSR count
201: ok 9033 # ring membership passed
201: ok 9034 # correct SSSR count
201: ok 9035 # ring membership passed
201: ok 9036 # correct SSSR count
201: ok 9037 # ring membership passed
201: ok 9038 # correct SSSR count
201: ok 9039 # ring membership passed
201: ok 9040 # correct SSSR count
201: ok 9041 # ring membership passed
201: ok 9042 # correct SSSR count
201: ok 9043 # ring membership passed
201: ok 9044 # correct ring bond data
201: ok 9045 # correct ring bond data
201: ok 9046 # correct ring bond data
201: ok 9047 # correct ring bond data
201: ok 9048 # correct ring bond data
201: ok 9049 # correct ring bond data
201: ok 9050 # correct ring bond data
201: ok 9051 # correct ring bond data
201: ok 9052 # correct ring bond data
201: ok 9053 # correct ring bond data
201: ok 9054 # correct ring bond data
201: ok 9055 # SSSR size matches reference
201: ok 9056 # correct SSSR count
201: ok 9057 # ring membership passed
201: ok 9058 # correct SSSR count
201: ok 9059 # ring membership passed
201: ok 9060 # correct SSSR count
201: ok 9061 # ring membership passed
201: ok 9062 # correct SSSR count
201: ok 9063 # ring membership passed
201: ok 9064 # correct SSSR count
201: ok 9065 # ring membership passed
201: ok 9066 # correct SSSR count
201: ok 9067 # ring membership passed
201: ok 9068 # correct SSSR count
201: ok 9069 # ring membership passed
201: ok 9070 # correct SSSR count
201: ok 9071 # ring membership passed
201: ok 9072 # correct SSSR count
201: ok 9073 # ring membership passed
201: ok 9074 # correct SSSR count
201: ok 9075 # ring membership passed
201: ok 9076 # correct SSSR count
201: ok 9077 # ring membership passed
201: ok 9078 # correct SSSR count
201: ok 9079 # ring membership passed
201: ok 9080 # correct ring bond data
201: ok 9081 # correct ring bond data
201: ok 9082 # correct ring bond data
201: ok 9083 # correct ring bond data
201: ok 9084 # correct ring bond data
201: ok 9085 # correct ring bond data
201: ok 9086 # correct ring bond data
201: ok 9087 # correct ring bond data
201: ok 9088 # correct ring bond data
201: ok 9089 # correct ring bond data
201: ok 9090 # correct ring bond data
201: ok 9091 # correct ring bond data
201: ok 9092 # correct ring bond data
201: ok 9093 # correct ring bond data
201: ok 9094 # correct ring bond data
201: ok 9095 # correct ring bond data
201: ok 9096 # correct ring bond data
201: ok 9097 # correct ring bond data
201: ok 9098 # correct ring bond data
201: ok 9099 # correct ring bond data
201: ok 9100 # correct ring bond data
201: ok 9101 # correct ring bond data
201: ok 9102 # correct ring bond data
201: ok 9103 # correct ring bond data
201: ok 9104 # correct ring bond data
201: ok 9105 # correct ring bond data
201: ok 9106 # correct ring bond data
201: ok 9107 # correct ring bond data
201: ok 9108 # correct ring bond data
201: ok 9109 # SSSR size matches reference
201: ok 9110 # correct SSSR count
201: ok 9111 # ring membership passed
201: ok 9112 # correct SSSR count
201: ok 9113 # ring membership passed
201: ok 9114 # correct SSSR count
201: ok 9115 # ring membership passed
201: ok 9116 # correct SSSR count
201: ok 9117 # ring membership passed
201: ok 9118 # correct SSSR count
201: ok 9119 # ring membership passed
201: ok 9120 # correct SSSR count
201: ok 9121 # ring membership passed
201: ok 9122 # correct SSSR count
201: ok 9123 # ring membership passed
201: ok 9124 # correct SSSR count
201: ok 9125 # ring membership passed
201: ok 9126 # correct SSSR count
201: ok 9127 # ring membership passed
201: ok 9128 # correct SSSR count
201: ok 9129 # ring membership passed
201: ok 9130 # correct SSSR count
201: ok 9131 # ring membership passed
201: ok 9132 # correct SSSR count
201: ok 9133 # ring membership passed
201: ok 9134 # correct SSSR count
201: ok 9135 # ring membership passed
201: ok 9136 # correct SSSR count
201: ok 9137 # ring membership passed
201: ok 9138 # correct SSSR count
201: ok 9139 # ring membership passed
201: ok 9140 # correct SSSR count
201: ok 9141 # ring membership passed
201: ok 9142 # correct SSSR count
201: ok 9143 # ring membership passed
201: ok 9144 # correct SSSR count
201: ok 9145 # ring membership passed
201: ok 9146 # correct SSSR count
201: ok 9147 # ring membership passed
201: ok 9148 # correct SSSR count
201: ok 9149 # ring membership passed
201: ok 9150 # correct SSSR count
201: ok 9151 # ring membership passed
201: ok 9152 # correct SSSR count
201: ok 9153 # ring membership passed
201: ok 9154 # correct SSSR count
201: ok 9155 # ring membership passed
201: ok 9156 # correct SSSR count
201: ok 9157 # ring membership passed
201: ok 9158 # correct SSSR count
201: ok 9159 # ring membership passed
201: ok 9160 # correct SSSR count
201: ok 9161 # ring membership passed
201: ok 9162 # correct SSSR count
201: ok 9163 # ring membership passed
201: ok 9164 # correct SSSR count
201: ok 9165 # ring membership passed
201: ok 9166 # correct ring bond data
201: ok 9167 # correct ring bond data
201: ok 9168 # correct ring bond data
201: ok 9169 # correct ring bond data
201: ok 9170 # correct ring bond data
201: ok 9171 # correct ring bond data
201: ok 9172 # correct ring bond data
201: ok 9173 # correct ring bond data
201: ok 9174 # correct ring bond data
201: ok 9175 # correct ring bond data
201: ok 9176 # correct ring bond data
201: ok 9177 # correct ring bond data
201: ok 9178 # correct ring bond data
201: ok 9179 # correct ring bond data
201: ok 9180 # correct ring bond data
201: ok 9181 # correct ring bond data
201: ok 9182 # correct ring bond data
201: ok 9183 # correct ring bond data
201: ok 9184 # correct ring bond data
201: ok 9185 # correct ring bond data
201: ok 9186 # correct ring bond data
201: ok 9187 # correct ring bond data
201: ok 9188 # correct ring bond data
201: ok 9189 # correct ring bond data
201: ok 9190 # correct ring bond data
201: ok 9191 # correct ring bond data
201: ok 9192 # correct ring bond data
201: ok 9193 # correct ring bond data
201: ok 9194 # correct ring bond data
201: ok 9195 # correct ring bond data
201: ok 9196 # correct ring bond data
201: ok 9197 # SSSR size matches reference
201: ok 9198 # correct SSSR count
201: ok 9199 # ring membership passed
201: ok 9200 # correct SSSR count
201: ok 9201 # ring membership passed
201: ok 9202 # correct SSSR count
201: ok 9203 # ring membership passed
201: ok 9204 # correct SSSR count
201: ok 9205 # ring membership passed
201: ok 9206 # correct SSSR count
201: ok 9207 # ring membership passed
201: ok 9208 # correct SSSR count
201: ok 9209 # ring membership passed
201: ok 9210 # correct SSSR count
201: ok 9211 # ring membership passed
201: ok 9212 # correct SSSR count
201: ok 9213 # ring membership passed
201: ok 9214 # correct SSSR count
201: ok 9215 # ring membership passed
201: ok 9216 # correct SSSR count
201: ok 9217 # ring membership passed
201: ok 9218 # correct SSSR count
201: ok 9219 # ring membership passed
201: ok 9220 # correct SSSR count
201: ok 9221 # ring membership passed
201: ok 9222 # correct SSSR count
201: ok 9223 # ring membership passed
201: ok 9224 # correct SSSR count
201: ok 9225 # ring membership passed
201: ok 9226 # correct SSSR count
201: ok 9227 # ring membership passed
201: ok 9228 # correct SSSR count
201: ok 9229 # ring membership passed
201: ok 9230 # correct SSSR count
201: ok 9231 # ring membership passed
201: ok 9232 # correct SSSR count
201: ok 9233 # ring membership passed
201: ok 9234 # correct SSSR count
201: ok 9235 # ring membership passed
201: ok 9236 # correct SSSR count
201: ok 9237 # ring membership passed
201: ok 9238 # correct SSSR count
201: ok 9239 # ring membership passed
201: ok 9240 # correct SSSR count
201: ok 9241 # ring membership passed
201: ok 9242 # correct SSSR count
201: ok 9243 # ring membership passed
201: ok 9244 # correct SSSR count
201: ok 9245 # ring membership passed
201: ok 9246 # correct SSSR count
201: ok 9247 # ring membership passed
201: ok 9248 # correct SSSR count
201: ok 9249 # ring membership passed
201: ok 9250 # correct SSSR count
201: ok 9251 # ring membership passed
201: ok 9252 # correct SSSR count
201: ok 9253 # ring membership passed
201: ok 9254 # correct ring bond data
201: ok 9255 # correct ring bond data
201: ok 9256 # correct ring bond data
201: ok 9257 # correct ring bond data
201: ok 9258 # correct ring bond data
201: ok 9259 # correct ring bond data
201: ok 9260 # correct ring bond data
201: ok 9261 # correct ring bond data
201: ok 9262 # correct ring bond data
201: ok 9263 # correct ring bond data
201: ok 9264 # correct ring bond data
201: ok 9265 # correct ring bond data
201: ok 9266 # correct ring bond data
201: ok 9267 # correct ring bond data
201: ok 9268 # correct ring bond data
201: ok 9269 # correct ring bond data
201: ok 9270 # correct ring bond data
201: ok 9271 # correct ring bond data
201: ok 9272 # correct ring bond data
201: ok 9273 # SSSR size matches reference
201: ok 9274 # correct SSSR count
201: ok 9275 # ring membership passed
201: ok 9276 # correct SSSR count
201: ok 9277 # ring membership passed
201: ok 9278 # correct SSSR count
201: ok 9279 # ring membership passed
201: ok 9280 # correct SSSR count
201: ok 9281 # ring membership passed
201: ok 9282 # correct SSSR count
201: ok 9283 # ring membership passed
201: ok 9284 # correct SSSR count
201: ok 9285 # ring membership passed
201: ok 9286 # correct SSSR count
201: ok 9287 # ring membership passed
201: ok 9288 # correct SSSR count
201: ok 9289 # ring membership passed
201: ok 9290 # correct SSSR count
201: ok 9291 # ring membership passed
201: ok 9292 # correct SSSR count
201: ok 9293 # ring membership passed
201: ok 9294 # correct SSSR count
201: ok 9295 # ring membership passed
201: ok 9296 # correct SSSR count
201: ok 9297 # ring membership passed
201: ok 9298 # correct SSSR count
201: ok 9299 # ring membership passed
201: ok 9300 # correct SSSR count
201: ok 9301 # ring membership passed
201: ok 9302 # correct SSSR count
201: ok 9303 # ring membership passed
201: ok 9304 # correct SSSR count
201: ok 9305 # ring membership passed
201: ok 9306 # correct SSSR count
201: ok 9307 # ring membership passed
201: ok 9308 # correct SSSR count
201: ok 9309 # ring membership passed
201: ok 9310 # correct SSSR count
201: ok 9311 # ring membership passed
201: ok 9312 # correct ring bond data
201: ok 9313 # correct ring bond data
201: ok 9314 # correct ring bond data
201: ok 9315 # correct ring bond data
201: ok 9316 # correct ring bond data
201: ok 9317 # correct ring bond data
201: ok 9318 # correct ring bond data
201: ok 9319 # correct ring bond data
201: ok 9320 # correct ring bond data
201: ok 9321 # correct ring bond data
201: ok 9322 # correct ring bond data
201: ok 9323 # correct ring bond data
201: ok 9324 # correct ring bond data
201: ok 9325 # correct ring bond data
201: ok 9326 # correct ring bond data
201: ok 9327 # correct ring bond data
201: ok 9328 # correct ring bond data
201: ok 9329 # correct ring bond data
201: ok 9330 # correct ring bond data
201: ok 9331 # correct ring bond data
201: ok 9332 # correct ring bond data
201: ok 9333 # correct ring bond data
201: ok 9334 # correct ring bond data
201: ok 9335 # correct ring bond data
201: ok 9336 # correct ring bond data
201: ok 9337 # SSSR size matches reference
201: ok 9338 # correct SSSR count
201: ok 9339 # ring membership passed
201: ok 9340 # correct SSSR count
201: ok 9341 # ring membership passed
201: ok 9342 # correct SSSR count
201: ok 9343 # ring membership passed
201: ok 9344 # correct SSSR count
201: ok 9345 # ring membership passed
201: ok 9346 # correct SSSR count
201: ok 9347 # ring membership passed
201: ok 9348 # correct SSSR count
201: ok 9349 # ring membership passed
201: ok 9350 # correct SSSR count
201: ok 9351 # ring membership passed
201: ok 9352 # correct SSSR count
201: ok 9353 # ring membership passed
201: ok 9354 # correct SSSR count
201: ok 9355 # ring membership passed
201: ok 9356 # correct SSSR count
201: ok 9357 # ring membership passed
201: ok 9358 # correct SSSR count
201: ok 9359 # ring membership passed
201: ok 9360 # correct SSSR count
201: ok 9361 # ring membership passed
201: ok 9362 # correct SSSR count
201: ok 9363 # ring membership passed
201: ok 9364 # correct SSSR count
201: ok 9365 # ring membership passed
201: ok 9366 # correct SSSR count
201: ok 9367 # ring membership passed
201: ok 9368 # correct SSSR count
201: ok 9369 # ring membership passed
201: ok 9370 # correct SSSR count
201: ok 9371 # ring membership passed
201: ok 9372 # correct SSSR count
201: ok 9373 # ring membership passed
201: ok 9374 # correct SSSR count
201: ok 9375 # ring membership passed
201: ok 9376 # correct SSSR count
201: ok 9377 # ring membership passed
201: ok 9378 # correct SSSR count
201: ok 9379 # ring membership passed
201: ok 9380 # correct SSSR count
201: ok 9381 # ring membership passed
201: ok 9382 # correct ring bond data
201: ok 9383 # correct ring bond data
201: ok 9384 # correct ring bond data
201: ok 9385 # correct ring bond data
201: ok 9386 # correct ring bond data
201: ok 9387 # correct ring bond data
201: ok 9388 # correct ring bond data
201: ok 9389 # correct ring bond data
201: ok 9390 # correct ring bond data
201: ok 9391 # correct ring bond data
201: ok 9392 # correct ring bond data
201: ok 9393 # correct ring bond data
201: ok 9394 # correct ring bond data
201: ok 9395 # correct ring bond data
201: ok 9396 # correct ring bond data
201: ok 9397 # correct ring bond data
201: ok 9398 # correct ring bond data
201: ok 9399 # correct ring bond data
201: ok 9400 # SSSR size matches reference
201: ok 9401 # correct SSSR count
201: ok 9402 # ring membership passed
201: ok 9403 # correct SSSR count
201: ok 9404 # ring membership passed
201: ok 9405 # correct SSSR count
201: ok 9406 # ring membership passed
201: ok 9407 # correct SSSR count
201: ok 9408 # ring membership passed
201: ok 9409 # correct SSSR count
201: ok 9410 # ring membership passed
201: ok 9411 # correct SSSR count
201: ok 9412 # ring membership passed
201: ok 9413 # correct SSSR count
201: ok 9414 # ring membership passed
201: ok 9415 # correct SSSR count
201: ok 9416 # ring membership passed
201: ok 9417 # correct SSSR count
201: ok 9418 # ring membership passed
201: ok 9419 # correct SSSR count
201: ok 9420 # ring membership passed
201: ok 9421 # correct SSSR count
201: ok 9422 # ring membership passed
201: ok 9423 # correct SSSR count
201: ok 9424 # ring membership passed
201: ok 9425 # correct SSSR count
201: ok 9426 # ring membership passed
201: ok 9427 # correct SSSR count
201: ok 9428 # ring membership passed
201: ok 9429 # correct SSSR count
201: ok 9430 # ring membership passed
201: ok 9431 # correct SSSR count
201: ok 9432 # ring membership passed
201: ok 9433 # correct SSSR count
201: ok 9434 # ring membership passed
201: ok 9435 # correct ring bond data
201: ok 9436 # correct ring bond data
201: ok 9437 # correct ring bond data
201: ok 9438 # correct ring bond data
201: ok 9439 # correct ring bond data
201: ok 9440 # correct ring bond data
201: ok 9441 # correct ring bond data
201: ok 9442 # correct ring bond data
201: ok 9443 # correct ring bond data
201: ok 9444 # correct ring bond data
201: ok 9445 # correct ring bond data
201: ok 9446 # correct ring bond data
201: ok 9447 # correct ring bond data
201: ok 9448 # correct ring bond data
201: ok 9449 # correct ring bond data
201: ok 9450 # correct ring bond data
201: ok 9451 # correct ring bond data
201: ok 9452 # correct ring bond data
201: ok 9453 # correct ring bond data
201: ok 9454 # correct ring bond data
201: ok 9455 # correct ring bond data
201: ok 9456 # correct ring bond data
201: ok 9457 # correct ring bond data
201: ok 9458 # correct ring bond data
201: ok 9459 # correct ring bond data
201: ok 9460 # correct ring bond data
201: ok 9461 # correct ring bond data
201: ok 9462 # SSSR size matches reference
201: ok 9463 # correct SSSR count
201: ok 9464 # ring membership passed
201: ok 9465 # correct SSSR count
201: ok 9466 # ring membership passed
201: ok 9467 # correct SSSR count
201: ok 9468 # ring membership passed
201: ok 9469 # correct SSSR count
201: ok 9470 # ring membership passed
201: ok 9471 # correct SSSR count
201: ok 9472 # ring membership passed
201: ok 9473 # correct SSSR count
201: ok 9474 # ring membership passed
201: ok 9475 # correct SSSR count
201: ok 9476 # ring membership passed
201: ok 9477 # correct SSSR count
201: ok 9478 # ring membership passed
201: ok 9479 # correct SSSR count
201: ok 9480 # ring membership passed
201: ok 9481 # correct SSSR count
201: ok 9482 # ring membership passed
201: ok 9483 # correct SSSR count
201: ok 9484 # ring membership passed
201: ok 9485 # correct SSSR count
201: ok 9486 # ring membership passed
201: ok 9487 # correct SSSR count
201: ok 9488 # ring membership passed
201: ok 9489 # correct SSSR count
201: ok 9490 # ring membership passed
201: ok 9491 # correct SSSR count
201: ok 9492 # ring membership passed
201: ok 9493 # correct SSSR count
201: ok 9494 # ring membership passed
201: ok 9495 # correct SSSR count
201: ok 9496 # ring membership passed
201: ok 9497 # correct SSSR count
201: ok 9498 # ring membership passed
201: ok 9499 # correct SSSR count
201: ok 9500 # ring membership passed
201: ok 9501 # correct SSSR count
201: ok 9502 # ring membership passed
201: ok 9503 # correct SSSR count
201: ok 9504 # ring membership passed
201: ok 9505 # correct SSSR count
201: ok 9506 # ring membership passed
201: ok 9507 # correct SSSR count
201: ok 9508 # ring membership passed
201: ok 9509 # correct SSSR count
201: ok 9510 # ring membership passed
201: ok 9511 # correct SSSR count
201: ok 9512 # ring membership passed
201: ok 9513 # correct ring bond data
201: ok 9514 # correct ring bond data
201: ok 9515 # correct ring bond data
201: ok 9516 # correct ring bond data
201: ok 9517 # correct ring bond data
201: ok 9518 # correct ring bond data
201: ok 9519 # correct ring bond data
201: ok 9520 # correct ring bond data
201: ok 9521 # correct ring bond data
201: ok 9522 # correct ring bond data
201: ok 9523 # correct ring bond data
201: ok 9524 # correct ring bond data
201: ok 9525 # correct ring bond data
201: ok 9526 # correct ring bond data
201: ok 9527 # correct ring bond data
201: ok 9528 # correct ring bond data
201: ok 9529 # correct ring bond data
201: ok 9530 # correct ring bond data
201: ok 9531 # correct ring bond data
201: ok 9532 # correct ring bond data
201: ok 9533 # correct ring bond data
201: ok 9534 # correct ring bond data
201: ok 9535 # correct ring bond data
201: ok 9536 # correct ring bond data
201: ok 9537 # SSSR size matches reference
201: ok 9538 # correct SSSR count
201: ok 9539 # ring membership passed
201: ok 9540 # correct SSSR count
201: ok 9541 # ring membership passed
201: ok 9542 # correct SSSR count
201: ok 9543 # ring membership passed
201: ok 9544 # correct SSSR count
201: ok 9545 # ring membership passed
201: ok 9546 # correct SSSR count
201: ok 9547 # ring membership passed
201: ok 9548 # correct SSSR count
201: ok 9549 # ring membership passed
201: ok 9550 # correct SSSR count
201: ok 9551 # ring membership passed
201: ok 9552 # correct SSSR count
201: ok 9553 # ring membership passed
201: ok 9554 # correct SSSR count
201: ok 9555 # ring membership passed
201: ok 9556 # correct SSSR count
201: ok 9557 # ring membership passed
201: ok 9558 # correct SSSR count
201: ok 9559 # ring membership passed
201: ok 9560 # correct SSSR count
201: ok 9561 # ring membership passed
201: ok 9562 # correct SSSR count
201: ok 9563 # ring membership passed
201: ok 9564 # correct SSSR count
201: ok 9565 # ring membership passed
201: ok 9566 # correct SSSR count
201: ok 9567 # ring membership passed
201: ok 9568 # correct SSSR count
201: ok 9569 # ring membership passed
201: ok 9570 # correct SSSR count
201: ok 9571 # ring membership passed
201: ok 9572 # correct SSSR count
201: ok 9573 # ring membership passed
201: ok 9574 # correct SSSR count
201: ok 9575 # ring membership passed
201: ok 9576 # correct SSSR count
201: ok 9577 # ring membership passed
201: ok 9578 # correct SSSR count
201: ok 9579 # ring membership passed
201: ok 9580 # correct SSSR count
201: ok 9581 # ring membership passed
201: ok 9582 # correct SSSR count
201: ok 9583 # ring membership passed
201: ok 9584 # correct ring bond data
201: ok 9585 # correct ring bond data
201: ok 9586 # correct ring bond data
201: ok 9587 # correct ring bond data
201: ok 9588 # correct ring bond data
201: ok 9589 # correct ring bond data
201: ok 9590 # correct ring bond data
201: ok 9591 # correct ring bond data
201: ok 9592 # correct ring bond data
201: ok 9593 # correct ring bond data
201: ok 9594 # correct ring bond data
201: ok 9595 # correct ring bond data
201: ok 9596 # correct ring bond data
201: ok 9597 # correct ring bond data
201: ok 9598 # correct ring bond data
201: ok 9599 # correct ring bond data
201: ok 9600 # correct ring bond data
201: ok 9601 # correct ring bond data
201: ok 9602 # correct ring bond data
201: ok 9603 # correct ring bond data
201: ok 9604 # correct ring bond data
201: ok 9605 # correct ring bond data
201: ok 9606 # correct ring bond data
201: ok 9607 # correct ring bond data
201: ok 9608 # SSSR size matches reference
201: ok 9609 # correct SSSR count
201: ok 9610 # ring membership passed
201: ok 9611 # correct SSSR count
201: ok 9612 # ring membership passed
201: ok 9613 # correct SSSR count
201: ok 9614 # ring membership passed
201: ok 9615 # correct SSSR count
201: ok 9616 # ring membership passed
201: ok 9617 # correct SSSR count
201: ok 9618 # ring membership passed
201: ok 9619 # correct SSSR count
201: ok 9620 # ring membership passed
201: ok 9621 # correct SSSR count
201: ok 9622 # ring membership passed
201: ok 9623 # correct SSSR count
201: ok 9624 # ring membership passed
201: ok 9625 # correct SSSR count
201: ok 9626 # ring membership passed
201: ok 9627 # correct SSSR count
201: ok 9628 # ring membership passed
201: ok 9629 # correct SSSR count
201: ok 9630 # ring membership passed
201: ok 9631 # correct SSSR count
201: ok 9632 # ring membership passed
201: ok 9633 # correct SSSR count
201: ok 9634 # ring membership passed
201: ok 9635 # correct SSSR count
201: ok 9636 # ring membership passed
201: ok 9637 # correct SSSR count
201: ok 9638 # ring membership passed
201: ok 9639 # correct SSSR count
201: ok 9640 # ring membership passed
201: ok 9641 # correct SSSR count
201: ok 9642 # ring membership passed
201: ok 9643 # correct SSSR count
201: ok 9644 # ring membership passed
201: ok 9645 # correct SSSR count
201: ok 9646 # ring membership passed
201: ok 9647 # correct SSSR count
201: ok 9648 # ring membership passed
201: ok 9649 # correct SSSR count
201: ok 9650 # ring membership passed
201: ok 9651 # correct SSSR count
201: ok 9652 # ring membership passed
201: ok 9653 # correct ring bond data
201: ok 9654 # correct ring bond data
201: ok 9655 # correct ring bond data
201: ok 9656 # correct ring bond data
201: ok 9657 # correct ring bond data
201: ok 9658 # correct ring bond data
201: ok 9659 # correct ring bond data
201: ok 9660 # correct ring bond data
201: ok 9661 # correct ring bond data
201: ok 9662 # correct ring bond data
201: ok 9663 # correct ring bond data
201: ok 9664 # correct ring bond data
201: ok 9665 # correct ring bond data
201: ok 9666 # correct ring bond data
201: ok 9667 # correct ring bond data
201: ok 9668 # correct ring bond data
201: ok 9669 # correct ring bond data
201: ok 9670 # correct ring bond data
201: ok 9671 # correct ring bond data
201: ok 9672 # correct ring bond data
201: ok 9673 # correct ring bond data
201: ok 9674 # correct ring bond data
201: ok 9675 # correct ring bond data
201: ok 9676 # correct ring bond data
201: ok 9677 # correct ring bond data
201: ok 9678 # correct ring bond data
201: ok 9679 # correct ring bond data
201: ok 9680 # correct ring bond data
201: ok 9681 # correct ring bond data
201: ok 9682 # SSSR size matches reference
201: ok 9683 # correct SSSR count
201: ok 9684 # ring membership passed
201: ok 9685 # correct SSSR count
201: ok 9686 # ring membership passed
201: ok 9687 # correct SSSR count
201: ok 9688 # ring membership passed
201: ok 9689 # correct SSSR count
201: ok 9690 # ring membership passed
201: ok 9691 # correct SSSR count
201: ok 9692 # ring membership passed
201: ok 9693 # correct SSSR count
201: ok 9694 # ring membership passed
201: ok 9695 # correct SSSR count
201: ok 9696 # ring membership passed
201: ok 9697 # correct SSSR count
201: ok 9698 # ring membership passed
201: ok 9699 # correct SSSR count
201: ok 9700 # ring membership passed
201: ok 9701 # correct SSSR count
201: ok 9702 # ring membership passed
201: ok 9703 # correct SSSR count
201: ok 9704 # ring membership passed
201: ok 9705 # correct SSSR count
201: ok 9706 # ring membership passed
201: ok 9707 # correct SSSR count
201: ok 9708 # ring membership passed
201: ok 9709 # correct SSSR count
201: ok 9710 # ring membership passed
201: ok 9711 # correct SSSR count
201: ok 9712 # ring membership passed
201: ok 9713 # correct SSSR count
201: ok 9714 # ring membership passed
201: ok 9715 # correct SSSR count
201: ok 9716 # ring membership passed
201: ok 9717 # correct SSSR count
201: ok 9718 # ring membership passed
201: ok 9719 # correct SSSR count
201: ok 9720 # ring membership passed
201: ok 9721 # correct SSSR count
201: ok 9722 # ring membership passed
201: ok 9723 # correct SSSR count
201: ok 9724 # ring membership passed
201: ok 9725 # correct SSSR count
201: ok 9726 # ring membership passed
201: ok 9727 # correct SSSR count
201: ok 9728 # ring membership passed
201: ok 9729 # correct SSSR count
201: ok 9730 # ring membership passed
201: ok 9731 # correct SSSR count
201: ok 9732 # ring membership passed
201: ok 9733 # correct SSSR count
201: ok 9734 # ring membership passed
201: ok 9735 # correct SSSR count
201: ok 9736 # ring membership passed
201: ok 9737 # correct ring bond data
201: ok 9738 # correct ring bond data
201: ok 9739 # correct ring bond data
201: ok 9740 # correct ring bond data
201: ok 9741 # correct ring bond data
201: ok 9742 # correct ring bond data
201: ok 9743 # correct ring bond data
201: ok 9744 # correct ring bond data
201: ok 9745 # correct ring bond data
201: ok 9746 # correct ring bond data
201: ok 9747 # correct ring bond data
201: ok 9748 # correct ring bond data
201: ok 9749 # correct ring bond data
201: ok 9750 # correct ring bond data
201: ok 9751 # correct ring bond data
201: ok 9752 # correct ring bond data
201: ok 9753 # correct ring bond data
201: ok 9754 # correct ring bond data
201: ok 9755 # correct ring bond data
201: ok 9756 # correct ring bond data
201: ok 9757 # correct ring bond data
201: ok 9758 # correct ring bond data
201: ok 9759 # correct ring bond data
201: ok 9760 # correct ring bond data
201: ok 9761 # correct ring bond data
201: ok 9762 # correct ring bond data
201: ok 9763 # correct ring bond data
201: ok 9764 # correct ring bond data
201: ok 9765 # correct ring bond data
201: ok 9766 # SSSR size matches reference
201: ok 9767 # correct SSSR count
201: ok 9768 # ring membership passed
201: ok 9769 # correct SSSR count
201: ok 9770 # ring membership passed
201: ok 9771 # correct SSSR count
201: ok 9772 # ring membership passed
201: ok 9773 # correct SSSR count
201: ok 9774 # ring membership passed
201: ok 9775 # correct SSSR count
201: ok 9776 # ring membership passed
201: ok 9777 # correct SSSR count
201: ok 9778 # ring membership passed
201: ok 9779 # correct SSSR count
201: ok 9780 # ring membership passed
201: ok 9781 # correct SSSR count
201: ok 9782 # ring membership passed
201: ok 9783 # correct SSSR count
201: ok 9784 # ring membership passed
201: ok 9785 # correct SSSR count
201: ok 9786 # ring membership passed
201: ok 9787 # correct SSSR count
201: ok 9788 # ring membership passed
201: ok 9789 # correct SSSR count
201: ok 9790 # ring membership passed
201: ok 9791 # correct SSSR count
201: ok 9792 # ring membership passed
201: ok 9793 # correct SSSR count
201: ok 9794 # ring membership passed
201: ok 9795 # correct SSSR count
201: ok 9796 # ring membership passed
201: ok 9797 # correct SSSR count
201: ok 9798 # ring membership passed
201: ok 9799 # correct SSSR count
201: ok 9800 # ring membership passed
201: ok 9801 # correct SSSR count
201: ok 9802 # ring membership passed
201: ok 9803 # correct SSSR count
201: ok 9804 # ring membership passed
201: ok 9805 # correct SSSR count
201: ok 9806 # ring membership passed
201: ok 9807 # correct SSSR count
201: ok 9808 # ring membership passed
201: ok 9809 # correct SSSR count
201: ok 9810 # ring membership passed
201: ok 9811 # correct SSSR count
201: ok 9812 # ring membership passed
201: ok 9813 # correct SSSR count
201: ok 9814 # ring membership passed
201: ok 9815 # correct SSSR count
201: ok 9816 # ring membership passed
201: ok 9817 # correct SSSR count
201: ok 9818 # ring membership passed
201: ok 9819 # correct SSSR count
201: ok 9820 # ring membership passed
201: ok 9821 # correct ring bond data
201: ok 9822 # correct ring bond data
201: ok 9823 # correct ring bond data
201: ok 9824 # correct ring bond data
201: ok 9825 # correct ring bond data
201: ok 9826 # correct ring bond data
201: ok 9827 # correct ring bond data
201: ok 9828 # correct ring bond data
201: ok 9829 # correct ring bond data
201: ok 9830 # correct ring bond data
201: ok 9831 # correct ring bond data
201: ok 9832 # correct ring bond data
201: ok 9833 # correct ring bond data
201: ok 9834 # correct ring bond data
201: ok 9835 # correct ring bond data
201: ok 9836 # correct ring bond data
201: ok 9837 # correct ring bond data
201: ok 9838 # SSSR size matches reference
201: ok 9839 # correct SSSR count
201: ok 9840 # ring membership passed
201: ok 9841 # correct SSSR count
201: ok 9842 # ring membership passed
201: ok 9843 # correct SSSR count
201: ok 9844 # ring membership passed
201: ok 9845 # correct SSSR count
201: ok 9846 # ring membership passed
201: ok 9847 # correct SSSR count
201: ok 9848 # ring membership passed
201: ok 9849 # correct SSSR count
201: ok 9850 # ring membership passed
201: ok 9851 # correct SSSR count
201: ok 9852 # ring membership passed
201: ok 9853 # correct SSSR count
201: ok 9854 # ring membership passed
201: ok 9855 # correct SSSR count
201: ok 9856 # ring membership passed
201: ok 9857 # correct SSSR count
201: ok 9858 # ring membership passed
201: ok 9859 # correct SSSR count
201: ok 9860 # ring membership passed
201: ok 9861 # correct SSSR count
201: ok 9862 # ring membership passed
201: ok 9863 # correct SSSR count
201: ok 9864 # ring membership passed
201: ok 9865 # correct SSSR count
201: ok 9866 # ring membership passed
201: ok 9867 # correct SSSR count
201: ok 9868 # ring membership passed
201: ok 9869 # correct SSSR count
201: ok 9870 # ring membership passed
201: ok 9871 # correct ring bond data
201: ok 9872 # correct ring bond data
201: ok 9873 # correct ring bond data
201: ok 9874 # correct ring bond data
201: ok 9875 # correct ring bond data
201: ok 9876 # correct ring bond data
201: ok 9877 # correct ring bond data
201: ok 9878 # correct ring bond data
201: ok 9879 # correct ring bond data
201: ok 9880 # correct ring bond data
201: ok 9881 # correct ring bond data
201: ok 9882 # correct ring bond data
201: ok 9883 # correct ring bond data
201: ok 9884 # correct ring bond data
201: ok 9885 # correct ring bond data
201: ok 9886 # correct ring bond data
201: ok 9887 # correct ring bond data
201: ok 9888 # correct ring bond data
201: ok 9889 # SSSR size matches reference
201: ok 9890 # correct SSSR count
201: ok 9891 # ring membership passed
201: ok 9892 # correct SSSR count
201: ok 9893 # ring membership passed
201: ok 9894 # correct SSSR count
201: ok 9895 # ring membership passed
201: ok 9896 # correct SSSR count
201: ok 9897 # ring membership passed
201: ok 9898 # correct SSSR count
201: ok 9899 # ring membership passed
201: ok 9900 # correct SSSR count
201: ok 9901 # ring membership passed
201: ok 9902 # correct SSSR count
201: ok 9903 # ring membership passed
201: ok 9904 # correct SSSR count
201: ok 9905 # ring membership passed
201: ok 9906 # correct SSSR count
201: ok 9907 # ring membership passed
201: ok 9908 # correct SSSR count
201: ok 9909 # ring membership passed
201: ok 9910 # correct SSSR count
201: ok 9911 # ring membership passed
201: ok 9912 # correct SSSR count
201: ok 9913 # ring membership passed
201: ok 9914 # correct SSSR count
201: ok 9915 # ring membership passed
201: ok 9916 # correct SSSR count
201: ok 9917 # ring membership passed
201: ok 9918 # correct SSSR count
201: ok 9919 # ring membership passed
201: ok 9920 # correct SSSR count
201: ok 9921 # ring membership passed
201: ok 9922 # correct SSSR count
201: ok 9923 # ring membership passed
201: ok 9924 # correct SSSR count
201: ok 9925 # ring membership passed
201: ok 9926 # correct ring bond data
201: ok 9927 # correct ring bond data
201: ok 9928 # correct ring bond data
201: ok 9929 # correct ring bond data
201: ok 9930 # correct ring bond data
201: ok 9931 # correct ring bond data
201: ok 9932 # correct ring bond data
201: ok 9933 # correct ring bond data
201: ok 9934 # correct ring bond data
201: ok 9935 # correct ring bond data
201: ok 9936 # correct ring bond data
201: ok 9937 # correct ring bond data
201: ok 9938 # correct ring bond data
201: ok 9939 # correct ring bond data
201: ok 9940 # correct ring bond data
201: ok 9941 # correct ring bond data
201: ok 9942 # correct ring bond data
201: ok 9943 # correct ring bond data
201: ok 9944 # SSSR size matches reference
201: ok 9945 # correct SSSR count
201: ok 9946 # ring membership passed
201: ok 9947 # correct SSSR count
201: ok 9948 # ring membership passed
201: ok 9949 # correct SSSR count
201: ok 9950 # ring membership passed
201: ok 9951 # correct SSSR count
201: ok 9952 # ring membership passed
201: ok 9953 # correct SSSR count
201: ok 9954 # ring membership passed
201: ok 9955 # correct SSSR count
201: ok 9956 # ring membership passed
201: ok 9957 # correct SSSR count
201: ok 9958 # ring membership passed
201: ok 9959 # correct SSSR count
201: ok 9960 # ring membership passed
201: ok 9961 # correct SSSR count
201: ok 9962 # ring membership passed
201: ok 9963 # correct SSSR count
201: ok 9964 # ring membership passed
201: ok 9965 # correct SSSR count
201: ok 9966 # ring membership passed
201: ok 9967 # correct SSSR count
201: ok 9968 # ring membership passed
201: ok 9969 # correct SSSR count
201: ok 9970 # ring membership passed
201: ok 9971 # correct SSSR count
201: ok 9972 # ring membership passed
201: ok 9973 # correct SSSR count
201: ok 9974 # ring membership passed
201: ok 9975 # correct SSSR count
201: ok 9976 # ring membership passed
201: ok 9977 # correct SSSR count
201: ok 9978 # ring membership passed
201: ok 9979 # correct SSSR count
201: ok 9980 # ring membership passed
201: ok 9981 # correct ring bond data
201: ok 9982 # correct ring bond data
201: ok 9983 # correct ring bond data
201: ok 9984 # correct ring bond data
201: ok 9985 # correct ring bond data
201: ok 9986 # correct ring bond data
201: ok 9987 # correct ring bond data
201: ok 9988 # correct ring bond data
201: ok 9989 # correct ring bond data
201: ok 9990 # correct ring bond data
201: ok 9991 # correct ring bond data
201: ok 9992 # correct ring bond data
201: ok 9993 # correct ring bond data
201: ok 9994 # correct ring bond data
201: ok 9995 # correct ring bond data
201: ok 9996 # correct ring bond data
201: ok 9997 # correct ring bond data
201: ok 9998 # correct ring bond data
201: ok 9999 # SSSR size matches reference
201: ok 10000 # correct SSSR count
201: ok 10001 # ring membership passed
201: ok 10002 # correct SSSR count
201: ok 10003 # ring membership passed
201: ok 10004 # correct SSSR count
201: ok 10005 # ring membership passed
201: ok 10006 # correct SSSR count
201: ok 10007 # ring membership passed
201: ok 10008 # correct SSSR count
201: ok 10009 # ring membership passed
201: ok 10010 # correct SSSR count
201: ok 10011 # ring membership passed
201: ok 10012 # correct SSSR count
201: ok 10013 # ring membership passed
201: ok 10014 # correct SSSR count
201: ok 10015 # ring membership passed
201: ok 10016 # correct SSSR count
201: ok 10017 # ring membership passed
201: ok 10018 # correct SSSR count
201: ok 10019 # ring membership passed
201: ok 10020 # correct SSSR count
201: ok 10021 # ring membership passed
201: ok 10022 # correct SSSR count
201: ok 10023 # ring membership passed
201: ok 10024 # correct SSSR count
201: ok 10025 # ring membership passed
201: ok 10026 # correct SSSR count
201: ok 10027 # ring membership passed
201: ok 10028 # correct SSSR count
201: ok 10029 # ring membership passed
201: ok 10030 # correct SSSR count
201: ok 10031 # ring membership passed
201: ok 10032 # correct SSSR count
201: ok 10033 # ring membership passed
201: ok 10034 # correct SSSR count
201: ok 10035 # ring membership passed
201: ok 10036 # correct ring bond data
201: ok 10037 # correct ring bond data
201: ok 10038 # correct ring bond data
201: ok 10039 # correct ring bond data
201: ok 10040 # correct ring bond data
201: ok 10041 # correct ring bond data
201: ok 10042 # correct ring bond data
201: ok 10043 # correct ring bond data
201: ok 10044 # correct ring bond data
201: ok 10045 # correct ring bond data
201: ok 10046 # correct ring bond data
201: ok 10047 # correct ring bond data
201: ok 10048 # correct ring bond data
201: ok 10049 # correct ring bond data
201: ok 10050 # correct ring bond data
201: ok 10051 # correct ring bond data
201: ok 10052 # correct ring bond data
201: ok 10053 # correct ring bond data
201: ok 10054 # correct ring bond data
201: ok 10055 # correct ring bond data
201: ok 10056 # correct ring bond data
201: ok 10057 # correct ring bond data
201: ok 10058 # correct ring bond data
201: ok 10059 # correct ring bond data
201: ok 10060 # correct ring bond data
201: ok 10061 # correct ring bond data
201: ok 10062 # correct ring bond data
201: ok 10063 # correct ring bond data
201: ok 10064 # correct ring bond data
201: ok 10065 # correct ring bond data
201: ok 10066 # correct ring bond data
201: ok 10067 # SSSR size matches reference
201: ok 10068 # correct SSSR count
201: ok 10069 # ring membership passed
201: ok 10070 # correct SSSR count
201: ok 10071 # ring membership passed
201: ok 10072 # correct SSSR count
201: ok 10073 # ring membership passed
201: ok 10074 # correct SSSR count
201: ok 10075 # ring membership passed
201: ok 10076 # correct SSSR count
201: ok 10077 # ring membership passed
201: ok 10078 # correct SSSR count
201: ok 10079 # ring membership passed
201: ok 10080 # correct SSSR count
201: ok 10081 # ring membership passed
201: ok 10082 # correct SSSR count
201: ok 10083 # ring membership passed
201: ok 10084 # correct SSSR count
201: ok 10085 # ring membership passed
201: ok 10086 # correct SSSR count
201: ok 10087 # ring membership passed
201: ok 10088 # correct SSSR count
201: ok 10089 # ring membership passed
201: ok 10090 # correct SSSR count
201: ok 10091 # ring membership passed
201: ok 10092 # correct SSSR count
201: ok 10093 # ring membership passed
201: ok 10094 # correct SSSR count
201: ok 10095 # ring membership passed
201: ok 10096 # correct SSSR count
201: ok 10097 # ring membership passed
201: ok 10098 # correct SSSR count
201: ok 10099 # ring membership passed
201: ok 10100 # correct SSSR count
201: ok 10101 # ring membership passed
201: ok 10102 # correct SSSR count
201: ok 10103 # ring membership passed
201: ok 10104 # correct SSSR count
201: ok 10105 # ring membership passed
201: ok 10106 # correct SSSR count
201: ok 10107 # ring membership passed
201: ok 10108 # correct SSSR count
201: ok 10109 # ring membership passed
201: ok 10110 # correct SSSR count
201: ok 10111 # ring membership passed
201: ok 10112 # correct SSSR count
201: ok 10113 # ring membership passed
201: ok 10114 # correct SSSR count
201: ok 10115 # ring membership passed
201: ok 10116 # correct SSSR count
201: ok 10117 # ring membership passed
201: ok 10118 # correct SSSR count
201: ok 10119 # ring membership passed
201: ok 10120 # correct SSSR count
201: ok 10121 # ring membership passed
201: ok 10122 # correct SSSR count
201: ok 10123 # ring membership passed
201: ok 10124 # correct ring bond data
201: ok 10125 # correct ring bond data
201: ok 10126 # correct ring bond data
201: ok 10127 # correct ring bond data
201: ok 10128 # correct ring bond data
201: ok 10129 # correct ring bond data
201: ok 10130 # correct ring bond data
201: ok 10131 # correct ring bond data
201: ok 10132 # correct ring bond data
201: ok 10133 # correct ring bond data
201: ok 10134 # SSSR size matches reference
201: ok 10135 # correct SSSR count
201: ok 10136 # ring membership passed
201: ok 10137 # correct SSSR count
201: ok 10138 # ring membership passed
201: ok 10139 # correct SSSR count
201: ok 10140 # ring membership passed
201: ok 10141 # correct SSSR count
201: ok 10142 # ring membership passed
201: ok 10143 # correct SSSR count
201: ok 10144 # ring membership passed
201: ok 10145 # correct SSSR count
201: ok 10146 # ring membership passed
201: ok 10147 # correct SSSR count
201: ok 10148 # ring membership passed
201: ok 10149 # correct SSSR count
201: ok 10150 # ring membership passed
201: ok 10151 # correct SSSR count
201: ok 10152 # ring membership passed
201: ok 10153 # correct SSSR count
201: ok 10154 # ring membership passed
201: ok 10155 # correct ring bond data
201: ok 10156 # correct ring bond data
201: ok 10157 # correct ring bond data
201: ok 10158 # correct ring bond data
201: ok 10159 # correct ring bond data
201: ok 10160 # correct ring bond data
201: ok 10161 # correct ring bond data
201: ok 10162 # correct ring bond data
201: ok 10163 # correct ring bond data
201: ok 10164 # correct ring bond data
201: ok 10165 # correct ring bond data
201: ok 10166 # correct ring bond data
201: ok 10167 # correct ring bond data
201: ok 10168 # correct ring bond data
201: ok 10169 # correct ring bond data
201: ok 10170 # correct ring bond data
201: ok 10171 # correct ring bond data
201: ok 10172 # correct ring bond data
201: ok 10173 # correct ring bond data
201: ok 10174 # correct ring bond data
201: ok 10175 # SSSR size matches reference
201: ok 10176 # correct SSSR count
201: ok 10177 # ring membership passed
201: ok 10178 # correct SSSR count
201: ok 10179 # ring membership passed
201: ok 10180 # correct SSSR count
201: ok 10181 # ring membership passed
201: ok 10182 # correct SSSR count
201: ok 10183 # ring membership passed
201: ok 10184 # correct SSSR count
201: ok 10185 # ring membership passed
201: ok 10186 # correct SSSR count
201: ok 10187 # ring membership passed
201: ok 10188 # correct SSSR count
201: ok 10189 # ring membership passed
201: ok 10190 # correct SSSR count
201: ok 10191 # ring membership passed
201: ok 10192 # correct SSSR count
201: ok 10193 # ring membership passed
201: ok 10194 # correct SSSR count
201: ok 10195 # ring membership passed
201: ok 10196 # correct SSSR count
201: ok 10197 # ring membership passed
201: ok 10198 # correct SSSR count
201: ok 10199 # ring membership passed
201: ok 10200 # correct SSSR count
201: ok 10201 # ring membership passed
201: ok 10202 # correct SSSR count
201: ok 10203 # ring membership passed
201: ok 10204 # correct SSSR count
201: ok 10205 # ring membership passed
201: ok 10206 # correct SSSR count
201: ok 10207 # ring membership passed
201: ok 10208 # correct SSSR count
201: ok 10209 # ring membership passed
201: ok 10210 # correct SSSR count
201: ok 10211 # ring membership passed
201: ok 10212 # correct SSSR count
201: ok 10213 # ring membership passed
201: ok 10214 # correct SSSR count
201: ok 10215 # ring membership passed
201: ok 10216 # correct ring bond data
201: ok 10217 # correct ring bond data
201: ok 10218 # correct ring bond data
201: ok 10219 # correct ring bond data
201: ok 10220 # correct ring bond data
201: ok 10221 # correct ring bond data
201: ok 10222 # correct ring bond data
201: ok 10223 # correct ring bond data
201: ok 10224 # correct ring bond data
201: ok 10225 # correct ring bond data
201: ok 10226 # correct ring bond data
201: ok 10227 # correct ring bond data
201: ok 10228 # correct ring bond data
201: ok 10229 # correct ring bond data
201: ok 10230 # correct ring bond data
201: ok 10231 # correct ring bond data
201: ok 10232 # correct ring bond data
201: ok 10233 # correct ring bond data
201: ok 10234 # correct ring bond data
201: ok 10235 # correct ring bond data
201: ok 10236 # correct ring bond data
201: ok 10237 # correct ring bond data
201: ok 10238 # correct ring bond data
201: ok 10239 # correct ring bond data
201: ok 10240 # correct ring bond data
201: ok 10241 # correct ring bond data
201: ok 10242 # correct ring bond data
201: ok 10243 # correct ring bond data
201: ok 10244 # correct ring bond data
201: ok 10245 # SSSR size matches reference
201: ok 10246 # correct SSSR count
201: ok 10247 # ring membership passed
201: ok 10248 # correct SSSR count
201: ok 10249 # ring membership passed
201: ok 10250 # correct SSSR count
201: ok 10251 # ring membership passed
201: ok 10252 # correct SSSR count
201: ok 10253 # ring membership passed
201: ok 10254 # correct SSSR count
201: ok 10255 # ring membership passed
201: ok 10256 # correct SSSR count
201: ok 10257 # ring membership passed
201: ok 10258 # correct SSSR count
201: ok 10259 # ring membership passed
201: ok 10260 # correct SSSR count
201: ok 10261 # ring membership passed
201: ok 10262 # correct SSSR count
201: ok 10263 # ring membership passed
201: ok 10264 # correct SSSR count
201: ok 10265 # ring membership passed
201: ok 10266 # correct SSSR count
201: ok 10267 # ring membership passed
201: ok 10268 # correct SSSR count
201: ok 10269 # ring membership passed
201: ok 10270 # correct SSSR count
201: ok 10271 # ring membership passed
201: ok 10272 # correct SSSR count
201: ok 10273 # ring membership passed
201: ok 10274 # correct SSSR count
201: ok 10275 # ring membership passed
201: ok 10276 # correct SSSR count
201: ok 10277 # ring membership passed
201: ok 10278 # correct SSSR count
201: ok 10279 # ring membership passed
201: ok 10280 # correct SSSR count
201: ok 10281 # ring membership passed
201: ok 10282 # correct SSSR count
201: ok 10283 # ring membership passed
201: ok 10284 # correct SSSR count
201: ok 10285 # ring membership passed
201: ok 10286 # correct SSSR count
201: ok 10287 # ring membership passed
201: ok 10288 # correct SSSR count
201: ok 10289 # ring membership passed
201: ok 10290 # correct SSSR count
201: ok 10291 # ring membership passed
201: ok 10292 # correct SSSR count
201: ok 10293 # ring membership passed
201: ok 10294 # correct SSSR count
201: ok 10295 # ring membership passed
201: ok 10296 # correct SSSR count
201: ok 10297 # ring membership passed
201: ok 10298 # correct ring bond data
201: ok 10299 # correct ring bond data
201: ok 10300 # correct ring bond data
201: ok 10301 # correct ring bond data
201: ok 10302 # correct ring bond data
201: ok 10303 # correct ring bond data
201: ok 10304 # correct ring bond data
201: ok 10305 # correct ring bond data
201: ok 10306 # correct ring bond data
201: ok 10307 # correct ring bond data
201: ok 10308 # correct ring bond data
201: ok 10309 # correct ring bond data
201: ok 10310 # correct ring bond data
201: ok 10311 # correct ring bond data
201: ok 10312 # correct ring bond data
201: ok 10313 # correct ring bond data
201: ok 10314 # SSSR size matches reference
201: ok 10315 # correct SSSR count
201: ok 10316 # ring membership passed
201: ok 10317 # correct SSSR count
201: ok 10318 # ring membership passed
201: ok 10319 # correct SSSR count
201: ok 10320 # ring membership passed
201: ok 10321 # correct SSSR count
201: ok 10322 # ring membership passed
201: ok 10323 # correct SSSR count
201: ok 10324 # ring membership passed
201: ok 10325 # correct SSSR count
201: ok 10326 # ring membership passed
201: ok 10327 # correct SSSR count
201: ok 10328 # ring membership passed
201: ok 10329 # correct SSSR count
201: ok 10330 # ring membership passed
201: ok 10331 # correct SSSR count
201: ok 10332 # ring membership passed
201: ok 10333 # correct SSSR count
201: ok 10334 # ring membership passed
201: ok 10335 # correct SSSR count
201: ok 10336 # ring membership passed
201: ok 10337 # correct SSSR count
201: ok 10338 # ring membership passed
201: ok 10339 # correct SSSR count
201: ok 10340 # ring membership passed
201: ok 10341 # correct SSSR count
201: ok 10342 # ring membership passed
201: ok 10343 # correct SSSR count
201: ok 10344 # ring membership passed
201: ok 10345 # correct ring bond data
201: ok 10346 # correct ring bond data
201: ok 10347 # correct ring bond data
201: ok 10348 # correct ring bond data
201: ok 10349 # correct ring bond data
201: ok 10350 # correct ring bond data
201: ok 10351 # correct ring bond data
201: ok 10352 # correct ring bond data
201: ok 10353 # correct ring bond data
201: ok 10354 # correct ring bond data
201: ok 10355 # correct ring bond data
201: ok 10356 # correct ring bond data
201: ok 10357 # correct ring bond data
201: ok 10358 # correct ring bond data
201: ok 10359 # correct ring bond data
201: ok 10360 # correct ring bond data
201: ok 10361 # correct ring bond data
201: ok 10362 # correct ring bond data
201: ok 10363 # correct ring bond data
201: ok 10364 # correct ring bond data
201: ok 10365 # correct ring bond data
201: ok 10366 # SSSR size matches reference
201: ok 10367 # correct SSSR count
201: ok 10368 # ring membership passed
201: ok 10369 # correct SSSR count
201: ok 10370 # ring membership passed
201: ok 10371 # correct SSSR count
201: ok 10372 # ring membership passed
201: ok 10373 # correct SSSR count
201: ok 10374 # ring membership passed
201: ok 10375 # correct SSSR count
201: ok 10376 # ring membership passed
201: ok 10377 # correct SSSR count
201: ok 10378 # ring membership passed
201: ok 10379 # correct SSSR count
201: ok 10380 # ring membership passed
201: ok 10381 # correct SSSR count
201: ok 10382 # ring membership passed
201: ok 10383 # correct SSSR count
201: ok 10384 # ring membership passed
201: ok 10385 # correct SSSR count
201: ok 10386 # ring membership passed
201: ok 10387 # correct SSSR count
201: ok 10388 # ring membership passed
201: ok 10389 # correct SSSR count
201: ok 10390 # ring membership passed
201: ok 10391 # correct SSSR count
201: ok 10392 # ring membership passed
201: ok 10393 # correct SSSR count
201: ok 10394 # ring membership passed
201: ok 10395 # correct SSSR count
201: ok 10396 # ring membership passed
201: ok 10397 # correct SSSR count
201: ok 10398 # ring membership passed
201: ok 10399 # correct SSSR count
201: ok 10400 # ring membership passed
201: ok 10401 # correct SSSR count
201: ok 10402 # ring membership passed
201: ok 10403 # correct SSSR count
201: ok 10404 # ring membership passed
201: ok 10405 # correct SSSR count
201: ok 10406 # ring membership passed
201: ok 10407 # correct ring bond data
201: ok 10408 # correct ring bond data
201: ok 10409 # correct ring bond data
201: ok 10410 # correct ring bond data
201: ok 10411 # correct ring bond data
201: ok 10412 # correct ring bond data
201: ok 10413 # correct ring bond data
201: ok 10414 # correct ring bond data
201: ok 10415 # correct ring bond data
201: ok 10416 # correct ring bond data
201: ok 10417 # correct ring bond data
201: ok 10418 # correct ring bond data
201: ok 10419 # correct ring bond data
201: ok 10420 # correct ring bond data
201: ok 10421 # correct ring bond data
201: ok 10422 # correct ring bond data
201: ok 10423 # correct ring bond data
201: ok 10424 # correct ring bond data
201: ok 10425 # correct ring bond data
201: ok 10426 # correct ring bond data
201: ok 10427 # correct ring bond data
201: ok 10428 # correct ring bond data
201: ok 10429 # correct ring bond data
201: ok 10430 # correct ring bond data
201: ok 10431 # correct ring bond data
201: ok 10432 # correct ring bond data
201: ok 10433 # correct ring bond data
201: ok 10434 # correct ring bond data
201: ok 10435 # SSSR size matches reference
201: ok 10436 # correct SSSR count
201: ok 10437 # ring membership passed
201: ok 10438 # correct SSSR count
201: ok 10439 # ring membership passed
201: ok 10440 # correct SSSR count
201: ok 10441 # ring membership passed
201: ok 10442 # correct SSSR count
201: ok 10443 # ring membership passed
201: ok 10444 # correct SSSR count
201: ok 10445 # ring membership passed
201: ok 10446 # correct SSSR count
201: ok 10447 # ring membership passed
201: ok 10448 # correct SSSR count
201: ok 10449 # ring membership passed
201: ok 10450 # correct SSSR count
201: ok 10451 # ring membership passed
201: ok 10452 # correct SSSR count
201: ok 10453 # ring membership passed
201: ok 10454 # correct SSSR count
201: ok 10455 # ring membership passed
201: ok 10456 # correct SSSR count
201: ok 10457 # ring membership passed
201: ok 10458 # correct SSSR count
201: ok 10459 # ring membership passed
201: ok 10460 # correct SSSR count
201: ok 10461 # ring membership passed
201: ok 10462 # correct SSSR count
201: ok 10463 # ring membership passed
201: ok 10464 # correct SSSR count
201: ok 10465 # ring membership passed
201: ok 10466 # correct SSSR count
201: ok 10467 # ring membership passed
201: ok 10468 # correct SSSR count
201: ok 10469 # ring membership passed
201: ok 10470 # correct SSSR count
201: ok 10471 # ring membership passed
201: ok 10472 # correct SSSR count
201: ok 10473 # ring membership passed
201: ok 10474 # correct SSSR count
201: ok 10475 # ring membership passed
201: ok 10476 # correct SSSR count
201: ok 10477 # ring membership passed
201: ok 10478 # correct SSSR count
201: ok 10479 # ring membership passed
201: ok 10480 # correct SSSR count
201: ok 10481 # ring membership passed
201: ok 10482 # correct SSSR count
201: ok 10483 # ring membership passed
201: ok 10484 # correct SSSR count
201: ok 10485 # ring membership passed
201: ok 10486 # correct SSSR count
201: ok 10487 # ring membership passed
201: ok 10488 # correct SSSR count
201: ok 10489 # ring membership passed
201: ok 10490 # correct ring bond data
201: ok 10491 # correct ring bond data
201: ok 10492 # correct ring bond data
201: ok 10493 # correct ring bond data
201: ok 10494 # correct ring bond data
201: ok 10495 # correct ring bond data
201: ok 10496 # correct ring bond data
201: ok 10497 # correct ring bond data
201: ok 10498 # correct ring bond data
201: ok 10499 # correct ring bond data
201: ok 10500 # correct ring bond data
201: ok 10501 # correct ring bond data
201: ok 10502 # correct ring bond data
201: ok 10503 # correct ring bond data
201: ok 10504 # correct ring bond data
201: ok 10505 # correct ring bond data
201: ok 10506 # correct ring bond data
201: ok 10507 # correct ring bond data
201: ok 10508 # correct ring bond data
201: ok 10509 # SSSR size matches reference
201: ok 10510 # correct SSSR count
201: ok 10511 # ring membership passed
201: ok 10512 # correct SSSR count
201: ok 10513 # ring membership passed
201: ok 10514 # correct SSSR count
201: ok 10515 # ring membership passed
201: ok 10516 # correct SSSR count
201: ok 10517 # ring membership passed
201: ok 10518 # correct SSSR count
201: ok 10519 # ring membership passed
201: ok 10520 # correct SSSR count
201: ok 10521 # ring membership passed
201: ok 10522 # correct SSSR count
201: ok 10523 # ring membership passed
201: ok 10524 # correct SSSR count
201: ok 10525 # ring membership passed
201: ok 10526 # correct SSSR count
201: ok 10527 # ring membership passed
201: ok 10528 # correct SSSR count
201: ok 10529 # ring membership passed
201: ok 10530 # correct SSSR count
201: ok 10531 # ring membership passed
201: ok 10532 # correct SSSR count
201: ok 10533 # ring membership passed
201: ok 10534 # correct SSSR count
201: ok 10535 # ring membership passed
201: ok 10536 # correct SSSR count
201: ok 10537 # ring membership passed
201: ok 10538 # correct SSSR count
201: ok 10539 # ring membership passed
201: ok 10540 # correct SSSR count
201: ok 10541 # ring membership passed
201: ok 10542 # correct SSSR count
201: ok 10543 # ring membership passed
201: ok 10544 # correct SSSR count
201: ok 10545 # ring membership passed
201: ok 10546 # correct ring bond data
201: ok 10547 # correct ring bond data
201: ok 10548 # correct ring bond data
201: ok 10549 # correct ring bond data
201: ok 10550 # correct ring bond data
201: ok 10551 # correct ring bond data
201: ok 10552 # correct ring bond data
201: ok 10553 # correct ring bond data
201: ok 10554 # correct ring bond data
201: ok 10555 # correct ring bond data
201: ok 10556 # correct ring bond data
201: ok 10557 # correct ring bond data
201: ok 10558 # correct ring bond data
201: ok 10559 # correct ring bond data
201: ok 10560 # correct ring bond data
201: ok 10561 # correct ring bond data
201: ok 10562 # correct ring bond data
201: ok 10563 # correct ring bond data
201: ok 10564 # correct ring bond data
201: ok 10565 # correct ring bond data
201: ok 10566 # correct ring bond data
201: ok 10567 # correct ring bond data
201: ok 10568 # correct ring bond data
201: ok 10569 # correct ring bond data
201: ok 10570 # correct ring bond data
201: ok 10571 # SSSR size matches reference
201: ok 10572 # correct SSSR count
201: ok 10573 # ring membership passed
201: ok 10574 # correct SSSR count
201: ok 10575 # ring membership passed
201: ok 10576 # correct SSSR count
201: ok 10577 # ring membership passed
201: ok 10578 # correct SSSR count
201: ok 10579 # ring membership passed
201: ok 10580 # correct SSSR count
201: ok 10581 # ring membership passed
201: ok 10582 # correct SSSR count
201: ok 10583 # ring membership passed
201: ok 10584 # correct SSSR count
201: ok 10585 # ring membership passed
201: ok 10586 # correct SSSR count
201: ok 10587 # ring membership passed
201: ok 10588 # correct SSSR count
201: ok 10589 # ring membership passed
201: ok 10590 # correct SSSR count
201: ok 10591 # ring membership passed
201: ok 10592 # correct SSSR count
201: ok 10593 # ring membership passed
201: ok 10594 # correct SSSR count
201: ok 10595 # ring membership passed
201: ok 10596 # correct SSSR count
201: ok 10597 # ring membership passed
201: ok 10598 # correct SSSR count
201: ok 10599 # ring membership passed
201: ok 10600 # correct SSSR count
201: ok 10601 # ring membership passed
201: ok 10602 # correct SSSR count
201: ok 10603 # ring membership passed
201: ok 10604 # correct SSSR count
201: ok 10605 # ring membership passed
201: ok 10606 # correct SSSR count
201: ok 10607 # ring membership passed
201: ok 10608 # correct SSSR count
201: ok 10609 # ring membership passed
201: ok 10610 # correct SSSR count
201: ok 10611 # ring membership passed
201: ok 10612 # correct SSSR count
201: ok 10613 # ring membership passed
201: ok 10614 # correct SSSR count
201: ok 10615 # ring membership passed
201: ok 10616 # correct SSSR count
201: ok 10617 # ring membership passed
201: ok 10618 # correct ring bond data
201: ok 10619 # correct ring bond data
201: ok 10620 # correct ring bond data
201: ok 10621 # correct ring bond data
201: ok 10622 # correct ring bond data
201: ok 10623 # correct ring bond data
201: ok 10624 # correct ring bond data
201: ok 10625 # correct ring bond data
201: ok 10626 # correct ring bond data
201: ok 10627 # correct ring bond data
201: ok 10628 # correct ring bond data
201: ok 10629 # correct ring bond data
201: ok 10630 # correct ring bond data
201: ok 10631 # correct ring bond data
201: ok 10632 # correct ring bond data
201: ok 10633 # correct ring bond data
201: ok 10634 # correct ring bond data
201: ok 10635 # correct ring bond data
201: ok 10636 # correct ring bond data
201: ok 10637 # correct ring bond data
201: ok 10638 # correct ring bond data
201: ok 10639 # correct ring bond data
201: ok 10640 # correct ring bond data
201: ok 10641 # correct ring bond data
201: ok 10642 # SSSR size matches reference
201: ok 10643 # correct SSSR count
201: ok 10644 # ring membership passed
201: ok 10645 # correct SSSR count
201: ok 10646 # ring membership passed
201: ok 10647 # correct SSSR count
201: ok 10648 # ring membership passed
201: ok 10649 # correct SSSR count
201: ok 10650 # ring membership passed
201: ok 10651 # correct SSSR count
201: ok 10652 # ring membership passed
201: ok 10653 # correct SSSR count
201: ok 10654 # ring membership passed
201: ok 10655 # correct SSSR count
201: ok 10656 # ring membership passed
201: ok 10657 # correct SSSR count
201: ok 10658 # ring membership passed
201: ok 10659 # correct SSSR count
201: ok 10660 # ring membership passed
201: ok 10661 # correct SSSR count
201: ok 10662 # ring membership passed
201: ok 10663 # correct SSSR count
201: ok 10664 # ring membership passed
201: ok 10665 # correct SSSR count
201: ok 10666 # ring membership passed
201: ok 10667 # correct SSSR count
201: ok 10668 # ring membership passed
201: ok 10669 # correct SSSR count
201: ok 10670 # ring membership passed
201: ok 10671 # correct SSSR count
201: ok 10672 # ring membership passed
201: ok 10673 # correct SSSR count
201: ok 10674 # ring membership passed
201: ok 10675 # correct SSSR count
201: ok 10676 # ring membership passed
201: ok 10677 # correct SSSR count
201: ok 10678 # ring membership passed
201: ok 10679 # correct SSSR count
201: ok 10680 # ring membership passed
201: ok 10681 # correct SSSR count
201: ok 10682 # ring membership passed
201: ok 10683 # correct SSSR count
201: ok 10684 # ring membership passed
201: ok 10685 # correct SSSR count
201: ok 10686 # ring membership passed
201: ok 10687 # correct ring bond data
201: ok 10688 # correct ring bond data
201: ok 10689 # correct ring bond data
201: ok 10690 # correct ring bond data
201: ok 10691 # correct ring bond data
201: ok 10692 # correct ring bond data
201: ok 10693 # correct ring bond data
201: ok 10694 # correct ring bond data
201: ok 10695 # correct ring bond data
201: ok 10696 # correct ring bond data
201: ok 10697 # correct ring bond data
201: ok 10698 # correct ring bond data
201: ok 10699 # correct ring bond data
201: ok 10700 # correct ring bond data
201: ok 10701 # correct ring bond data
201: ok 10702 # correct ring bond data
201: ok 10703 # correct ring bond data
201: ok 10704 # correct ring bond data
201: ok 10705 # correct ring bond data
201: ok 10706 # SSSR size matches reference
201: ok 10707 # correct SSSR count
201: ok 10708 # ring membership passed
201: ok 10709 # correct SSSR count
201: ok 10710 # ring membership passed
201: ok 10711 # correct SSSR count
201: ok 10712 # ring membership passed
201: ok 10713 # correct SSSR count
201: ok 10714 # ring membership passed
201: ok 10715 # correct SSSR count
201: ok 10716 # ring membership passed
201: ok 10717 # correct SSSR count
201: ok 10718 # ring membership passed
201: ok 10719 # correct SSSR count
201: ok 10720 # ring membership passed
201: ok 10721 # correct SSSR count
201: ok 10722 # ring membership passed
201: ok 10723 # correct SSSR count
201: ok 10724 # ring membership passed
201: ok 10725 # correct SSSR count
201: ok 10726 # ring membership passed
201: ok 10727 # correct SSSR count
201: ok 10728 # ring membership passed
201: ok 10729 # correct SSSR count
201: ok 10730 # ring membership passed
201: ok 10731 # correct SSSR count
201: ok 10732 # ring membership passed
201: ok 10733 # correct SSSR count
201: ok 10734 # ring membership passed
201: ok 10735 # correct SSSR count
201: ok 10736 # ring membership passed
201: ok 10737 # correct SSSR count
201: ok 10738 # ring membership passed
201: ok 10739 # correct SSSR count
201: ok 10740 # ring membership passed
201: ok 10741 # correct SSSR count
201: ok 10742 # ring membership passed
201: ok 10743 # correct SSSR count
201: ok 10744 # ring membership passed
201: ok 10745 # correct ring bond data
201: ok 10746 # correct ring bond data
201: ok 10747 # correct ring bond data
201: ok 10748 # correct ring bond data
201: ok 10749 # correct ring bond data
201: ok 10750 # correct ring bond data
201: ok 10751 # correct ring bond data
201: ok 10752 # correct ring bond data
201: ok 10753 # correct ring bond data
201: ok 10754 # correct ring bond data
201: ok 10755 # correct ring bond data
201: ok 10756 # correct ring bond data
201: ok 10757 # correct ring bond data
201: ok 10758 # correct ring bond data
201: ok 10759 # correct ring bond data
201: ok 10760 # correct ring bond data
201: ok 10761 # SSSR size matches reference
201: ok 10762 # correct SSSR count
201: ok 10763 # ring membership passed
201: ok 10764 # correct SSSR count
201: ok 10765 # ring membership passed
201: ok 10766 # correct SSSR count
201: ok 10767 # ring membership passed
201: ok 10768 # correct SSSR count
201: ok 10769 # ring membership passed
201: ok 10770 # correct SSSR count
201: ok 10771 # ring membership passed
201: ok 10772 # correct SSSR count
201: ok 10773 # ring membership passed
201: ok 10774 # correct SSSR count
201: ok 10775 # ring membership passed
201: ok 10776 # correct SSSR count
201: ok 10777 # ring membership passed
201: ok 10778 # correct SSSR count
201: ok 10779 # ring membership passed
201: ok 10780 # correct SSSR count
201: ok 10781 # ring membership passed
201: ok 10782 # correct SSSR count
201: ok 10783 # ring membership passed
201: ok 10784 # correct SSSR count
201: ok 10785 # ring membership passed
201: ok 10786 # correct SSSR count
201: ok 10787 # ring membership passed
201: ok 10788 # correct SSSR count
201: ok 10789 # ring membership passed
201: ok 10790 # correct SSSR count
201: ok 10791 # ring membership passed
201: ok 10792 # correct ring bond data
201: ok 10793 # correct ring bond data
201: ok 10794 # correct ring bond data
201: ok 10795 # correct ring bond data
201: ok 10796 # correct ring bond data
201: ok 10797 # correct ring bond data
201: ok 10798 # correct ring bond data
201: ok 10799 # correct ring bond data
201: ok 10800 # correct ring bond data
201: ok 10801 # correct ring bond data
201: ok 10802 # correct ring bond data
201: ok 10803 # correct ring bond data
201: ok 10804 # correct ring bond data
201: ok 10805 # correct ring bond data
201: ok 10806 # correct ring bond data
201: ok 10807 # SSSR size matches reference
201: ok 10808 # correct SSSR count
201: ok 10809 # ring membership passed
201: ok 10810 # correct SSSR count
201: ok 10811 # ring membership passed
201: ok 10812 # correct SSSR count
201: ok 10813 # ring membership passed
201: ok 10814 # correct SSSR count
201: ok 10815 # ring membership passed
201: ok 10816 # correct SSSR count
201: ok 10817 # ring membership passed
201: ok 10818 # correct SSSR count
201: ok 10819 # ring membership passed
201: ok 10820 # correct SSSR count
201: ok 10821 # ring membership passed
201: ok 10822 # correct SSSR count
201: ok 10823 # ring membership passed
201: ok 10824 # correct SSSR count
201: ok 10825 # ring membership passed
201: ok 10826 # correct SSSR count
201: ok 10827 # ring membership passed
201: ok 10828 # correct SSSR count
201: ok 10829 # ring membership passed
201: ok 10830 # correct SSSR count
201: ok 10831 # ring membership passed
201: ok 10832 # correct SSSR count
201: ok 10833 # ring membership passed
201: ok 10834 # correct SSSR count
201: ok 10835 # ring membership passed
201: ok 10836 # correct ring bond data
201: ok 10837 # correct ring bond data
201: ok 10838 # correct ring bond data
201: ok 10839 # correct ring bond data
201: ok 10840 # correct ring bond data
201: ok 10841 # correct ring bond data
201: ok 10842 # correct ring bond data
201: ok 10843 # correct ring bond data
201: ok 10844 # correct ring bond data
201: ok 10845 # correct ring bond data
201: ok 10846 # correct ring bond data
201: ok 10847 # correct ring bond data
201: ok 10848 # correct ring bond data
201: ok 10849 # correct ring bond data
201: ok 10850 # correct ring bond data
201: ok 10851 # correct ring bond data
201: ok 10852 # SSSR size matches reference
201: ok 10853 # correct SSSR count
201: ok 10854 # ring membership passed
201: ok 10855 # correct SSSR count
201: ok 10856 # ring membership passed
201: ok 10857 # correct SSSR count
201: ok 10858 # ring membership passed
201: ok 10859 # correct SSSR count
201: ok 10860 # ring membership passed
201: ok 10861 # correct SSSR count
201: ok 10862 # ring membership passed
201: ok 10863 # correct SSSR count
201: ok 10864 # ring membership passed
201: ok 10865 # correct SSSR count
201: ok 10866 # ring membership passed
201: ok 10867 # correct SSSR count
201: ok 10868 # ring membership passed
201: ok 10869 # correct SSSR count
201: ok 10870 # ring membership passed
201: ok 10871 # correct SSSR count
201: ok 10872 # ring membership passed
201: ok 10873 # correct SSSR count
201: ok 10874 # ring membership passed
201: ok 10875 # correct SSSR count
201: ok 10876 # ring membership passed
201: ok 10877 # correct SSSR count
201: ok 10878 # ring membership passed
201: ok 10879 # correct SSSR count
201: ok 10880 # ring membership passed
201: ok 10881 # correct SSSR count
201: ok 10882 # ring membership passed
201: ok 10883 # correct ring bond data
201: ok 10884 # correct ring bond data
201: ok 10885 # correct ring bond data
201: ok 10886 # correct ring bond data
201: ok 10887 # correct ring bond data
201: ok 10888 # correct ring bond data
201: ok 10889 # correct ring bond data
201: ok 10890 # correct ring bond data
201: ok 10891 # correct ring bond data
201: ok 10892 # correct ring bond data
201: ok 10893 # correct ring bond data
201: ok 10894 # correct ring bond data
201: ok 10895 # correct ring bond data
201: ok 10896 # correct ring bond data
201: ok 10897 # correct ring bond data
201: ok 10898 # correct ring bond data
201: ok 10899 # correct ring bond data
201: ok 10900 # correct ring bond data
201: ok 10901 # SSSR size matches reference
201: ok 10902 # correct SSSR count
201: ok 10903 # ring membership passed
201: ok 10904 # correct SSSR count
201: ok 10905 # ring membership passed
201: ok 10906 # correct SSSR count
201: ok 10907 # ring membership passed
201: ok 10908 # correct SSSR count
201: ok 10909 # ring membership passed
201: ok 10910 # correct SSSR count
201: ok 10911 # ring membership passed
201: ok 10912 # correct SSSR count
201: ok 10913 # ring membership passed
201: ok 10914 # correct SSSR count
201: ok 10915 # ring membership passed
201: ok 10916 # correct SSSR count
201: ok 10917 # ring membership passed
201: ok 10918 # correct SSSR count
201: ok 10919 # ring membership passed
201: ok 10920 # correct SSSR count
201: ok 10921 # ring membership passed
201: ok 10922 # correct SSSR count
201: ok 10923 # ring membership passed
201: ok 10924 # correct SSSR count
201: ok 10925 # ring membership passed
201: ok 10926 # correct SSSR count
201: ok 10927 # ring membership passed
201: ok 10928 # correct SSSR count
201: ok 10929 # ring membership passed
201: ok 10930 # correct SSSR count
201: ok 10931 # ring membership passed
201: ok 10932 # correct SSSR count
201: ok 10933 # ring membership passed
201: ok 10934 # correct SSSR count
201: ok 10935 # ring membership passed
201: ok 10936 # correct ring bond data
201: ok 10937 # correct ring bond data
201: ok 10938 # correct ring bond data
201: ok 10939 # correct ring bond data
201: ok 10940 # correct ring bond data
201: ok 10941 # correct ring bond data
201: ok 10942 # correct ring bond data
201: ok 10943 # correct ring bond data
201: ok 10944 # correct ring bond data
201: ok 10945 # correct ring bond data
201: ok 10946 # correct ring bond data
201: ok 10947 # correct ring bond data
201: ok 10948 # correct ring bond data
201: ok 10949 # correct ring bond data
201: ok 10950 # correct ring bond data
201: ok 10951 # correct ring bond data
201: ok 10952 # correct ring bond data
201: ok 10953 # correct ring bond data
201: ok 10954 # correct ring bond data
201: ok 10955 # correct ring bond data
201: ok 10956 # correct ring bond data
201: ok 10957 # correct ring bond data
201: ok 10958 # correct ring bond data
201: ok 10959 # correct ring bond data
201: ok 10960 # correct ring bond data
201: ok 10961 # correct ring bond data
201: ok 10962 # correct ring bond data
201: ok 10963 # correct ring bond data
201: ok 10964 # correct ring bond data
201: ok 10965 # correct ring bond data
201: ok 10966 # correct ring bond data
201: ok 10967 # correct ring bond data
201: ok 10968 # correct ring bond data
201: ok 10969 # correct ring bond data
201: ok 10970 # correct ring bond data
201: ok 10971 # correct ring bond data
201: ok 10972 # correct ring bond data
201: ok 10973 # correct ring bond data
201: ok 10974 # SSSR size matches reference
201: ok 10975 # correct SSSR count
201: ok 10976 # ring membership passed
201: ok 10977 # correct SSSR count
201: ok 10978 # ring membership passed
201: ok 10979 # correct SSSR count
201: ok 10980 # ring membership passed
201: ok 10981 # correct SSSR count
201: ok 10982 # ring membership passed
201: ok 10983 # correct SSSR count
201: ok 10984 # ring membership passed
201: ok 10985 # correct SSSR count
201: ok 10986 # ring membership passed
201: ok 10987 # correct SSSR count
201: ok 10988 # ring membership passed
201: ok 10989 # correct SSSR count
201: ok 10990 # ring membership passed
201: ok 10991 # correct SSSR count
201: ok 10992 # ring membership passed
201: ok 10993 # correct SSSR count
201: ok 10994 # ring membership passed
201: ok 10995 # correct SSSR count
201: ok 10996 # ring membership passed
201: ok 10997 # correct SSSR count
201: ok 10998 # ring membership passed
201: ok 10999 # correct SSSR count
201: ok 11000 # ring membership passed
201: ok 11001 # correct SSSR count
201: ok 11002 # ring membership passed
201: ok 11003 # correct SSSR count
201: ok 11004 # ring membership passed
201: ok 11005 # correct SSSR count
201: ok 11006 # ring membership passed
201: ok 11007 # correct SSSR count
201: ok 11008 # ring membership passed
201: ok 11009 # correct SSSR count
201: ok 11010 # ring membership passed
201: ok 11011 # correct SSSR count
201: ok 11012 # ring membership passed
201: ok 11013 # correct SSSR count
201: ok 11014 # ring membership passed
201: ok 11015 # correct SSSR count
201: ok 11016 # ring membership passed
201: ok 11017 # correct SSSR count
201: ok 11018 # ring membership passed
201: ok 11019 # correct SSSR count
201: ok 11020 # ring membership passed
201: ok 11021 # correct SSSR count
201: ok 11022 # ring membership passed
201: ok 11023 # correct SSSR count
201: ok 11024 # ring membership passed
201: ok 11025 # correct SSSR count
201: ok 11026 # ring membership passed
201: ok 11027 # correct SSSR count
201: ok 11028 # ring membership passed
201: ok 11029 # correct SSSR count
201: ok 11030 # ring membership passed
201: ok 11031 # correct SSSR count
201: ok 11032 # ring membership passed
201: ok 11033 # correct SSSR count
201: ok 11034 # ring membership passed
201: ok 11035 # correct SSSR count
201: ok 11036 # ring membership passed
201: ok 11037 # correct SSSR count
201: ok 11038 # ring membership passed
201: ok 11039 # correct SSSR count
201: ok 11040 # ring membership passed
201: ok 11041 # correct SSSR count
201: ok 11042 # ring membership passed
201: ok 11043 # correct SSSR count
201: ok 11044 # ring membership passed
201: ok 11045 # correct SSSR count
201: ok 11046 # ring membership passed
201: ok 11047 # correct ring bond data
201: ok 11048 # correct ring bond data
201: ok 11049 # correct ring bond data
201: ok 11050 # correct ring bond data
201: ok 11051 # correct ring bond data
201: ok 11052 # correct ring bond data
201: ok 11053 # correct ring bond data
201: ok 11054 # correct ring bond data
201: ok 11055 # correct ring bond data
201: ok 11056 # correct ring bond data
201: ok 11057 # correct ring bond data
201: ok 11058 # correct ring bond data
201: ok 11059 # correct ring bond data
201: ok 11060 # correct ring bond data
201: ok 11061 # correct ring bond data
201: ok 11062 # SSSR size matches reference
201: ok 11063 # correct SSSR count
201: ok 11064 # ring membership passed
201: ok 11065 # correct SSSR count
201: ok 11066 # ring membership passed
201: ok 11067 # correct SSSR count
201: ok 11068 # ring membership passed
201: ok 11069 # correct SSSR count
201: ok 11070 # ring membership passed
201: ok 11071 # correct SSSR count
201: ok 11072 # ring membership passed
201: ok 11073 # correct SSSR count
201: ok 11074 # ring membership passed
201: ok 11075 # correct SSSR count
201: ok 11076 # ring membership passed
201: ok 11077 # correct SSSR count
201: ok 11078 # ring membership passed
201: ok 11079 # correct SSSR count
201: ok 11080 # ring membership passed
201: ok 11081 # correct SSSR count
201: ok 11082 # ring membership passed
201: ok 11083 # correct SSSR count
201: ok 11084 # ring membership passed
201: ok 11085 # correct SSSR count
201: ok 11086 # ring membership passed
201: ok 11087 # correct SSSR count
201: ok 11088 # ring membership passed
201: ok 11089 # correct SSSR count
201: ok 11090 # ring membership passed
201: ok 11091 # correct ring bond data
201: ok 11092 # correct ring bond data
201: ok 11093 # correct ring bond data
201: ok 11094 # correct ring bond data
201: ok 11095 # correct ring bond data
201: ok 11096 # correct ring bond data
201: ok 11097 # correct ring bond data
201: ok 11098 # correct ring bond data
201: ok 11099 # correct ring bond data
201: ok 11100 # correct ring bond data
201: ok 11101 # correct ring bond data
201: ok 11102 # correct ring bond data
201: ok 11103 # correct ring bond data
201: ok 11104 # correct ring bond data
201: ok 11105 # correct ring bond data
201: ok 11106 # correct ring bond data
201: ok 11107 # correct ring bond data
201: ok 11108 # correct ring bond data
201: ok 11109 # correct ring bond data
201: ok 11110 # correct ring bond data
201: ok 11111 # correct ring bond data
201: ok 11112 # correct ring bond data
201: ok 11113 # correct ring bond data
201: ok 11114 # correct ring bond data
201: ok 11115 # correct ring bond data
201: ok 11116 # SSSR size matches reference
201: ok 11117 # correct SSSR count
201: ok 11118 # ring membership passed
201: ok 11119 # correct SSSR count
201: ok 11120 # ring membership passed
201: ok 11121 # correct SSSR count
201: ok 11122 # ring membership passed
201: ok 11123 # correct SSSR count
201: ok 11124 # ring membership passed
201: ok 11125 # correct SSSR count
201: ok 11126 # ring membership passed
201: ok 11127 # correct SSSR count
201: ok 11128 # ring membership passed
201: ok 11129 # correct SSSR count
201: ok 11130 # ring membership passed
201: ok 11131 # correct SSSR count
201: ok 11132 # ring membership passed
201: ok 11133 # correct SSSR count
201: ok 11134 # ring membership passed
201: ok 11135 # correct SSSR count
201: ok 11136 # ring membership passed
201: ok 11137 # correct SSSR count
201: ok 11138 # ring membership passed
201: ok 11139 # correct SSSR count
201: ok 11140 # ring membership passed
201: ok 11141 # correct SSSR count
201: ok 11142 # ring membership passed
201: ok 11143 # correct SSSR count
201: ok 11144 # ring membership passed
201: ok 11145 # correct SSSR count
201: ok 11146 # ring membership passed
201: ok 11147 # correct SSSR count
201: ok 11148 # ring membership passed
201: ok 11149 # correct SSSR count
201: ok 11150 # ring membership passed
201: ok 11151 # correct SSSR count
201: ok 11152 # ring membership passed
201: ok 11153 # correct SSSR count
201: ok 11154 # ring membership passed
201: ok 11155 # correct SSSR count
201: ok 11156 # ring membership passed
201: ok 11157 # correct SSSR count
201: ok 11158 # ring membership passed
201: ok 11159 # correct SSSR count
201: ok 11160 # ring membership passed
201: ok 11161 # correct SSSR count
201: ok 11162 # ring membership passed
201: ok 11163 # correct ring bond data
201: ok 11164 # correct ring bond data
201: ok 11165 # correct ring bond data
201: ok 11166 # correct ring bond data
201: ok 11167 # correct ring bond data
201: ok 11168 # correct ring bond data
201: ok 11169 # correct ring bond data
201: ok 11170 # correct ring bond data
201: ok 11171 # correct ring bond data
201: ok 11172 # correct ring bond data
201: ok 11173 # correct ring bond data
201: ok 11174 # correct ring bond data
201: ok 11175 # correct ring bond data
201: ok 11176 # correct ring bond data
201: ok 11177 # correct ring bond data
201: ok 11178 # correct ring bond data
201: ok 11179 # correct ring bond data
201: ok 11180 # correct ring bond data
201: ok 11181 # correct ring bond data
201: ok 11182 # correct ring bond data
201: ok 11183 # SSSR size matches reference
201: ok 11184 # correct SSSR count
201: ok 11185 # ring membership passed
201: ok 11186 # correct SSSR count
201: ok 11187 # ring membership passed
201: ok 11188 # correct SSSR count
201: ok 11189 # ring membership passed
201: ok 11190 # correct SSSR count
201: ok 11191 # ring membership passed
201: ok 11192 # correct SSSR count
201: ok 11193 # ring membership passed
201: ok 11194 # correct SSSR count
201: ok 11195 # ring membership passed
201: ok 11196 # correct SSSR count
201: ok 11197 # ring membership passed
201: ok 11198 # correct SSSR count
201: ok 11199 # ring membership passed
201: ok 11200 # correct SSSR count
201: ok 11201 # ring membership passed
201: ok 11202 # correct SSSR count
201: ok 11203 # ring membership passed
201: ok 11204 # correct SSSR count
201: ok 11205 # ring membership passed
201: ok 11206 # correct SSSR count
201: ok 11207 # ring membership passed
201: ok 11208 # correct SSSR count
201: ok 11209 # ring membership passed
201: ok 11210 # correct SSSR count
201: ok 11211 # ring membership passed
201: ok 11212 # correct SSSR count
201: ok 11213 # ring membership passed
201: ok 11214 # correct SSSR count
201: ok 11215 # ring membership passed
201: ok 11216 # correct SSSR count
201: ok 11217 # ring membership passed
201: ok 11218 # correct SSSR count
201: ok 11219 # ring membership passed
201: ok 11220 # correct ring bond data
201: ok 11221 # correct ring bond data
201: ok 11222 # correct ring bond data
201: ok 11223 # correct ring bond data
201: ok 11224 # correct ring bond data
201: ok 11225 # correct ring bond data
201: ok 11226 # correct ring bond data
201: ok 11227 # correct ring bond data
201: ok 11228 # correct ring bond data
201: ok 11229 # correct ring bond data
201: ok 11230 # correct ring bond data
201: ok 11231 # correct ring bond data
201: ok 11232 # correct ring bond data
201: ok 11233 # correct ring bond data
201: ok 11234 # correct ring bond data
201: ok 11235 # correct ring bond data
201: ok 11236 # correct ring bond data
201: ok 11237 # correct ring bond data
201: ok 11238 # correct ring bond data
201: ok 11239 # correct ring bond data
201: ok 11240 # SSSR size matches reference
201: ok 11241 # correct SSSR count
201: ok 11242 # ring membership passed
201: ok 11243 # correct SSSR count
201: ok 11244 # ring membership passed
201: ok 11245 # correct SSSR count
201: ok 11246 # ring membership passed
201: ok 11247 # correct SSSR count
201: ok 11248 # ring membership passed
201: ok 11249 # correct SSSR count
201: ok 11250 # ring membership passed
201: ok 11251 # correct SSSR count
201: ok 11252 # ring membership passed
201: ok 11253 # correct SSSR count
201: ok 11254 # ring membership passed
201: ok 11255 # correct SSSR count
201: ok 11256 # ring membership passed
201: ok 11257 # correct SSSR count
201: ok 11258 # ring membership passed
201: ok 11259 # correct SSSR count
201: ok 11260 # ring membership passed
201: ok 11261 # correct SSSR count
201: ok 11262 # ring membership passed
201: ok 11263 # correct SSSR count
201: ok 11264 # ring membership passed
201: ok 11265 # correct SSSR count
201: ok 11266 # ring membership passed
201: ok 11267 # correct SSSR count
201: ok 11268 # ring membership passed
201: ok 11269 # correct SSSR count
201: ok 11270 # ring membership passed
201: ok 11271 # correct SSSR count
201: ok 11272 # ring membership passed
201: ok 11273 # correct SSSR count
201: ok 11274 # ring membership passed
201: ok 11275 # correct SSSR count
201: ok 11276 # ring membership passed
201: ok 11277 # correct ring bond data
201: ok 11278 # correct ring bond data
201: ok 11279 # correct ring bond data
201: ok 11280 # correct ring bond data
201: ok 11281 # correct ring bond data
201: ok 11282 # correct ring bond data
201: ok 11283 # correct ring bond data
201: ok 11284 # correct ring bond data
201: ok 11285 # correct ring bond data
201: ok 11286 # correct ring bond data
201: ok 11287 # correct ring bond data
201: ok 11288 # correct ring bond data
201: ok 11289 # correct ring bond data
201: ok 11290 # correct ring bond data
201: ok 11291 # correct ring bond data
201: ok 11292 # correct ring bond data
201: ok 11293 # correct ring bond data
201: ok 11294 # SSSR size matches reference
201: ok 11295 # correct SSSR count
201: ok 11296 # ring membership passed
201: ok 11297 # correct SSSR count
201: ok 11298 # ring membership passed
201: ok 11299 # correct SSSR count
201: ok 11300 # ring membership passed
201: ok 11301 # correct SSSR count
201: ok 11302 # ring membership passed
201: ok 11303 # correct SSSR count
201: ok 11304 # ring membership passed
201: ok 11305 # correct SSSR count
201: ok 11306 # ring membership passed
201: ok 11307 # correct SSSR count
201: ok 11308 # ring membership passed
201: ok 11309 # correct SSSR count
201: ok 11310 # ring membership passed
201: ok 11311 # correct SSSR count
201: ok 11312 # ring membership passed
201: ok 11313 # correct SSSR count
201: ok 11314 # ring membership passed
201: ok 11315 # correct SSSR count
201: ok 11316 # ring membership passed
201: ok 11317 # correct SSSR count
201: ok 11318 # ring membership passed
201: ok 11319 # correct SSSR count
201: ok 11320 # ring membership passed
201: ok 11321 # correct SSSR count
201: ok 11322 # ring membership passed
201: ok 11323 # correct SSSR count
201: ok 11324 # ring membership passed
201: ok 11325 # correct SSSR count
201: ok 11326 # ring membership passed
201: ok 11327 # correct SSSR count
201: ok 11328 # ring membership passed
201: ok 11329 # correct ring bond data
201: ok 11330 # correct ring bond data
201: ok 11331 # correct ring bond data
201: ok 11332 # correct ring bond data
201: ok 11333 # correct ring bond data
201: ok 11334 # correct ring bond data
201: ok 11335 # correct ring bond data
201: ok 11336 # correct ring bond data
201: ok 11337 # correct ring bond data
201: ok 11338 # correct ring bond data
201: ok 11339 # correct ring bond data
201: ok 11340 # correct ring bond data
201: ok 11341 # correct ring bond data
201: ok 11342 # correct ring bond data
201: ok 11343 # correct ring bond data
201: ok 11344 # correct ring bond data
201: ok 11345 # correct ring bond data
201: ok 11346 # correct ring bond data
201: ok 11347 # correct ring bond data
201: ok 11348 # correct ring bond data
201: ok 11349 # correct ring bond data
201: ok 11350 # correct ring bond data
201: ok 11351 # correct ring bond data
201: ok 11352 # correct ring bond data
201: ok 11353 # correct ring bond data
201: ok 11354 # correct ring bond data
201: ok 11355 # correct ring bond data
201: ok 11356 # correct ring bond data
201: ok 11357 # correct ring bond data
201: ok 11358 # correct ring bond data
201: ok 11359 # correct ring bond data
201: ok 11360 # SSSR size matches reference
201: ok 11361 # correct SSSR count
201: ok 11362 # ring membership passed
201: ok 11363 # correct SSSR count
201: ok 11364 # ring membership passed
201: ok 11365 # correct SSSR count
201: ok 11366 # ring membership passed
201: ok 11367 # correct SSSR count
201: ok 11368 # ring membership passed
201: ok 11369 # correct SSSR count
201: ok 11370 # ring membership passed
201: ok 11371 # correct SSSR count
201: ok 11372 # ring membership passed
201: ok 11373 # correct SSSR count
201: ok 11374 # ring membership passed
201: ok 11375 # correct SSSR count
201: ok 11376 # ring membership passed
201: ok 11377 # correct SSSR count
201: ok 11378 # ring membership passed
201: ok 11379 # correct SSSR count
201: ok 11380 # ring membership passed
201: ok 11381 # correct SSSR count
201: ok 11382 # ring membership passed
201: ok 11383 # correct SSSR count
201: ok 11384 # ring membership passed
201: ok 11385 # correct SSSR count
201: ok 11386 # ring membership passed
201: ok 11387 # correct SSSR count
201: ok 11388 # ring membership passed
201: ok 11389 # correct SSSR count
201: ok 11390 # ring membership passed
201: ok 11391 # correct SSSR count
201: ok 11392 # ring membership passed
201: ok 11393 # correct SSSR count
201: ok 11394 # ring membership passed
201: ok 11395 # correct SSSR count
201: ok 11396 # ring membership passed
201: ok 11397 # correct SSSR count
201: ok 11398 # ring membership passed
201: ok 11399 # correct SSSR count
201: ok 11400 # ring membership passed
201: ok 11401 # correct SSSR count
201: ok 11402 # ring membership passed
201: ok 11403 # correct SSSR count
201: ok 11404 # ring membership passed
201: ok 11405 # correct SSSR count
201: ok 11406 # ring membership passed
201: ok 11407 # correct SSSR count
201: ok 11408 # ring membership passed
201: ok 11409 # correct SSSR count
201: ok 11410 # ring membership passed
201: ok 11411 # correct SSSR count
201: ok 11412 # ring membership passed
201: ok 11413 # correct SSSR count
201: ok 11414 # ring membership passed
201: ok 11415 # correct SSSR count
201: ok 11416 # ring membership passed
201: ok 11417 # correct SSSR count
201: ok 11418 # ring membership passed
201: ok 11419 # correct ring bond data
201: ok 11420 # correct ring bond data
201: ok 11421 # correct ring bond data
201: ok 11422 # correct ring bond data
201: ok 11423 # correct ring bond data
201: ok 11424 # correct ring bond data
201: ok 11425 # correct ring bond data
201: ok 11426 # correct ring bond data
201: ok 11427 # correct ring bond data
201: ok 11428 # correct ring bond data
201: ok 11429 # correct ring bond data
201: ok 11430 # correct ring bond data
201: ok 11431 # correct ring bond data
201: ok 11432 # correct ring bond data
201: ok 11433 # correct ring bond data
201: ok 11434 # correct ring bond data
201: ok 11435 # correct ring bond data
201: ok 11436 # correct ring bond data
201: ok 11437 # correct ring bond data
201: ok 11438 # SSSR size matches reference
201: ok 11439 # correct SSSR count
201: ok 11440 # ring membership passed
201: ok 11441 # correct SSSR count
201: ok 11442 # ring membership passed
201: ok 11443 # correct SSSR count
201: ok 11444 # ring membership passed
201: ok 11445 # correct SSSR count
201: ok 11446 # ring membership passed
201: ok 11447 # correct SSSR count
201: ok 11448 # ring membership passed
201: ok 11449 # correct SSSR count
201: ok 11450 # ring membership passed
201: ok 11451 # correct SSSR count
201: ok 11452 # ring membership passed
201: ok 11453 # correct SSSR count
201: ok 11454 # ring membership passed
201: ok 11455 # correct SSSR count
201: ok 11456 # ring membership passed
201: ok 11457 # correct SSSR count
201: ok 11458 # ring membership passed
201: ok 11459 # correct SSSR count
201: ok 11460 # ring membership passed
201: ok 11461 # correct SSSR count
201: ok 11462 # ring membership passed
201: ok 11463 # correct SSSR count
201: ok 11464 # ring membership passed
201: ok 11465 # correct SSSR count
201: ok 11466 # ring membership passed
201: ok 11467 # correct SSSR count
201: ok 11468 # ring membership passed
201: ok 11469 # correct SSSR count
201: ok 11470 # ring membership passed
201: ok 11471 # correct SSSR count
201: ok 11472 # ring membership passed
201: ok 11473 # correct SSSR count
201: ok 11474 # ring membership passed
201: ok 11475 # correct ring bond data
201: ok 11476 # correct ring bond data
201: ok 11477 # correct ring bond data
201: ok 11478 # correct ring bond data
201: ok 11479 # correct ring bond data
201: ok 11480 # correct ring bond data
201: ok 11481 # correct ring bond data
201: ok 11482 # correct ring bond data
201: ok 11483 # correct ring bond data
201: ok 11484 # correct ring bond data
201: ok 11485 # correct ring bond data
201: ok 11486 # correct ring bond data
201: ok 11487 # correct ring bond data
201: ok 11488 # correct ring bond data
201: ok 11489 # correct ring bond data
201: ok 11490 # correct ring bond data
201: ok 11491 # correct ring bond data
201: ok 11492 # correct ring bond data
201: ok 11493 # correct ring bond data
201: ok 11494 # correct ring bond data
201: ok 11495 # SSSR size matches reference
201: ok 11496 # correct SSSR count
201: ok 11497 # ring membership passed
201: ok 11498 # correct SSSR count
201: ok 11499 # ring membership passed
201: ok 11500 # correct SSSR count
201: ok 11501 # ring membership passed
201: ok 11502 # correct SSSR count
201: ok 11503 # ring membership passed
201: ok 11504 # correct SSSR count
201: ok 11505 # ring membership passed
201: ok 11506 # correct SSSR count
201: ok 11507 # ring membership passed
201: ok 11508 # correct SSSR count
201: ok 11509 # ring membership passed
201: ok 11510 # correct SSSR count
201: ok 11511 # ring membership passed
201: ok 11512 # correct SSSR count
201: ok 11513 # ring membership passed
201: ok 11514 # correct SSSR count
201: ok 11515 # ring membership passed
201: ok 11516 # correct SSSR count
201: ok 11517 # ring membership passed
201: ok 11518 # correct SSSR count
201: ok 11519 # ring membership passed
201: ok 11520 # correct SSSR count
201: ok 11521 # ring membership passed
201: ok 11522 # correct SSSR count
201: ok 11523 # ring membership passed
201: ok 11524 # correct SSSR count
201: ok 11525 # ring membership passed
201: ok 11526 # correct SSSR count
201: ok 11527 # ring membership passed
201: ok 11528 # correct SSSR count
201: ok 11529 # ring membership passed
201: ok 11530 # correct SSSR count
201: ok 11531 # ring membership passed
201: ok 11532 # correct SSSR count
201: ok 11533 # ring membership passed
201: ok 11534 # correct ring bond data
201: ok 11535 # correct ring bond data
201: ok 11536 # correct ring bond data
201: ok 11537 # correct ring bond data
201: ok 11538 # correct ring bond data
201: ok 11539 # correct ring bond data
201: ok 11540 # correct ring bond data
201: ok 11541 # correct ring bond data
201: ok 11542 # correct ring bond data
201: ok 11543 # correct ring bond data
201: ok 11544 # correct ring bond data
201: ok 11545 # correct ring bond data
201: ok 11546 # correct ring bond data
201: ok 11547 # correct ring bond data
201: ok 11548 # correct ring bond data
201: ok 11549 # correct ring bond data
201: ok 11550 # correct ring bond data
201: ok 11551 # correct ring bond data
201: ok 11552 # correct ring bond data
201: ok 11553 # correct ring bond data
201: ok 11554 # correct ring bond data
201: ok 11555 # SSSR size matches reference
201: ok 11556 # correct SSSR count
201: ok 11557 # ring membership passed
201: ok 11558 # correct SSSR count
201: ok 11559 # ring membership passed
201: ok 11560 # correct SSSR count
201: ok 11561 # ring membership passed
201: ok 11562 # correct SSSR count
201: ok 11563 # ring membership passed
201: ok 11564 # correct SSSR count
201: ok 11565 # ring membership passed
201: ok 11566 # correct SSSR count
201: ok 11567 # ring membership passed
201: ok 11568 # correct SSSR count
201: ok 11569 # ring membership passed
201: ok 11570 # correct SSSR count
201: ok 11571 # ring membership passed
201: ok 11572 # correct SSSR count
201: ok 11573 # ring membership passed
201: ok 11574 # correct SSSR count
201: ok 11575 # ring membership passed
201: ok 11576 # correct SSSR count
201: ok 11577 # ring membership passed
201: ok 11578 # correct SSSR count
201: ok 11579 # ring membership passed
201: ok 11580 # correct SSSR count
201: ok 11581 # ring membership passed
201: ok 11582 # correct SSSR count
201: ok 11583 # ring membership passed
201: ok 11584 # correct SSSR count
201: ok 11585 # ring membership passed
201: ok 11586 # correct SSSR count
201: ok 11587 # ring membership passed
201: ok 11588 # correct SSSR count
201: ok 11589 # ring membership passed
201: ok 11590 # correct SSSR count
201: ok 11591 # ring membership passed
201: ok 11592 # correct SSSR count
201: ok 11593 # ring membership passed
201: ok 11594 # correct SSSR count
201: ok 11595 # ring membership passed
201: ok 11596 # correct ring bond data
201: ok 11597 # correct ring bond data
201: ok 11598 # correct ring bond data
201: ok 11599 # correct ring bond data
201: ok 11600 # correct ring bond data
201: ok 11601 # correct ring bond data
201: ok 11602 # correct ring bond data
201: ok 11603 # correct ring bond data
201: ok 11604 # correct ring bond data
201: ok 11605 # correct ring bond data
201: ok 11606 # correct ring bond data
201: ok 11607 # correct ring bond data
201: ok 11608 # SSSR size matches reference
201: ok 11609 # correct SSSR count
201: ok 11610 # ring membership passed
201: ok 11611 # correct SSSR count
201: ok 11612 # ring membership passed
201: ok 11613 # correct SSSR count
201: ok 11614 # ring membership passed
201: ok 11615 # correct SSSR count
201: ok 11616 # ring membership passed
201: ok 11617 # correct SSSR count
201: ok 11618 # ring membership passed
201: ok 11619 # correct SSSR count
201: ok 11620 # ring membership passed
201: ok 11621 # correct SSSR count
201: ok 11622 # ring membership passed
201: ok 11623 # correct SSSR count
201: ok 11624 # ring membership passed
201: ok 11625 # correct SSSR count
201: ok 11626 # ring membership passed
201: ok 11627 # correct SSSR count
201: ok 11628 # ring membership passed
201: ok 11629 # correct SSSR count
201: ok 11630 # ring membership passed
201: ok 11631 # correct ring bond data
201: ok 11632 # correct ring bond data
201: ok 11633 # correct ring bond data
201: ok 11634 # correct ring bond data
201: ok 11635 # correct ring bond data
201: ok 11636 # correct ring bond data
201: ok 11637 # correct ring bond data
201: ok 11638 # correct ring bond data
201: ok 11639 # correct ring bond data
201: ok 11640 # correct ring bond data
201: ok 11641 # correct ring bond data
201: ok 11642 # correct ring bond data
201: ok 11643 # correct ring bond data
201: ok 11644 # correct ring bond data
201: ok 11645 # correct ring bond data
201: ok 11646 # correct ring bond data
201: ok 11647 # correct ring bond data
201: ok 11648 # correct ring bond data
201: ok 11649 # correct ring bond data
201: ok 11650 # correct ring bond data
201: ok 11651 # SSSR size matches reference
201: ok 11652 # correct SSSR count
201: ok 11653 # ring membership passed
201: ok 11654 # correct SSSR count
201: ok 11655 # ring membership passed
201: ok 11656 # correct SSSR count
201: ok 11657 # ring membership passed
201: ok 11658 # correct SSSR count
201: ok 11659 # ring membership passed
201: ok 11660 # correct SSSR count
201: ok 11661 # ring membership passed
201: ok 11662 # correct SSSR count
201: ok 11663 # ring membership passed
201: ok 11664 # correct SSSR count
201: ok 11665 # ring membership passed
201: ok 11666 # correct SSSR count
201: ok 11667 # ring membership passed
201: ok 11668 # correct SSSR count
201: ok 11669 # ring membership passed
201: ok 11670 # correct SSSR count
201: ok 11671 # ring membership passed
201: ok 11672 # correct SSSR count
201: ok 11673 # ring membership passed
201: ok 11674 # correct SSSR count
201: ok 11675 # ring membership passed
201: ok 11676 # correct SSSR count
201: ok 11677 # ring membership passed
201: ok 11678 # correct SSSR count
201: ok 11679 # ring membership passed
201: ok 11680 # correct SSSR count
201: ok 11681 # ring membership passed
201: ok 11682 # correct SSSR count
201: ok 11683 # ring membership passed
201: ok 11684 # correct SSSR count
201: ok 11685 # ring membership passed
201: ok 11686 # correct SSSR count
201: ok 11687 # ring membership passed
201: ok 11688 # correct SSSR count
201: ok 11689 # ring membership passed
201: ok 11690 # correct ring bond data
201: ok 11691 # correct ring bond data
201: ok 11692 # correct ring bond data
201: ok 11693 # correct ring bond data
201: ok 11694 # correct ring bond data
201: ok 11695 # correct ring bond data
201: ok 11696 # correct ring bond data
201: ok 11697 # correct ring bond data
201: ok 11698 # correct ring bond data
201: ok 11699 # correct ring bond data
201: ok 11700 # correct ring bond data
201: ok 11701 # correct ring bond data
201: ok 11702 # correct ring bond data
201: ok 11703 # SSSR size matches reference
201: ok 11704 # correct SSSR count
201: ok 11705 # ring membership passed
201: ok 11706 # correct SSSR count
201: ok 11707 # ring membership passed
201: ok 11708 # correct SSSR count
201: ok 11709 # ring membership passed
201: ok 11710 # correct SSSR count
201: ok 11711 # ring membership passed
201: ok 11712 # correct SSSR count
201: ok 11713 # ring membership passed
201: ok 11714 # correct SSSR count
201: ok 11715 # ring membership passed
201: ok 11716 # correct SSSR count
201: ok 11717 # ring membership passed
201: ok 11718 # correct SSSR count
201: ok 11719 # ring membership passed
201: ok 11720 # correct SSSR count
201: ok 11721 # ring membership passed
201: ok 11722 # correct SSSR count
201: ok 11723 # ring membership passed
201: ok 11724 # correct SSSR count
201: ok 11725 # ring membership passed
201: ok 11726 # correct SSSR count
201: ok 11727 # ring membership passed
201: ok 11728 # correct ring bond data
201: ok 11729 # correct ring bond data
201: ok 11730 # correct ring bond data
201: ok 11731 # correct ring bond data
201: ok 11732 # correct ring bond data
201: ok 11733 # correct ring bond data
201: ok 11734 # correct ring bond data
201: ok 11735 # correct ring bond data
201: ok 11736 # correct ring bond data
201: ok 11737 # correct ring bond data
201: ok 11738 # correct ring bond data
201: ok 11739 # correct ring bond data
201: ok 11740 # correct ring bond data
201: ok 11741 # correct ring bond data
201: ok 11742 # correct ring bond data
201: ok 11743 # correct ring bond data
201: ok 11744 # correct ring bond data
201: ok 11745 # correct ring bond data
201: ok 11746 # correct ring bond data
201: ok 11747 # correct ring bond data
201: ok 11748 # correct ring bond data
201: ok 11749 # correct ring bond data
201: ok 11750 # correct ring bond data
201: ok 11751 # correct ring bond data
201: ok 11752 # correct ring bond data
201: ok 11753 # correct ring bond data
201: ok 11754 # correct ring bond data
201: ok 11755 # correct ring bond data
201: ok 11756 # correct ring bond data
201: ok 11757 # SSSR size matches reference
201: ok 11758 # correct SSSR count
201: ok 11759 # ring membership passed
201: ok 11760 # correct SSSR count
201: ok 11761 # ring membership passed
201: ok 11762 # correct SSSR count
201: ok 11763 # ring membership passed
201: ok 11764 # correct SSSR count
201: ok 11765 # ring membership passed
201: ok 11766 # correct SSSR count
201: ok 11767 # ring membership passed
201: ok 11768 # correct SSSR count
201: ok 11769 # ring membership passed
201: ok 11770 # correct SSSR count
201: ok 11771 # ring membership passed
201: ok 11772 # correct SSSR count
201: ok 11773 # ring membership passed
201: ok 11774 # correct SSSR count
201: ok 11775 # ring membership passed
201: ok 11776 # correct SSSR count
201: ok 11777 # ring membership passed
201: ok 11778 # correct SSSR count
201: ok 11779 # ring membership passed
201: ok 11780 # correct SSSR count
201: ok 11781 # ring membership passed
201: ok 11782 # correct SSSR count
201: ok 11783 # ring membership passed
201: ok 11784 # correct SSSR count
201: ok 11785 # ring membership passed
201: ok 11786 # correct SSSR count
201: ok 11787 # ring membership passed
201: ok 11788 # correct SSSR count
201: ok 11789 # ring membership passed
201: ok 11790 # correct SSSR count
201: ok 11791 # ring membership passed
201: ok 11792 # correct SSSR count
201: ok 11793 # ring membership passed
201: ok 11794 # correct SSSR count
201: ok 11795 # ring membership passed
201: ok 11796 # correct SSSR count
201: ok 11797 # ring membership passed
201: ok 11798 # correct SSSR count
201: ok 11799 # ring membership passed
201: ok 11800 # correct SSSR count
201: ok 11801 # ring membership passed
201: ok 11802 # correct SSSR count
201: ok 11803 # ring membership passed
201: ok 11804 # correct SSSR count
201: ok 11805 # ring membership passed
201: ok 11806 # correct SSSR count
201: ok 11807 # ring membership passed
201: ok 11808 # correct SSSR count
201: ok 11809 # ring membership passed
201: ok 11810 # correct ring bond data
201: ok 11811 # correct ring bond data
201: ok 11812 # correct ring bond data
201: ok 11813 # correct ring bond data
201: ok 11814 # correct ring bond data
201: ok 11815 # correct ring bond data
201: ok 11816 # correct ring bond data
201: ok 11817 # correct ring bond data
201: ok 11818 # correct ring bond data
201: ok 11819 # correct ring bond data
201: ok 11820 # correct ring bond data
201: ok 11821 # correct ring bond data
201: ok 11822 # correct ring bond data
201: ok 11823 # correct ring bond data
201: ok 11824 # correct ring bond data
201: ok 11825 # correct ring bond data
201: ok 11826 # correct ring bond data
201: ok 11827 # correct ring bond data
201: ok 11828 # correct ring bond data
201: ok 11829 # correct ring bond data
201: ok 11830 # correct ring bond data
201: ok 11831 # correct ring bond data
201: ok 11832 # correct ring bond data
201: ok 11833 # correct ring bond data
201: ok 11834 # correct ring bond data
201: ok 11835 # correct ring bond data
201: ok 11836 # correct ring bond data
201: ok 11837 # correct ring bond data
201: ok 11838 # correct ring bond data
201: ok 11839 # correct ring bond data
201: ok 11840 # correct ring bond data
201: ok 11841 # SSSR size matches reference
201: ok 11842 # correct SSSR count
201: ok 11843 # ring membership passed
201: ok 11844 # correct SSSR count
201: ok 11845 # ring membership passed
201: ok 11846 # correct SSSR count
201: ok 11847 # ring membership passed
201: ok 11848 # correct SSSR count
201: ok 11849 # ring membership passed
201: ok 11850 # correct SSSR count
201: ok 11851 # ring membership passed
201: ok 11852 # correct SSSR count
201: ok 11853 # ring membership passed
201: ok 11854 # correct SSSR count
201: ok 11855 # ring membership passed
201: ok 11856 # correct SSSR count
201: ok 11857 # ring membership passed
201: ok 11858 # correct SSSR count
201: ok 11859 # ring membership passed
201: ok 11860 # correct SSSR count
201: ok 11861 # ring membership passed
201: ok 11862 # correct SSSR count
201: ok 11863 # ring membership passed
201: ok 11864 # correct SSSR count
201: ok 11865 # ring membership passed
201: ok 11866 # correct SSSR count
201: ok 11867 # ring membership passed
201: ok 11868 # correct SSSR count
201: ok 11869 # ring membership passed
201: ok 11870 # correct SSSR count
201: ok 11871 # ring membership passed
201: ok 11872 # correct SSSR count
201: ok 11873 # ring membership passed
201: ok 11874 # correct SSSR count
201: ok 11875 # ring membership passed
201: ok 11876 # correct SSSR count
201: ok 11877 # ring membership passed
201: ok 11878 # correct SSSR count
201: ok 11879 # ring membership passed
201: ok 11880 # correct SSSR count
201: ok 11881 # ring membership passed
201: ok 11882 # correct SSSR count
201: ok 11883 # ring membership passed
201: ok 11884 # correct SSSR count
201: ok 11885 # ring membership passed
201: ok 11886 # correct SSSR count
201: ok 11887 # ring membership passed
201: ok 11888 # correct SSSR count
201: ok 11889 # ring membership passed
201: ok 11890 # correct SSSR count
201: ok 11891 # ring membership passed
201: ok 11892 # correct SSSR count
201: ok 11893 # ring membership passed
201: ok 11894 # correct SSSR count
201: ok 11895 # ring membership passed
201: ok 11896 # correct SSSR count
201: ok 11897 # ring membership passed
201: ok 11898 # correct SSSR count
201: ok 11899 # ring membership passed
201: ok 11900 # correct ring bond data
201: ok 11901 # correct ring bond data
201: ok 11902 # correct ring bond data
201: ok 11903 # correct ring bond data
201: ok 11904 # correct ring bond data
201: ok 11905 # correct ring bond data
201: ok 11906 # correct ring bond data
201: ok 11907 # correct ring bond data
201: ok 11908 # correct ring bond data
201: ok 11909 # correct ring bond data
201: ok 11910 # correct ring bond data
201: ok 11911 # correct ring bond data
201: ok 11912 # correct ring bond data
201: ok 11913 # correct ring bond data
201: ok 11914 # correct ring bond data
201: ok 11915 # SSSR size matches reference
201: ok 11916 # correct SSSR count
201: ok 11917 # ring membership passed
201: ok 11918 # correct SSSR count
201: ok 11919 # ring membership passed
201: ok 11920 # correct SSSR count
201: ok 11921 # ring membership passed
201: ok 11922 # correct SSSR count
201: ok 11923 # ring membership passed
201: ok 11924 # correct SSSR count
201: ok 11925 # ring membership passed
201: ok 11926 # correct SSSR count
201: ok 11927 # ring membership passed
201: ok 11928 # correct SSSR count
201: ok 11929 # ring membership passed
201: ok 11930 # correct SSSR count
201: ok 11931 # ring membership passed
201: ok 11932 # correct SSSR count
201: ok 11933 # ring membership passed
201: ok 11934 # correct SSSR count
201: ok 11935 # ring membership passed
201: ok 11936 # correct SSSR count
201: ok 11937 # ring membership passed
201: ok 11938 # correct SSSR count
201: ok 11939 # ring membership passed
201: ok 11940 # correct SSSR count
201: ok 11941 # ring membership passed
201: ok 11942 # correct SSSR count
201: ok 11943 # ring membership passed
201: ok 11944 # correct SSSR count
201: ok 11945 # ring membership passed
201: ok 11946 # correct ring bond data
201: ok 11947 # correct ring bond data
201: ok 11948 # correct ring bond data
201: ok 11949 # correct ring bond data
201: ok 11950 # correct ring bond data
201: ok 11951 # correct ring bond data
201: ok 11952 # correct ring bond data
201: ok 11953 # correct ring bond data
201: ok 11954 # correct ring bond data
201: ok 11955 # correct ring bond data
201: ok 11956 # correct ring bond data
201: ok 11957 # correct ring bond data
201: ok 11958 # correct ring bond data
201: ok 11959 # correct ring bond data
201: ok 11960 # correct ring bond data
201: ok 11961 # correct ring bond data
201: ok 11962 # correct ring bond data
201: ok 11963 # correct ring bond data
201: ok 11964 # correct ring bond data
201: ok 11965 # correct ring bond data
201: ok 11966 # correct ring bond data
201: ok 11967 # correct ring bond data
201: ok 11968 # correct ring bond data
201: ok 11969 # correct ring bond data
201: ok 11970 # correct ring bond data
201: ok 11971 # correct ring bond data
201: ok 11972 # correct ring bond data
201: ok 11973 # correct ring bond data
201: ok 11974 # correct ring bond data
201: ok 11975 # correct ring bond data
201: ok 11976 # correct ring bond data
201: ok 11977 # SSSR size matches reference
201: ok 11978 # correct SSSR count
201: ok 11979 # ring membership passed
201: ok 11980 # correct SSSR count
201: ok 11981 # ring membership passed
201: ok 11982 # correct SSSR count
201: ok 11983 # ring membership passed
201: ok 11984 # correct SSSR count
201: ok 11985 # ring membership passed
201: ok 11986 # correct SSSR count
201: ok 11987 # ring membership passed
201: ok 11988 # correct SSSR count
201: ok 11989 # ring membership passed
201: ok 11990 # correct SSSR count
201: ok 11991 # ring membership passed
201: ok 11992 # correct SSSR count
201: ok 11993 # ring membership passed
201: ok 11994 # correct SSSR count
201: ok 11995 # ring membership passed
201: ok 11996 # correct SSSR count
201: ok 11997 # ring membership passed
201: ok 11998 # correct SSSR count
201: ok 11999 # ring membership passed
201: ok 12000 # correct SSSR count
201: ok 12001 # ring membership passed
201: ok 12002 # correct SSSR count
201: ok 12003 # ring membership passed
201: ok 12004 # correct SSSR count
201: ok 12005 # ring membership passed
201: ok 12006 # correct SSSR count
201: ok 12007 # ring membership passed
201: ok 12008 # correct SSSR count
201: ok 12009 # ring membership passed
201: ok 12010 # correct SSSR count
201: ok 12011 # ring membership passed
201: ok 12012 # correct SSSR count
201: ok 12013 # ring membership passed
201: ok 12014 # correct SSSR count
201: ok 12015 # ring membership passed
201: ok 12016 # correct SSSR count
201: ok 12017 # ring membership passed
201: ok 12018 # correct SSSR count
201: ok 12019 # ring membership passed
201: ok 12020 # correct SSSR count
201: ok 12021 # ring membership passed
201: ok 12022 # correct SSSR count
201: ok 12023 # ring membership passed
201: ok 12024 # correct SSSR count
201: ok 12025 # ring membership passed
201: ok 12026 # correct SSSR count
201: ok 12027 # ring membership passed
201: ok 12028 # correct SSSR count
201: ok 12029 # ring membership passed
201: ok 12030 # correct SSSR count
201: ok 12031 # ring membership passed
201: ok 12032 # correct SSSR count
201: ok 12033 # ring membership passed
201: ok 12034 # correct ring bond data
201: ok 12035 # correct ring bond data
201: ok 12036 # correct ring bond data
201: ok 12037 # correct ring bond data
201: ok 12038 # correct ring bond data
201: ok 12039 # correct ring bond data
201: ok 12040 # correct ring bond data
201: ok 12041 # correct ring bond data
201: ok 12042 # correct ring bond data
201: ok 12043 # correct ring bond data
201: ok 12044 # correct ring bond data
201: ok 12045 # correct ring bond data
201: ok 12046 # correct ring bond data
201: ok 12047 # correct ring bond data
201: ok 12048 # correct ring bond data
201: ok 12049 # correct ring bond data
201: ok 12050 # correct ring bond data
201: ok 12051 # SSSR size matches reference
201: ok 12052 # correct SSSR count
201: ok 12053 # ring membership passed
201: ok 12054 # correct SSSR count
201: ok 12055 # ring membership passed
201: ok 12056 # correct SSSR count
201: ok 12057 # ring membership passed
201: ok 12058 # correct SSSR count
201: ok 12059 # ring membership passed
201: ok 12060 # correct SSSR count
201: ok 12061 # ring membership passed
201: ok 12062 # correct SSSR count
201: ok 12063 # ring membership passed
201: ok 12064 # correct SSSR count
201: ok 12065 # ring membership passed
201: ok 12066 # correct SSSR count
201: ok 12067 # ring membership passed
201: ok 12068 # correct SSSR count
201: ok 12069 # ring membership passed
201: ok 12070 # correct SSSR count
201: ok 12071 # ring membership passed
201: ok 12072 # correct SSSR count
201: ok 12073 # ring membership passed
201: ok 12074 # correct SSSR count
201: ok 12075 # ring membership passed
201: ok 12076 # correct SSSR count
201: ok 12077 # ring membership passed
201: ok 12078 # correct SSSR count
201: ok 12079 # ring membership passed
201: ok 12080 # correct SSSR count
201: ok 12081 # ring membership passed
201: ok 12082 # correct SSSR count
201: ok 12083 # ring membership passed
201: ok 12084 # correct SSSR count
201: ok 12085 # ring membership passed
201: ok 12086 # correct ring bond data
201: ok 12087 # correct ring bond data
201: ok 12088 # correct ring bond data
201: ok 12089 # correct ring bond data
201: ok 12090 # correct ring bond data
201: ok 12091 # correct ring bond data
201: ok 12092 # correct ring bond data
201: ok 12093 # correct ring bond data
201: ok 12094 # correct ring bond data
201: ok 12095 # correct ring bond data
201: ok 12096 # correct ring bond data
201: ok 12097 # correct ring bond data
201: ok 12098 # correct ring bond data
201: ok 12099 # correct ring bond data
201: ok 12100 # correct ring bond data
201: ok 12101 # correct ring bond data
201: ok 12102 # correct ring bond data
201: ok 12103 # correct ring bond data
201: ok 12104 # correct ring bond data
201: ok 12105 # correct ring bond data
201: ok 12106 # correct ring bond data
201: ok 12107 # correct ring bond data
201: ok 12108 # correct ring bond data
201: ok 12109 # correct ring bond data
201: ok 12110 # correct ring bond data
201: ok 12111 # correct ring bond data
201: ok 12112 # SSSR size matches reference
201: ok 12113 # correct SSSR count
201: ok 12114 # ring membership passed
201: ok 12115 # correct SSSR count
201: ok 12116 # ring membership passed
201: ok 12117 # correct SSSR count
201: ok 12118 # ring membership passed
201: ok 12119 # correct SSSR count
201: ok 12120 # ring membership passed
201: ok 12121 # correct SSSR count
201: ok 12122 # ring membership passed
201: ok 12123 # correct SSSR count
201: ok 12124 # ring membership passed
201: ok 12125 # correct SSSR count
201: ok 12126 # ring membership passed
201: ok 12127 # correct SSSR count
201: ok 12128 # ring membership passed
201: ok 12129 # correct SSSR count
201: ok 12130 # ring membership passed
201: ok 12131 # correct SSSR count
201: ok 12132 # ring membership passed
201: ok 12133 # correct SSSR count
201: ok 12134 # ring membership passed
201: ok 12135 # correct SSSR count
201: ok 12136 # ring membership passed
201: ok 12137 # correct SSSR count
201: ok 12138 # ring membership passed
201: ok 12139 # correct SSSR count
201: ok 12140 # ring membership passed
201: ok 12141 # correct SSSR count
201: ok 12142 # ring membership passed
201: ok 12143 # correct SSSR count
201: ok 12144 # ring membership passed
201: ok 12145 # correct SSSR count
201: ok 12146 # ring membership passed
201: ok 12147 # correct SSSR count
201: ok 12148 # ring membership passed
201: ok 12149 # correct SSSR count
201: ok 12150 # ring membership passed
201: ok 12151 # correct SSSR count
201: ok 12152 # ring membership passed
201: ok 12153 # correct SSSR count
201: ok 12154 # ring membership passed
201: ok 12155 # correct SSSR count
201: ok 12156 # ring membership passed
201: ok 12157 # correct SSSR count
201: ok 12158 # ring membership passed
201: ok 12159 # correct SSSR count
201: ok 12160 # ring membership passed
201: ok 12161 # correct ring bond data
201: ok 12162 # correct ring bond data
201: ok 12163 # correct ring bond data
201: ok 12164 # correct ring bond data
201: ok 12165 # correct ring bond data
201: ok 12166 # correct ring bond data
201: ok 12167 # correct ring bond data
201: ok 12168 # correct ring bond data
201: ok 12169 # correct ring bond data
201: ok 12170 # correct ring bond data
201: ok 12171 # correct ring bond data
201: ok 12172 # correct ring bond data
201: ok 12173 # correct ring bond data
201: ok 12174 # correct ring bond data
201: ok 12175 # correct ring bond data
201: ok 12176 # correct ring bond data
201: ok 12177 # correct ring bond data
201: ok 12178 # correct ring bond data
201: ok 12179 # correct ring bond data
201: ok 12180 # correct ring bond data
201: ok 12181 # correct ring bond data
201: ok 12182 # correct ring bond data
201: ok 12183 # correct ring bond data
201: ok 12184 # correct ring bond data
201: ok 12185 # correct ring bond data
201: ok 12186 # correct ring bond data
201: ok 12187 # correct ring bond data
201: ok 12188 # correct ring bond data
201: ok 12189 # SSSR size matches reference
201: ok 12190 # correct SSSR count
201: ok 12191 # ring membership passed
201: ok 12192 # correct SSSR count
201: ok 12193 # ring membership passed
201: ok 12194 # correct SSSR count
201: ok 12195 # ring membership passed
201: ok 12196 # correct SSSR count
201: ok 12197 # ring membership passed
201: ok 12198 # correct SSSR count
201: ok 12199 # ring membership passed
201: ok 12200 # correct SSSR count
201: ok 12201 # ring membership passed
201: ok 12202 # correct SSSR count
201: ok 12203 # ring membership passed
201: ok 12204 # correct SSSR count
201: ok 12205 # ring membership passed
201: ok 12206 # correct SSSR count
201: ok 12207 # ring membership passed
201: ok 12208 # correct SSSR count
201: ok 12209 # ring membership passed
201: ok 12210 # correct SSSR count
201: ok 12211 # ring membership passed
201: ok 12212 # correct SSSR count
201: ok 12213 # ring membership passed
201: ok 12214 # correct SSSR count
201: ok 12215 # ring membership passed
201: ok 12216 # correct SSSR count
201: ok 12217 # ring membership passed
201: ok 12218 # correct SSSR count
201: ok 12219 # ring membership passed
201: ok 12220 # correct SSSR count
201: ok 12221 # ring membership passed
201: ok 12222 # correct SSSR count
201: ok 12223 # ring membership passed
201: ok 12224 # correct SSSR count
201: ok 12225 # ring membership passed
201: ok 12226 # correct SSSR count
201: ok 12227 # ring membership passed
201: ok 12228 # correct SSSR count
201: ok 12229 # ring membership passed
201: ok 12230 # correct SSSR count
201: ok 12231 # ring membership passed
201: ok 12232 # correct SSSR count
201: ok 12233 # ring membership passed
201: ok 12234 # correct SSSR count
201: ok 12235 # ring membership passed
201: ok 12236 # correct SSSR count
201: ok 12237 # ring membership passed
201: ok 12238 # correct SSSR count
201: ok 12239 # ring membership passed
201: ok 12240 # correct SSSR count
201: ok 12241 # ring membership passed
201: ok 12242 # correct ring bond data
201: ok 12243 # correct ring bond data
201: ok 12244 # correct ring bond data
201: ok 12245 # correct ring bond data
201: ok 12246 # correct ring bond data
201: ok 12247 # correct ring bond data
201: ok 12248 # correct ring bond data
201: ok 12249 # correct ring bond data
201: ok 12250 # correct ring bond data
201: ok 12251 # SSSR size matches reference
201: ok 12252 # correct SSSR count
201: ok 12253 # ring membership passed
201: ok 12254 # correct SSSR count
201: ok 12255 # ring membership passed
201: ok 12256 # correct SSSR count
201: ok 12257 # ring membership passed
201: ok 12258 # correct SSSR count
201: ok 12259 # ring membership passed
201: ok 12260 # correct SSSR count
201: ok 12261 # ring membership passed
201: ok 12262 # correct SSSR count
201: ok 12263 # ring membership passed
201: ok 12264 # correct SSSR count
201: ok 12265 # ring membership passed
201: ok 12266 # correct SSSR count
201: ok 12267 # ring membership passed
201: ok 12268 # correct SSSR count
201: ok 12269 # ring membership passed
201: ok 12270 # correct ring bond data
201: ok 12271 # correct ring bond data
201: ok 12272 # correct ring bond data
201: ok 12273 # correct ring bond data
201: ok 12274 # correct ring bond data
201: ok 12275 # correct ring bond data
201: ok 12276 # correct ring bond data
201: ok 12277 # correct ring bond data
201: ok 12278 # correct ring bond data
201: ok 12279 # correct ring bond data
201: ok 12280 # correct ring bond data
201: ok 12281 # correct ring bond data
201: ok 12282 # correct ring bond data
201: ok 12283 # correct ring bond data
201: ok 12284 # correct ring bond data
201: ok 12285 # correct ring bond data
201: ok 12286 # correct ring bond data
201: ok 12287 # correct ring bond data
201: ok 12288 # correct ring bond data
201: ok 12289 # correct ring bond data
201: ok 12290 # correct ring bond data
201: ok 12291 # correct ring bond data
201: ok 12292 # SSSR size matches reference
201: ok 12293 # correct SSSR count
201: ok 12294 # ring membership passed
201: ok 12295 # correct SSSR count
201: ok 12296 # ring membership passed
201: ok 12297 # correct SSSR count
201: ok 12298 # ring membership passed
201: ok 12299 # correct SSSR count
201: ok 12300 # ring membership passed
201: ok 12301 # correct SSSR count
201: ok 12302 # ring membership passed
201: ok 12303 # correct SSSR count
201: ok 12304 # ring membership passed
201: ok 12305 # correct SSSR count
201: ok 12306 # ring membership passed
201: ok 12307 # correct SSSR count
201: ok 12308 # ring membership passed
201: ok 12309 # correct SSSR count
201: ok 12310 # ring membership passed
201: ok 12311 # correct SSSR count
201: ok 12312 # ring membership passed
201: ok 12313 # correct SSSR count
201: ok 12314 # ring membership passed
201: ok 12315 # correct SSSR count
201: ok 12316 # ring membership passed
201: ok 12317 # correct SSSR count
201: ok 12318 # ring membership passed
201: ok 12319 # correct SSSR count
201: ok 12320 # ring membership passed
201: ok 12321 # correct SSSR count
201: ok 12322 # ring membership passed
201: ok 12323 # correct SSSR count
201: ok 12324 # ring membership passed
201: ok 12325 # correct SSSR count
201: ok 12326 # ring membership passed
201: ok 12327 # correct SSSR count
201: ok 12328 # ring membership passed
201: ok 12329 # correct SSSR count
201: ok 12330 # ring membership passed
201: ok 12331 # correct SSSR count
201: ok 12332 # ring membership passed
201: ok 12333 # correct SSSR count
201: ok 12334 # ring membership passed
201: ok 12335 # correct ring bond data
201: ok 12336 # correct ring bond data
201: ok 12337 # correct ring bond data
201: ok 12338 # correct ring bond data
201: ok 12339 # correct ring bond data
201: ok 12340 # correct ring bond data
201: ok 12341 # correct ring bond data
201: ok 12342 # correct ring bond data
201: ok 12343 # correct ring bond data
201: ok 12344 # correct ring bond data
201: ok 12345 # correct ring bond data
201: ok 12346 # correct ring bond data
201: ok 12347 # correct ring bond data
201: ok 12348 # correct ring bond data
201: ok 12349 # correct ring bond data
201: ok 12350 # correct ring bond data
201: ok 12351 # correct ring bond data
201: ok 12352 # correct ring bond data
201: ok 12353 # correct ring bond data
201: ok 12354 # correct ring bond data
201: ok 12355 # correct ring bond data
201: ok 12356 # correct ring bond data
201: ok 12357 # correct ring bond data
201: ok 12358 # correct ring bond data
201: ok 12359 # correct ring bond data
201: ok 12360 # correct ring bond data
201: ok 12361 # SSSR size matches reference
201: ok 12362 # correct SSSR count
201: ok 12363 # ring membership passed
201: ok 12364 # correct SSSR count
201: ok 12365 # ring membership passed
201: ok 12366 # correct SSSR count
201: ok 12367 # ring membership passed
201: ok 12368 # correct SSSR count
201: ok 12369 # ring membership passed
201: ok 12370 # correct SSSR count
201: ok 12371 # ring membership passed
201: ok 12372 # correct SSSR count
201: ok 12373 # ring membership passed
201: ok 12374 # correct SSSR count
201: ok 12375 # ring membership passed
201: ok 12376 # correct SSSR count
201: ok 12377 # ring membership passed
201: ok 12378 # correct SSSR count
201: ok 12379 # ring membership passed
201: ok 12380 # correct SSSR count
201: ok 12381 # ring membership passed
201: ok 12382 # correct SSSR count
201: ok 12383 # ring membership passed
201: ok 12384 # correct SSSR count
201: ok 12385 # ring membership passed
201: ok 12386 # correct SSSR count
201: ok 12387 # ring membership passed
201: ok 12388 # correct SSSR count
201: ok 12389 # ring membership passed
201: ok 12390 # correct SSSR count
201: ok 12391 # ring membership passed
201: ok 12392 # correct SSSR count
201: ok 12393 # ring membership passed
201: ok 12394 # correct SSSR count
201: ok 12395 # ring membership passed
201: ok 12396 # correct SSSR count
201: ok 12397 # ring membership passed
201: ok 12398 # correct SSSR count
201: ok 12399 # ring membership passed
201: ok 12400 # correct SSSR count
201: ok 12401 # ring membership passed
201: ok 12402 # correct SSSR count
201: ok 12403 # ring membership passed
201: ok 12404 # correct SSSR count
201: ok 12405 # ring membership passed
201: ok 12406 # correct SSSR count
201: ok 12407 # ring membership passed
201: ok 12408 # correct SSSR count
201: ok 12409 # ring membership passed
201: ok 12410 # correct SSSR count
201: ok 12411 # ring membership passed
201: ok 12412 # correct ring bond data
201: ok 12413 # correct ring bond data
201: ok 12414 # correct ring bond data
201: ok 12415 # correct ring bond data
201: ok 12416 # correct ring bond data
201: ok 12417 # correct ring bond data
201: ok 12418 # correct ring bond data
201: ok 12419 # correct ring bond data
201: ok 12420 # correct ring bond data
201: ok 12421 # correct ring bond data
201: ok 12422 # correct ring bond data
201: ok 12423 # correct ring bond data
201: ok 12424 # correct ring bond data
201: ok 12425 # correct ring bond data
201: ok 12426 # correct ring bond data
201: ok 12427 # correct ring bond data
201: ok 12428 # correct ring bond data
201: ok 12429 # correct ring bond data
201: ok 12430 # correct ring bond data
201: ok 12431 # correct ring bond data
201: ok 12432 # correct ring bond data
201: ok 12433 # correct ring bond data
201: ok 12434 # correct ring bond data
201: ok 12435 # correct ring bond data
201: ok 12436 # correct ring bond data
201: ok 12437 # correct ring bond data
201: ok 12438 # correct ring bond data
201: ok 12439 # correct ring bond data
201: ok 12440 # correct ring bond data
201: ok 12441 # SSSR size matches reference
201: ok 12442 # correct SSSR count
201: ok 12443 # ring membership passed
201: ok 12444 # correct SSSR count
201: ok 12445 # ring membership passed
201: ok 12446 # correct SSSR count
201: ok 12447 # ring membership passed
201: ok 12448 # correct SSSR count
201: ok 12449 # ring membership passed
201: ok 12450 # correct SSSR count
201: ok 12451 # ring membership passed
201: ok 12452 # correct SSSR count
201: ok 12453 # ring membership passed
201: ok 12454 # correct SSSR count
201: ok 12455 # ring membership passed
201: ok 12456 # correct SSSR count
201: ok 12457 # ring membership passed
201: ok 12458 # correct SSSR count
201: ok 12459 # ring membership passed
201: ok 12460 # correct SSSR count
201: ok 12461 # ring membership passed
201: ok 12462 # correct SSSR count
201: ok 12463 # ring membership passed
201: ok 12464 # correct SSSR count
201: ok 12465 # ring membership passed
201: ok 12466 # correct SSSR count
201: ok 12467 # ring membership passed
201: ok 12468 # correct SSSR count
201: ok 12469 # ring membership passed
201: ok 12470 # correct SSSR count
201: ok 12471 # ring membership passed
201: ok 12472 # correct SSSR count
201: ok 12473 # ring membership passed
201: ok 12474 # correct SSSR count
201: ok 12475 # ring membership passed
201: ok 12476 # correct SSSR count
201: ok 12477 # ring membership passed
201: ok 12478 # correct SSSR count
201: ok 12479 # ring membership passed
201: ok 12480 # correct SSSR count
201: ok 12481 # ring membership passed
201: ok 12482 # correct SSSR count
201: ok 12483 # ring membership passed
201: ok 12484 # correct SSSR count
201: ok 12485 # ring membership passed
201: ok 12486 # correct SSSR count
201: ok 12487 # ring membership passed
201: ok 12488 # correct SSSR count
201: ok 12489 # ring membership passed
201: ok 12490 # correct SSSR count
201: ok 12491 # ring membership passed
201: ok 12492 # correct SSSR count
201: ok 12493 # ring membership passed
201: ok 12494 # correct SSSR count
201: ok 12495 # ring membership passed
201: ok 12496 # correct SSSR count
201: ok 12497 # ring membership passed
201: ok 12498 # correct ring bond data
201: ok 12499 # correct ring bond data
201: ok 12500 # correct ring bond data
201: ok 12501 # correct ring bond data
201: ok 12502 # correct ring bond data
201: ok 12503 # correct ring bond data
201: ok 12504 # correct ring bond data
201: ok 12505 # correct ring bond data
201: ok 12506 # correct ring bond data
201: ok 12507 # correct ring bond data
201: ok 12508 # correct ring bond data
201: ok 12509 # correct ring bond data
201: ok 12510 # correct ring bond data
201: ok 12511 # correct ring bond data
201: ok 12512 # correct ring bond data
201: ok 12513 # correct ring bond data
201: ok 12514 # correct ring bond data
201: ok 12515 # correct ring bond data
201: ok 12516 # correct ring bond data
201: ok 12517 # correct ring bond data
201: ok 12518 # correct ring bond data
201: ok 12519 # correct ring bond data
201: ok 12520 # correct ring bond data
201: ok 12521 # correct ring bond data
201: ok 12522 # SSSR size matches reference
201: ok 12523 # correct SSSR count
201: ok 12524 # ring membership passed
201: ok 12525 # correct SSSR count
201: ok 12526 # ring membership passed
201: ok 12527 # correct SSSR count
201: ok 12528 # ring membership passed
201: ok 12529 # correct SSSR count
201: ok 12530 # ring membership passed
201: ok 12531 # correct SSSR count
201: ok 12532 # ring membership passed
201: ok 12533 # correct SSSR count
201: ok 12534 # ring membership passed
201: ok 12535 # correct SSSR count
201: ok 12536 # ring membership passed
201: ok 12537 # correct SSSR count
201: ok 12538 # ring membership passed
201: ok 12539 # correct SSSR count
201: ok 12540 # ring membership passed
201: ok 12541 # correct SSSR count
201: ok 12542 # ring membership passed
201: ok 12543 # correct SSSR count
201: ok 12544 # ring membership passed
201: ok 12545 # correct SSSR count
201: ok 12546 # ring membership passed
201: ok 12547 # correct SSSR count
201: ok 12548 # ring membership passed
201: ok 12549 # correct SSSR count
201: ok 12550 # ring membership passed
201: ok 12551 # correct SSSR count
201: ok 12552 # ring membership passed
201: ok 12553 # correct SSSR count
201: ok 12554 # ring membership passed
201: ok 12555 # correct SSSR count
201: ok 12556 # ring membership passed
201: ok 12557 # correct SSSR count
201: ok 12558 # ring membership passed
201: ok 12559 # correct SSSR count
201: ok 12560 # ring membership passed
201: ok 12561 # correct SSSR count
201: ok 12562 # ring membership passed
201: ok 12563 # correct SSSR count
201: ok 12564 # ring membership passed
201: ok 12565 # correct SSSR count
201: ok 12566 # ring membership passed
201: ok 12567 # correct SSSR count
201: ok 12568 # ring membership passed
201: ok 12569 # correct ring bond data
201: ok 12570 # correct ring bond data
201: ok 12571 # correct ring bond data
201: ok 12572 # correct ring bond data
201: ok 12573 # correct ring bond data
201: ok 12574 # correct ring bond data
201: ok 12575 # correct ring bond data
201: ok 12576 # correct ring bond data
201: ok 12577 # correct ring bond data
201: ok 12578 # correct ring bond data
201: ok 12579 # correct ring bond data
201: ok 12580 # correct ring bond data
201: ok 12581 # correct ring bond data
201: ok 12582 # correct ring bond data
201: ok 12583 # correct ring bond data
201: ok 12584 # SSSR size matches reference
201: ok 12585 # correct SSSR count
201: ok 12586 # ring membership passed
201: ok 12587 # correct SSSR count
201: ok 12588 # ring membership passed
201: ok 12589 # correct SSSR count
201: ok 12590 # ring membership passed
201: ok 12591 # correct SSSR count
201: ok 12592 # ring membership passed
201: ok 12593 # correct SSSR count
201: ok 12594 # ring membership passed
201: ok 12595 # correct SSSR count
201: ok 12596 # ring membership passed
201: ok 12597 # correct SSSR count
201: ok 12598 # ring membership passed
201: ok 12599 # correct SSSR count
201: ok 12600 # ring membership passed
201: ok 12601 # correct SSSR count
201: ok 12602 # ring membership passed
201: ok 12603 # correct SSSR count
201: ok 12604 # ring membership passed
201: ok 12605 # correct SSSR count
201: ok 12606 # ring membership passed
201: ok 12607 # correct SSSR count
201: ok 12608 # ring membership passed
201: ok 12609 # correct SSSR count
201: ok 12610 # ring membership passed
201: ok 12611 # correct SSSR count
201: ok 12612 # ring membership passed
201: ok 12613 # correct SSSR count
201: ok 12614 # ring membership passed
201: ok 12615 # correct ring bond data
201: ok 12616 # correct ring bond data
201: ok 12617 # correct ring bond data
201: ok 12618 # correct ring bond data
201: ok 12619 # correct ring bond data
201: ok 12620 # correct ring bond data
201: ok 12621 # correct ring bond data
201: ok 12622 # correct ring bond data
201: ok 12623 # correct ring bond data
201: ok 12624 # correct ring bond data
201: ok 12625 # correct ring bond data
201: ok 12626 # correct ring bond data
201: ok 12627 # correct ring bond data
201: ok 12628 # correct ring bond data
201: ok 12629 # correct ring bond data
201: ok 12630 # SSSR size matches reference
201: ok 12631 # correct SSSR count
201: ok 12632 # ring membership passed
201: ok 12633 # correct SSSR count
201: ok 12634 # ring membership passed
201: ok 12635 # correct SSSR count
201: ok 12636 # ring membership passed
201: ok 12637 # correct SSSR count
201: ok 12638 # ring membership passed
201: ok 12639 # correct SSSR count
201: ok 12640 # ring membership passed
201: ok 12641 # correct SSSR count
201: ok 12642 # ring membership passed
201: ok 12643 # correct SSSR count
201: ok 12644 # ring membership passed
201: ok 12645 # correct SSSR count
201: ok 12646 # ring membership passed
201: ok 12647 # correct SSSR count
201: ok 12648 # ring membership passed
201: ok 12649 # correct SSSR count
201: ok 12650 # ring membership passed
201: ok 12651 # correct SSSR count
201: ok 12652 # ring membership passed
201: ok 12653 # correct SSSR count
201: ok 12654 # ring membership passed
201: ok 12655 # correct SSSR count
201: ok 12656 # ring membership passed
201: ok 12657 # correct SSSR count
201: ok 12658 # ring membership passed
201: ok 12659 # correct SSSR count
201: ok 12660 # ring membership passed
201: ok 12661 # correct ring bond data
201: ok 12662 # correct ring bond data
201: ok 12663 # correct ring bond data
201: ok 12664 # correct ring bond data
201: ok 12665 # correct ring bond data
201: ok 12666 # correct ring bond data
201: ok 12667 # correct ring bond data
201: ok 12668 # correct ring bond data
201: ok 12669 # correct ring bond data
201: ok 12670 # correct ring bond data
201: ok 12671 # correct ring bond data
201: ok 12672 # correct ring bond data
201: ok 12673 # correct ring bond data
201: ok 12674 # correct ring bond data
201: ok 12675 # correct ring bond data
201: ok 12676 # correct ring bond data
201: ok 12677 # correct ring bond data
201: ok 12678 # correct ring bond data
201: ok 12679 # SSSR size matches reference
201: ok 12680 # correct SSSR count
201: ok 12681 # ring membership passed
201: ok 12682 # correct SSSR count
201: ok 12683 # ring membership passed
201: ok 12684 # correct SSSR count
201: ok 12685 # ring membership passed
201: ok 12686 # correct SSSR count
201: ok 12687 # ring membership passed
201: ok 12688 # correct SSSR count
201: ok 12689 # ring membership passed
201: ok 12690 # correct SSSR count
201: ok 12691 # ring membership passed
201: ok 12692 # correct SSSR count
201: ok 12693 # ring membership passed
201: ok 12694 # correct SSSR count
201: ok 12695 # ring membership passed
201: ok 12696 # correct SSSR count
201: ok 12697 # ring membership passed
201: ok 12698 # correct SSSR count
201: ok 12699 # ring membership passed
201: ok 12700 # correct SSSR count
201: ok 12701 # ring membership passed
201: ok 12702 # correct SSSR count
201: ok 12703 # ring membership passed
201: ok 12704 # correct SSSR count
201: ok 12705 # ring membership passed
201: ok 12706 # correct SSSR count
201: ok 12707 # ring membership passed
201: ok 12708 # correct SSSR count
201: ok 12709 # ring membership passed
201: ok 12710 # correct SSSR count
201: ok 12711 # ring membership passed
201: ok 12712 # correct SSSR count
201: ok 12713 # ring membership passed
201: ok 12714 # correct ring bond data
201: ok 12715 # correct ring bond data
201: ok 12716 # correct ring bond data
201: ok 12717 # correct ring bond data
201: ok 12718 # correct ring bond data
201: ok 12719 # correct ring bond data
201: ok 12720 # correct ring bond data
201: ok 12721 # correct ring bond data
201: ok 12722 # correct ring bond data
201: ok 12723 # correct ring bond data
201: ok 12724 # correct ring bond data
201: ok 12725 # correct ring bond data
201: ok 12726 # correct ring bond data
201: ok 12727 # correct ring bond data
201: ok 12728 # SSSR size matches reference
201: ok 12729 # correct SSSR count
201: ok 12730 # ring membership passed
201: ok 12731 # correct SSSR count
201: ok 12732 # ring membership passed
201: ok 12733 # correct SSSR count
201: ok 12734 # ring membership passed
201: ok 12735 # correct SSSR count
201: ok 12736 # ring membership passed
201: ok 12737 # correct SSSR count
201: ok 12738 # ring membership passed
201: ok 12739 # correct SSSR count
201: ok 12740 # ring membership passed
201: ok 12741 # correct SSSR count
201: ok 12742 # ring membership passed
201: ok 12743 # correct SSSR count
201: ok 12744 # ring membership passed
201: ok 12745 # correct SSSR count
201: ok 12746 # ring membership passed
201: ok 12747 # correct SSSR count
201: ok 12748 # ring membership passed
201: ok 12749 # correct SSSR count
201: ok 12750 # ring membership passed
201: ok 12751 # correct SSSR count
201: ok 12752 # ring membership passed
201: ok 12753 # correct SSSR count
201: ok 12754 # ring membership passed
201: ok 12755 # correct SSSR count
201: ok 12756 # ring membership passed
201: ok 12757 # correct ring bond data
201: ok 12758 # correct ring bond data
201: ok 12759 # correct ring bond data
201: ok 12760 # correct ring bond data
201: ok 12761 # correct ring bond data
201: ok 12762 # correct ring bond data
201: ok 12763 # correct ring bond data
201: ok 12764 # correct ring bond data
201: ok 12765 # SSSR size matches reference
201: ok 12766 # correct SSSR count
201: ok 12767 # ring membership passed
201: ok 12768 # correct SSSR count
201: ok 12769 # ring membership passed
201: ok 12770 # correct SSSR count
201: ok 12771 # ring membership passed
201: ok 12772 # correct SSSR count
201: ok 12773 # ring membership passed
201: ok 12774 # correct SSSR count
201: ok 12775 # ring membership passed
201: ok 12776 # correct SSSR count
201: ok 12777 # ring membership passed
201: ok 12778 # correct SSSR count
201: ok 12779 # ring membership passed
201: ok 12780 # correct SSSR count
201: ok 12781 # ring membership passed
201: ok 12782 # correct ring bond data
201: ok 12783 # correct ring bond data
201: ok 12784 # correct ring bond data
201: ok 12785 # correct ring bond data
201: ok 12786 # correct ring bond data
201: ok 12787 # correct ring bond data
201: ok 12788 # correct ring bond data
201: ok 12789 # correct ring bond data
201: ok 12790 # correct ring bond data
201: ok 12791 # correct ring bond data
201: ok 12792 # SSSR size matches reference
201: ok 12793 # correct SSSR count
201: ok 12794 # ring membership passed
201: ok 12795 # correct SSSR count
201: ok 12796 # ring membership passed
201: ok 12797 # correct SSSR count
201: ok 12798 # ring membership passed
201: ok 12799 # correct SSSR count
201: ok 12800 # ring membership passed
201: ok 12801 # correct SSSR count
201: ok 12802 # ring membership passed
201: ok 12803 # correct SSSR count
201: ok 12804 # ring membership passed
201: ok 12805 # correct SSSR count
201: ok 12806 # ring membership passed
201: ok 12807 # correct SSSR count
201: ok 12808 # ring membership passed
201: ok 12809 # correct SSSR count
201: ok 12810 # ring membership passed
201: ok 12811 # correct SSSR count
201: ok 12812 # ring membership passed
201: ok 12813 # correct ring bond data
201: ok 12814 # correct ring bond data
201: ok 12815 # correct ring bond data
201: ok 12816 # correct ring bond data
201: ok 12817 # correct ring bond data
201: ok 12818 # correct ring bond data
201: ok 12819 # correct ring bond data
201: ok 12820 # correct ring bond data
201: ok 12821 # correct ring bond data
201: ok 12822 # correct ring bond data
201: ok 12823 # correct ring bond data
201: ok 12824 # correct ring bond data
201: ok 12825 # correct ring bond data
201: ok 12826 # SSSR size matches reference
201: ok 12827 # correct SSSR count
201: ok 12828 # ring membership passed
201: ok 12829 # correct SSSR count
201: ok 12830 # ring membership passed
201: ok 12831 # correct SSSR count
201: ok 12832 # ring membership passed
201: ok 12833 # correct SSSR count
201: ok 12834 # ring membership passed
201: ok 12835 # correct SSSR count
201: ok 12836 # ring membership passed
201: ok 12837 # correct SSSR count
201: ok 12838 # ring membership passed
201: ok 12839 # correct SSSR count
201: ok 12840 # ring membership passed
201: ok 12841 # correct SSSR count
201: ok 12842 # ring membership passed
201: ok 12843 # correct SSSR count
201: ok 12844 # ring membership passed
201: ok 12845 # correct SSSR count
201: ok 12846 # ring membership passed
201: ok 12847 # correct SSSR count
201: ok 12848 # ring membership passed
201: ok 12849 # correct SSSR count
201: ok 12850 # ring membership passed
201: ok 12851 # correct SSSR count
201: ok 12852 # ring membership passed
201: ok 12853 # correct ring bond data
201: ok 12854 # correct ring bond data
201: ok 12855 # correct ring bond data
201: ok 12856 # correct ring bond data
201: ok 12857 # correct ring bond data
201: ok 12858 # correct ring bond data
201: ok 12859 # correct ring bond data
201: ok 12860 # correct ring bond data
201: ok 12861 # correct ring bond data
201: ok 12862 # SSSR size matches reference
201: ok 12863 # correct SSSR count
201: ok 12864 # ring membership passed
201: ok 12865 # correct SSSR count
201: ok 12866 # ring membership passed
201: ok 12867 # correct SSSR count
201: ok 12868 # ring membership passed
201: ok 12869 # correct SSSR count
201: ok 12870 # ring membership passed
201: ok 12871 # correct SSSR count
201: ok 12872 # ring membership passed
201: ok 12873 # correct SSSR count
201: ok 12874 # ring membership passed
201: ok 12875 # correct SSSR count
201: ok 12876 # ring membership passed
201: ok 12877 # correct SSSR count
201: ok 12878 # ring membership passed
201: ok 12879 # correct SSSR count
201: ok 12880 # ring membership passed
201: ok 12881 # correct ring bond data
201: ok 12882 # correct ring bond data
201: ok 12883 # correct ring bond data
201: ok 12884 # correct ring bond data
201: ok 12885 # correct ring bond data
201: ok 12886 # correct ring bond data
201: ok 12887 # correct ring bond data
201: ok 12888 # SSSR size matches reference
201: ok 12889 # correct SSSR count
201: ok 12890 # ring membership passed
201: ok 12891 # correct SSSR count
201: ok 12892 # ring membership passed
201: ok 12893 # correct SSSR count
201: ok 12894 # ring membership passed
201: ok 12895 # correct SSSR count
201: ok 12896 # ring membership passed
201: ok 12897 # correct SSSR count
201: ok 12898 # ring membership passed
201: ok 12899 # correct SSSR count
201: ok 12900 # ring membership passed
201: ok 12901 # correct SSSR count
201: ok 12902 # ring membership passed
201: ok 12903 # correct SSSR count
201: ok 12904 # ring membership passed
201: ok 12905 # correct ring bond data
201: ok 12906 # correct ring bond data
201: ok 12907 # correct ring bond data
201: ok 12908 # correct ring bond data
201: ok 12909 # correct ring bond data
201: ok 12910 # correct ring bond data
201: ok 12911 # correct ring bond data
201: ok 12912 # correct ring bond data
201: ok 12913 # correct ring bond data
201: ok 12914 # SSSR size matches reference
201: ok 12915 # correct SSSR count
201: ok 12916 # ring membership passed
201: ok 12917 # correct SSSR count
201: ok 12918 # ring membership passed
201: ok 12919 # correct SSSR count
201: ok 12920 # ring membership passed
201: ok 12921 # correct SSSR count
201: ok 12922 # ring membership passed
201: ok 12923 # correct SSSR count
201: ok 12924 # ring membership passed
201: ok 12925 # correct SSSR count
201: ok 12926 # ring membership passed
201: ok 12927 # correct SSSR count
201: ok 12928 # ring membership passed
201: ok 12929 # correct SSSR count
201: ok 12930 # ring membership passed
201: ok 12931 # correct SSSR count
201: ok 12932 # ring membership passed
201: ok 12933 # correct SSSR count
201: ok 12934 # ring membership passed
201: ok 12935 # correct ring bond data
201: ok 12936 # correct ring bond data
201: ok 12937 # correct ring bond data
201: ok 12938 # correct ring bond data
201: ok 12939 # correct ring bond data
201: ok 12940 # correct ring bond data
201: ok 12941 # correct ring bond data
201: ok 12942 # correct ring bond data
201: ok 12943 # correct ring bond data
201: ok 12944 # correct ring bond data
201: ok 12945 # correct ring bond data
201: ok 12946 # correct ring bond data
201: ok 12947 # SSSR size matches reference
201: ok 12948 # correct SSSR count
201: ok 12949 # ring membership passed
201: ok 12950 # correct SSSR count
201: ok 12951 # ring membership passed
201: ok 12952 # correct SSSR count
201: ok 12953 # ring membership passed
201: ok 12954 # correct SSSR count
201: ok 12955 # ring membership passed
201: ok 12956 # correct SSSR count
201: ok 12957 # ring membership passed
201: ok 12958 # correct SSSR count
201: ok 12959 # ring membership passed
201: ok 12960 # correct SSSR count
201: ok 12961 # ring membership passed
201: ok 12962 # correct SSSR count
201: ok 12963 # ring membership passed
201: ok 12964 # correct SSSR count
201: ok 12965 # ring membership passed
201: ok 12966 # correct SSSR count
201: ok 12967 # ring membership passed
201: ok 12968 # correct SSSR count
201: ok 12969 # ring membership passed
201: ok 12970 # correct SSSR count
201: ok 12971 # ring membership passed
201: ok 12972 # correct SSSR count
201: ok 12973 # ring membership passed
201: ok 12974 # correct ring bond data
201: ok 12975 # correct ring bond data
201: ok 12976 # correct ring bond data
201: ok 12977 # correct ring bond data
201: ok 12978 # correct ring bond data
201: ok 12979 # correct ring bond data
201: ok 12980 # correct ring bond data
201: ok 12981 # correct ring bond data
201: ok 12982 # correct ring bond data
201: ok 12983 # correct ring bond data
201: ok 12984 # correct ring bond data
201: ok 12985 # correct ring bond data
201: ok 12986 # correct ring bond data
201: ok 12987 # correct ring bond data
201: ok 12988 # correct ring bond data
201: ok 12989 # correct ring bond data
201: ok 12990 # correct ring bond data
201: ok 12991 # correct ring bond data
201: ok 12992 # correct ring bond data
201: ok 12993 # correct ring bond data
201: ok 12994 # correct ring bond data
201: ok 12995 # correct ring bond data
201: ok 12996 # correct ring bond data
201: ok 12997 # SSSR size matches reference
201: ok 12998 # correct SSSR count
201: ok 12999 # ring membership passed
201: ok 13000 # correct SSSR count
201: ok 13001 # ring membership passed
201: ok 13002 # correct SSSR count
201: ok 13003 # ring membership passed
201: ok 13004 # correct SSSR count
201: ok 13005 # ring membership passed
201: ok 13006 # correct SSSR count
201: ok 13007 # ring membership passed
201: ok 13008 # correct SSSR count
201: ok 13009 # ring membership passed
201: ok 13010 # correct SSSR count
201: ok 13011 # ring membership passed
201: ok 13012 # correct SSSR count
201: ok 13013 # ring membership passed
201: ok 13014 # correct SSSR count
201: ok 13015 # ring membership passed
201: ok 13016 # correct SSSR count
201: ok 13017 # ring membership passed
201: ok 13018 # correct SSSR count
201: ok 13019 # ring membership passed
201: ok 13020 # correct SSSR count
201: ok 13021 # ring membership passed
201: ok 13022 # correct SSSR count
201: ok 13023 # ring membership passed
201: ok 13024 # correct SSSR count
201: ok 13025 # ring membership passed
201: ok 13026 # correct SSSR count
201: ok 13027 # ring membership passed
201: ok 13028 # correct SSSR count
201: ok 13029 # ring membership passed
201: ok 13030 # correct SSSR count
201: ok 13031 # ring membership passed
201: ok 13032 # correct SSSR count
201: ok 13033 # ring membership passed
201: ok 13034 # correct SSSR count
201: ok 13035 # ring membership passed
201: ok 13036 # correct SSSR count
201: ok 13037 # ring membership passed
201: ok 13038 # correct SSSR count
201: ok 13039 # ring membership passed
201: ok 13040 # correct ring bond data
201: ok 13041 # correct ring bond data
201: ok 13042 # correct ring bond data
201: ok 13043 # correct ring bond data
201: ok 13044 # correct ring bond data
201: ok 13045 # correct ring bond data
201: ok 13046 # correct ring bond data
201: ok 13047 # correct ring bond data
201: ok 13048 # correct ring bond data
201: ok 13049 # correct ring bond data
201: ok 13050 # correct ring bond data
201: ok 13051 # correct ring bond data
201: ok 13052 # SSSR size matches reference
201: ok 13053 # correct SSSR count
201: ok 13054 # ring membership passed
201: ok 13055 # correct SSSR count
201: ok 13056 # ring membership passed
201: ok 13057 # correct SSSR count
201: ok 13058 # ring membership passed
201: ok 13059 # correct SSSR count
201: ok 13060 # ring membership passed
201: ok 13061 # correct SSSR count
201: ok 13062 # ring membership passed
201: ok 13063 # correct SSSR count
201: ok 13064 # ring membership passed
201: ok 13065 # correct SSSR count
201: ok 13066 # ring membership passed
201: ok 13067 # correct SSSR count
201: ok 13068 # ring membership passed
201: ok 13069 # correct SSSR count
201: ok 13070 # ring membership passed
201: ok 13071 # correct SSSR count
201: ok 13072 # ring membership passed
201: ok 13073 # correct SSSR count
201: ok 13074 # ring membership passed
201: ok 13075 # correct SSSR count
201: ok 13076 # ring membership passed
201: ok 13077 # correct ring bond data
201: ok 13078 # correct ring bond data
201: ok 13079 # correct ring bond data
201: ok 13080 # correct ring bond data
201: ok 13081 # correct ring bond data
201: ok 13082 # correct ring bond data
201: ok 13083 # correct ring bond data
201: ok 13084 # correct ring bond data
201: ok 13085 # correct ring bond data
201: ok 13086 # correct ring bond data
201: ok 13087 # correct ring bond data
201: ok 13088 # correct ring bond data
201: ok 13089 # correct ring bond data
201: ok 13090 # correct ring bond data
201: ok 13091 # correct ring bond data
201: ok 13092 # correct ring bond data
201: ok 13093 # correct ring bond data
201: ok 13094 # correct ring bond data
201: ok 13095 # correct ring bond data
201: ok 13096 # correct ring bond data
201: ok 13097 # correct ring bond data
201: ok 13098 # correct ring bond data
201: ok 13099 # SSSR size matches reference
201: ok 13100 # correct SSSR count
201: ok 13101 # ring membership passed
201: ok 13102 # correct SSSR count
201: ok 13103 # ring membership passed
201: ok 13104 # correct SSSR count
201: ok 13105 # ring membership passed
201: ok 13106 # correct SSSR count
201: ok 13107 # ring membership passed
201: ok 13108 # correct SSSR count
201: ok 13109 # ring membership passed
201: ok 13110 # correct SSSR count
201: ok 13111 # ring membership passed
201: ok 13112 # correct SSSR count
201: ok 13113 # ring membership passed
201: ok 13114 # correct SSSR count
201: ok 13115 # ring membership passed
201: ok 13116 # correct SSSR count
201: ok 13117 # ring membership passed
201: ok 13118 # correct SSSR count
201: ok 13119 # ring membership passed
201: ok 13120 # correct SSSR count
201: ok 13121 # ring membership passed
201: ok 13122 # correct SSSR count
201: ok 13123 # ring membership passed
201: ok 13124 # correct SSSR count
201: ok 13125 # ring membership passed
201: ok 13126 # correct SSSR count
201: ok 13127 # ring membership passed
201: ok 13128 # correct SSSR count
201: ok 13129 # ring membership passed
201: ok 13130 # correct SSSR count
201: ok 13131 # ring membership passed
201: ok 13132 # correct SSSR count
201: ok 13133 # ring membership passed
201: ok 13134 # correct SSSR count
201: ok 13135 # ring membership passed
201: ok 13136 # correct SSSR count
201: ok 13137 # ring membership passed
201: ok 13138 # correct ring bond data
201: ok 13139 # correct ring bond data
201: ok 13140 # correct ring bond data
201: ok 13141 # correct ring bond data
201: ok 13142 # correct ring bond data
201: ok 13143 # correct ring bond data
201: ok 13144 # correct ring bond data
201: ok 13145 # correct ring bond data
201: ok 13146 # correct ring bond data
201: ok 13147 # correct ring bond data
201: ok 13148 # SSSR size matches reference
201: ok 13149 # correct SSSR count
201: ok 13150 # ring membership passed
201: ok 13151 # correct SSSR count
201: ok 13152 # ring membership passed
201: ok 13153 # correct SSSR count
201: ok 13154 # ring membership passed
201: ok 13155 # correct SSSR count
201: ok 13156 # ring membership passed
201: ok 13157 # correct SSSR count
201: ok 13158 # ring membership passed
201: ok 13159 # correct SSSR count
201: ok 13160 # ring membership passed
201: ok 13161 # correct SSSR count
201: ok 13162 # ring membership passed
201: ok 13163 # correct SSSR count
201: ok 13164 # ring membership passed
201: ok 13165 # correct SSSR count
201: ok 13166 # ring membership passed
201: ok 13167 # correct SSSR count
201: ok 13168 # ring membership passed
201: ok 13169 # correct ring bond data
201: ok 13170 # correct ring bond data
201: ok 13171 # correct ring bond data
201: ok 13172 # correct ring bond data
201: ok 13173 # correct ring bond data
201: ok 13174 # correct ring bond data
201: ok 13175 # correct ring bond data
201: ok 13176 # correct ring bond data
201: ok 13177 # correct ring bond data
201: ok 13178 # correct ring bond data
201: ok 13179 # correct ring bond data
201: ok 13180 # correct ring bond data
201: ok 13181 # correct ring bond data
201: ok 13182 # correct ring bond data
201: ok 13183 # correct ring bond data
201: ok 13184 # correct ring bond data
201: ok 13185 # correct ring bond data
201: ok 13186 # correct ring bond data
201: ok 13187 # correct ring bond data
201: ok 13188 # correct ring bond data
201: ok 13189 # correct ring bond data
201: ok 13190 # correct ring bond data
201: ok 13191 # correct ring bond data
201: ok 13192 # correct ring bond data
201: ok 13193 # correct ring bond data
201: ok 13194 # correct ring bond data
201: ok 13195 # correct ring bond data
201: ok 13196 # correct ring bond data
201: ok 13197 # correct ring bond data
201: ok 13198 # correct ring bond data
201: ok 13199 # correct ring bond data
201: ok 13200 # correct ring bond data
201: ok 13201 # correct ring bond data
201: ok 13202 # correct ring bond data
201: ok 13203 # correct ring bond data
201: ok 13204 # correct ring bond data
201: ok 13205 # correct ring bond data
201: ok 13206 # correct ring bond data
201: ok 13207 # correct ring bond data
201: ok 13208 # correct ring bond data
201: ok 13209 # correct ring bond data
201: ok 13210 # correct ring bond data
201: ok 13211 # correct ring bond data
201: ok 13212 # correct ring bond data
201: ok 13213 # correct ring bond data
201: ok 13214 # correct ring bond data
201: ok 13215 # correct ring bond data
201: ok 13216 # correct ring bond data
201: ok 13217 # correct ring bond data
201: ok 13218 # correct ring bond data
201: ok 13219 # correct ring bond data
201: ok 13220 # correct ring bond data
201: ok 13221 # correct ring bond data
201: ok 13222 # correct ring bond data
201: ok 13223 # correct ring bond data
201: ok 13224 # correct ring bond data
201: ok 13225 # SSSR size matches reference
201: ok 13226 # correct SSSR count
201: ok 13227 # ring membership passed
201: ok 13228 # correct SSSR count
201: ok 13229 # ring membership passed
201: ok 13230 # correct SSSR count
201: ok 13231 # ring membership passed
201: ok 13232 # correct SSSR count
201: ok 13233 # ring membership passed
201: ok 13234 # correct SSSR count
201: ok 13235 # ring membership passed
201: ok 13236 # correct SSSR count
201: ok 13237 # ring membership passed
201: ok 13238 # correct SSSR count
201: ok 13239 # ring membership passed
201: ok 13240 # correct SSSR count
201: ok 13241 # ring membership passed
201: ok 13242 # correct SSSR count
201: ok 13243 # ring membership passed
201: ok 13244 # correct SSSR count
201: ok 13245 # ring membership passed
201: ok 13246 # correct SSSR count
201: ok 13247 # ring membership passed
201: ok 13248 # correct SSSR count
201: ok 13249 # ring membership passed
201: ok 13250 # correct SSSR count
201: ok 13251 # ring membership passed
201: ok 13252 # correct SSSR count
201: ok 13253 # ring membership passed
201: ok 13254 # correct SSSR count
201: ok 13255 # ring membership passed
201: ok 13256 # correct SSSR count
201: ok 13257 # ring membership passed
201: ok 13258 # correct SSSR count
201: ok 13259 # ring membership passed
201: ok 13260 # correct SSSR count
201: ok 13261 # ring membership passed
201: ok 13262 # correct SSSR count
201: ok 13263 # ring membership passed
201: ok 13264 # correct SSSR count
201: ok 13265 # ring membership passed
201: ok 13266 # correct SSSR count
201: ok 13267 # ring membership passed
201: ok 13268 # correct SSSR count
201: ok 13269 # ring membership passed
201: ok 13270 # correct SSSR count
201: ok 13271 # ring membership passed
201: ok 13272 # correct SSSR count
201: ok 13273 # ring membership passed
201: ok 13274 # correct SSSR count
201: ok 13275 # ring membership passed
201: ok 13276 # correct SSSR count
201: ok 13277 # ring membership passed
201: ok 13278 # correct SSSR count
201: ok 13279 # ring membership passed
201: ok 13280 # correct SSSR count
201: ok 13281 # ring membership passed
201: ok 13282 # correct SSSR count
201: ok 13283 # ring membership passed
201: ok 13284 # correct SSSR count
201: ok 13285 # ring membership passed
201: ok 13286 # correct SSSR count
201: ok 13287 # ring membership passed
201: ok 13288 # correct SSSR count
201: ok 13289 # ring membership passed
201: ok 13290 # correct SSSR count
201: ok 13291 # ring membership passed
201: ok 13292 # correct SSSR count
201: ok 13293 # ring membership passed
201: ok 13294 # correct SSSR count
201: ok 13295 # ring membership passed
201: ok 13296 # correct SSSR count
201: ok 13297 # ring membership passed
201: ok 13298 # correct SSSR count
201: ok 13299 # ring membership passed
201: ok 13300 # correct SSSR count
201: ok 13301 # ring membership passed
201: ok 13302 # correct SSSR count
201: ok 13303 # ring membership passed
201: ok 13304 # correct SSSR count
201: ok 13305 # ring membership passed
201: ok 13306 # correct SSSR count
201: ok 13307 # ring membership passed
201: ok 13308 # correct SSSR count
201: ok 13309 # ring membership passed
201: ok 13310 # correct SSSR count
201: ok 13311 # ring membership passed
201: ok 13312 # correct SSSR count
201: ok 13313 # ring membership passed
201: ok 13314 # correct SSSR count
201: ok 13315 # ring membership passed
201: ok 13316 # correct SSSR count
201: ok 13317 # ring membership passed
201: ok 13318 # correct SSSR count
201: ok 13319 # ring membership passed
201: ok 13320 # correct SSSR count
201: ok 13321 # ring membership passed
201: ok 13322 # correct SSSR count
201: ok 13323 # ring membership passed
201: ok 13324 # correct SSSR count
201: ok 13325 # ring membership passed
201: ok 13326 # correct SSSR count
201: ok 13327 # ring membership passed
201: ok 13328 # correct ring bond data
201: ok 13329 # correct ring bond data
201: ok 13330 # correct ring bond data
201: ok 13331 # correct ring bond data
201: ok 13332 # correct ring bond data
201: ok 13333 # correct ring bond data
201: ok 13334 # correct ring bond data
201: ok 13335 # correct ring bond data
201: ok 13336 # correct ring bond data
201: ok 13337 # correct ring bond data
201: ok 13338 # SSSR size matches reference
201: ok 13339 # correct SSSR count
201: ok 13340 # ring membership passed
201: ok 13341 # correct SSSR count
201: ok 13342 # ring membership passed
201: ok 13343 # correct SSSR count
201: ok 13344 # ring membership passed
201: ok 13345 # correct SSSR count
201: ok 13346 # ring membership passed
201: ok 13347 # correct SSSR count
201: ok 13348 # ring membership passed
201: ok 13349 # correct SSSR count
201: ok 13350 # ring membership passed
201: ok 13351 # correct SSSR count
201: ok 13352 # ring membership passed
201: ok 13353 # correct SSSR count
201: ok 13354 # ring membership passed
201: ok 13355 # correct SSSR count
201: ok 13356 # ring membership passed
201: ok 13357 # correct SSSR count
201: ok 13358 # ring membership passed
201: ok 13359 # correct ring bond data
201: ok 13360 # correct ring bond data
201: ok 13361 # correct ring bond data
201: ok 13362 # correct ring bond data
201: ok 13363 # correct ring bond data
201: ok 13364 # correct ring bond data
201: ok 13365 # correct ring bond data
201: ok 13366 # correct ring bond data
201: ok 13367 # correct ring bond data
201: ok 13368 # correct ring bond data
201: ok 13369 # correct ring bond data
201: ok 13370 # correct ring bond data
201: ok 13371 # correct ring bond data
201: ok 13372 # correct ring bond data
201: ok 13373 # correct ring bond data
201: ok 13374 # correct ring bond data
201: ok 13375 # correct ring bond data
201: ok 13376 # correct ring bond data
201: ok 13377 # correct ring bond data
201: ok 13378 # correct ring bond data
201: ok 13379 # correct ring bond data
201: ok 13380 # correct ring bond data
201: ok 13381 # correct ring bond data
201: ok 13382 # correct ring bond data
201: ok 13383 # correct ring bond data
201: ok 13384 # correct ring bond data
201: ok 13385 # correct ring bond data
201: ok 13386 # correct ring bond data
201: ok 13387 # correct ring bond data
201: ok 13388 # correct ring bond data
201: ok 13389 # correct ring bond data
201: ok 13390 # correct ring bond data
201: ok 13391 # correct ring bond data
201: ok 13392 # correct ring bond data
201: ok 13393 # correct ring bond data
201: ok 13394 # correct ring bond data
201: ok 13395 # correct ring bond data
201: ok 13396 # correct ring bond data
201: ok 13397 # correct ring bond data
201: ok 13398 # correct ring bond data
201: ok 13399 # correct ring bond data
201: ok 13400 # correct ring bond data
201: ok 13401 # correct ring bond data
201: ok 13402 # correct ring bond data
201: ok 13403 # SSSR size matches reference
201: ok 13404 # correct SSSR count
201: ok 13405 # ring membership passed
201: ok 13406 # correct SSSR count
201: ok 13407 # ring membership passed
201: ok 13408 # correct SSSR count
201: ok 13409 # ring membership passed
201: ok 13410 # correct SSSR count
201: ok 13411 # ring membership passed
201: ok 13412 # correct SSSR count
201: ok 13413 # ring membership passed
201: ok 13414 # correct SSSR count
201: ok 13415 # ring membership passed
201: ok 13416 # correct SSSR count
201: ok 13417 # ring membership passed
201: ok 13418 # correct SSSR count
201: ok 13419 # ring membership passed
201: ok 13420 # correct SSSR count
201: ok 13421 # ring membership passed
201: ok 13422 # correct SSSR count
201: ok 13423 # ring membership passed
201: ok 13424 # correct SSSR count
201: ok 13425 # ring membership passed
201: ok 13426 # correct SSSR count
201: ok 13427 # ring membership passed
201: ok 13428 # correct SSSR count
201: ok 13429 # ring membership passed
201: ok 13430 # correct SSSR count
201: ok 13431 # ring membership passed
201: ok 13432 # correct SSSR count
201: ok 13433 # ring membership passed
201: ok 13434 # correct SSSR count
201: ok 13435 # ring membership passed
201: ok 13436 # correct SSSR count
201: ok 13437 # ring membership passed
201: ok 13438 # correct SSSR count
201: ok 13439 # ring membership passed
201: ok 13440 # correct SSSR count
201: ok 13441 # ring membership passed
201: ok 13442 # correct SSSR count
201: ok 13443 # ring membership passed
201: ok 13444 # correct SSSR count
201: ok 13445 # ring membership passed
201: ok 13446 # correct SSSR count
201: ok 13447 # ring membership passed
201: ok 13448 # correct SSSR count
201: ok 13449 # ring membership passed
201: ok 13450 # correct SSSR count
201: ok 13451 # ring membership passed
201: ok 13452 # correct SSSR count
201: ok 13453 # ring membership passed
201: ok 13454 # correct SSSR count
201: ok 13455 # ring membership passed
201: ok 13456 # correct SSSR count
201: ok 13457 # ring membership passed
201: ok 13458 # correct SSSR count
201: ok 13459 # ring membership passed
201: ok 13460 # correct SSSR count
201: ok 13461 # ring membership passed
201: ok 13462 # correct SSSR count
201: ok 13463 # ring membership passed
201: ok 13464 # correct SSSR count
201: ok 13465 # ring membership passed
201: ok 13466 # correct SSSR count
201: ok 13467 # ring membership passed
201: ok 13468 # correct SSSR count
201: ok 13469 # ring membership passed
201: ok 13470 # correct SSSR count
201: ok 13471 # ring membership passed
201: ok 13472 # correct SSSR count
201: ok 13473 # ring membership passed
201: ok 13474 # correct SSSR count
201: ok 13475 # ring membership passed
201: ok 13476 # correct SSSR count
201: ok 13477 # ring membership passed
201: ok 13478 # correct SSSR count
201: ok 13479 # ring membership passed
201: ok 13480 # correct SSSR count
201: ok 13481 # ring membership passed
201: ok 13482 # correct SSSR count
201: ok 13483 # ring membership passed
201: ok 13484 # correct SSSR count
201: ok 13485 # ring membership passed
201: ok 13486 # correct ring bond data
201: ok 13487 # correct ring bond data
201: ok 13488 # correct ring bond data
201: ok 13489 # correct ring bond data
201: ok 13490 # correct ring bond data
201: ok 13491 # correct ring bond data
201: ok 13492 # correct ring bond data
201: ok 13493 # correct ring bond data
201: ok 13494 # correct ring bond data
201: ok 13495 # correct ring bond data
201: ok 13496 # correct ring bond data
201: ok 13497 # correct ring bond data
201: ok 13498 # correct ring bond data
201: ok 13499 # correct ring bond data
201: ok 13500 # correct ring bond data
201: ok 13501 # correct ring bond data
201: ok 13502 # correct ring bond data
201: ok 13503 # correct ring bond data
201: ok 13504 # correct ring bond data
201: ok 13505 # correct ring bond data
201: ok 13506 # correct ring bond data
201: ok 13507 # correct ring bond data
201: ok 13508 # correct ring bond data
201: ok 13509 # correct ring bond data
201: ok 13510 # correct ring bond data
201: ok 13511 # correct ring bond data
201: ok 13512 # correct ring bond data
201: ok 13513 # correct ring bond data
201: ok 13514 # correct ring bond data
201: ok 13515 # correct ring bond data
201: ok 13516 # correct ring bond data
201: ok 13517 # correct ring bond data
201: ok 13518 # correct ring bond data
201: ok 13519 # correct ring bond data
201: ok 13520 # correct ring bond data
201: ok 13521 # correct ring bond data
201: ok 13522 # correct ring bond data
201: ok 13523 # correct ring bond data
201: ok 13524 # SSSR size matches reference
201: ok 13525 # correct SSSR count
201: ok 13526 # ring membership passed
201: ok 13527 # correct SSSR count
201: ok 13528 # ring membership passed
201: ok 13529 # correct SSSR count
201: ok 13530 # ring membership passed
201: ok 13531 # correct SSSR count
201: ok 13532 # ring membership passed
201: ok 13533 # correct SSSR count
201: ok 13534 # ring membership passed
201: ok 13535 # correct SSSR count
201: ok 13536 # ring membership passed
201: ok 13537 # correct SSSR count
201: ok 13538 # ring membership passed
201: ok 13539 # correct SSSR count
201: ok 13540 # ring membership passed
201: ok 13541 # correct SSSR count
201: ok 13542 # ring membership passed
201: ok 13543 # correct SSSR count
201: ok 13544 # ring membership passed
201: ok 13545 # correct SSSR count
201: ok 13546 # ring membership passed
201: ok 13547 # correct SSSR count
201: ok 13548 # ring membership passed
201: ok 13549 # correct SSSR count
201: ok 13550 # ring membership passed
201: ok 13551 # correct SSSR count
201: ok 13552 # ring membership passed
201: ok 13553 # correct SSSR count
201: ok 13554 # ring membership passed
201: ok 13555 # correct SSSR count
201: ok 13556 # ring membership passed
201: ok 13557 # correct SSSR count
201: ok 13558 # ring membership passed
201: ok 13559 # correct SSSR count
201: ok 13560 # ring membership passed
201: ok 13561 # correct SSSR count
201: ok 13562 # ring membership passed
201: ok 13563 # correct SSSR count
201: ok 13564 # ring membership passed
201: ok 13565 # correct SSSR count
201: ok 13566 # ring membership passed
201: ok 13567 # correct SSSR count
201: ok 13568 # ring membership passed
201: ok 13569 # correct SSSR count
201: ok 13570 # ring membership passed
201: ok 13571 # correct SSSR count
201: ok 13572 # ring membership passed
201: ok 13573 # correct SSSR count
201: ok 13574 # ring membership passed
201: ok 13575 # correct SSSR count
201: ok 13576 # ring membership passed
201: ok 13577 # correct SSSR count
201: ok 13578 # ring membership passed
201: ok 13579 # correct SSSR count
201: ok 13580 # ring membership passed
201: ok 13581 # correct SSSR count
201: ok 13582 # ring membership passed
201: ok 13583 # correct SSSR count
201: ok 13584 # ring membership passed
201: ok 13585 # correct SSSR count
201: ok 13586 # ring membership passed
201: ok 13587 # correct SSSR count
201: ok 13588 # ring membership passed
201: ok 13589 # correct SSSR count
201: ok 13590 # ring membership passed
201: ok 13591 # correct SSSR count
201: ok 13592 # ring membership passed
201: ok 13593 # correct SSSR count
201: ok 13594 # ring membership passed
201: ok 13595 # correct SSSR count
201: ok 13596 # ring membership passed
201: ok 13597 # correct ring bond data
201: ok 13598 # correct ring bond data
201: ok 13599 # correct ring bond data
201: ok 13600 # correct ring bond data
201: ok 13601 # correct ring bond data
201: ok 13602 # correct ring bond data
201: ok 13603 # correct ring bond data
201: ok 13604 # correct ring bond data
201: ok 13605 # correct ring bond data
201: ok 13606 # correct ring bond data
201: ok 13607 # correct ring bond data
201: ok 13608 # correct ring bond data
201: ok 13609 # correct ring bond data
201: ok 13610 # correct ring bond data
201: ok 13611 # correct ring bond data
201: ok 13612 # correct ring bond data
201: ok 13613 # correct ring bond data
201: ok 13614 # correct ring bond data
201: ok 13615 # correct ring bond data
201: ok 13616 # correct ring bond data
201: ok 13617 # correct ring bond data
201: ok 13618 # correct ring bond data
201: ok 13619 # correct ring bond data
201: ok 13620 # correct ring bond data
201: ok 13621 # correct ring bond data
201: ok 13622 # correct ring bond data
201: ok 13623 # correct ring bond data
201: ok 13624 # correct ring bond data
201: ok 13625 # correct ring bond data
201: ok 13626 # correct ring bond data
201: ok 13627 # correct ring bond data
201: ok 13628 # correct ring bond data
201: ok 13629 # correct ring bond data
201: ok 13630 # correct ring bond data
201: ok 13631 # correct ring bond data
201: ok 13632 # correct ring bond data
201: ok 13633 # correct ring bond data
201: ok 13634 # correct ring bond data
201: ok 13635 # correct ring bond data
201: ok 13636 # correct ring bond data
201: ok 13637 # correct ring bond data
201: ok 13638 # correct ring bond data
201: ok 13639 # correct ring bond data
201: ok 13640 # correct ring bond data
201: ok 13641 # SSSR size matches reference
201: ok 13642 # correct SSSR count
201: ok 13643 # ring membership passed
201: ok 13644 # correct SSSR count
201: ok 13645 # ring membership passed
201: ok 13646 # correct SSSR count
201: ok 13647 # ring membership passed
201: ok 13648 # correct SSSR count
201: ok 13649 # ring membership passed
201: ok 13650 # correct SSSR count
201: ok 13651 # ring membership passed
201: ok 13652 # correct SSSR count
201: ok 13653 # ring membership passed
201: ok 13654 # correct SSSR count
201: ok 13655 # ring membership passed
201: ok 13656 # correct SSSR count
201: ok 13657 # ring membership passed
201: ok 13658 # correct SSSR count
201: ok 13659 # ring membership passed
201: ok 13660 # correct SSSR count
201: ok 13661 # ring membership passed
201: ok 13662 # correct SSSR count
201: ok 13663 # ring membership passed
201: ok 13664 # correct SSSR count
201: ok 13665 # ring membership passed
201: ok 13666 # correct SSSR count
201: ok 13667 # ring membership passed
201: ok 13668 # correct SSSR count
201: ok 13669 # ring membership passed
201: ok 13670 # correct SSSR count
201: ok 13671 # ring membership passed
201: ok 13672 # correct SSSR count
201: ok 13673 # ring membership passed
201: ok 13674 # correct SSSR count
201: ok 13675 # ring membership passed
201: ok 13676 # correct SSSR count
201: ok 13677 # ring membership passed
201: ok 13678 # correct SSSR count
201: ok 13679 # ring membership passed
201: ok 13680 # correct SSSR count
201: ok 13681 # ring membership passed
201: ok 13682 # correct SSSR count
201: ok 13683 # ring membership passed
201: ok 13684 # correct SSSR count
201: ok 13685 # ring membership passed
201: ok 13686 # correct SSSR count
201: ok 13687 # ring membership passed
201: ok 13688 # correct SSSR count
201: ok 13689 # ring membership passed
201: ok 13690 # correct SSSR count
201: ok 13691 # ring membership passed
201: ok 13692 # correct SSSR count
201: ok 13693 # ring membership passed
201: ok 13694 # correct SSSR count
201: ok 13695 # ring membership passed
201: ok 13696 # correct SSSR count
201: ok 13697 # ring membership passed
201: ok 13698 # correct SSSR count
201: ok 13699 # ring membership passed
201: ok 13700 # correct SSSR count
201: ok 13701 # ring membership passed
201: ok 13702 # correct SSSR count
201: ok 13703 # ring membership passed
201: ok 13704 # correct SSSR count
201: ok 13705 # ring membership passed
201: ok 13706 # correct SSSR count
201: ok 13707 # ring membership passed
201: ok 13708 # correct SSSR count
201: ok 13709 # ring membership passed
201: ok 13710 # correct SSSR count
201: ok 13711 # ring membership passed
201: ok 13712 # correct SSSR count
201: ok 13713 # ring membership passed
201: ok 13714 # correct SSSR count
201: ok 13715 # ring membership passed
201: ok 13716 # correct SSSR count
201: ok 13717 # ring membership passed
201: ok 13718 # correct SSSR count
201: ok 13719 # ring membership passed
201: ok 13720 # correct SSSR count
201: ok 13721 # ring membership passed
201: ok 13722 # correct ring bond data
201: ok 13723 # correct ring bond data
201: ok 13724 # correct ring bond data
201: ok 13725 # correct ring bond data
201: ok 13726 # correct ring bond data
201: ok 13727 # correct ring bond data
201: ok 13728 # correct ring bond data
201: ok 13729 # SSSR size matches reference
201: ok 13730 # correct SSSR count
201: ok 13731 # ring membership passed
201: ok 13732 # correct SSSR count
201: ok 13733 # ring membership passed
201: ok 13734 # correct SSSR count
201: ok 13735 # ring membership passed
201: ok 13736 # correct SSSR count
201: ok 13737 # ring membership passed
201: ok 13738 # correct SSSR count
201: ok 13739 # ring membership passed
201: ok 13740 # correct SSSR count
201: ok 13741 # ring membership passed
201: ok 13742 # correct SSSR count
201: ok 13743 # ring membership passed
201: ok 13744 # correct SSSR count
201: ok 13745 # ring membership passed
201: ok 13746 # correct ring bond data
201: ok 13747 # correct ring bond data
201: ok 13748 # correct ring bond data
201: ok 13749 # correct ring bond data
201: ok 13750 # correct ring bond data
201: ok 13751 # correct ring bond data
201: ok 13752 # correct ring bond data
201: ok 13753 # correct ring bond data
201: ok 13754 # correct ring bond data
201: ok 13755 # correct ring bond data
201: ok 13756 # correct ring bond data
201: ok 13757 # correct ring bond data
201: ok 13758 # correct ring bond data
201: ok 13759 # correct ring bond data
201: ok 13760 # correct ring bond data
201: ok 13761 # correct ring bond data
201: ok 13762 # correct ring bond data
201: ok 13763 # SSSR size matches reference
201: ok 13764 # correct SSSR count
201: ok 13765 # ring membership passed
201: ok 13766 # correct SSSR count
201: ok 13767 # ring membership passed
201: ok 13768 # correct SSSR count
201: ok 13769 # ring membership passed
201: ok 13770 # correct SSSR count
201: ok 13771 # ring membership passed
201: ok 13772 # correct SSSR count
201: ok 13773 # ring membership passed
201: ok 13774 # correct SSSR count
201: ok 13775 # ring membership passed
201: ok 13776 # correct SSSR count
201: ok 13777 # ring membership passed
201: ok 13778 # correct SSSR count
201: ok 13779 # ring membership passed
201: ok 13780 # correct SSSR count
201: ok 13781 # ring membership passed
201: ok 13782 # correct SSSR count
201: ok 13783 # ring membership passed
201: ok 13784 # correct SSSR count
201: ok 13785 # ring membership passed
201: ok 13786 # correct SSSR count
201: ok 13787 # ring membership passed
201: ok 13788 # correct SSSR count
201: ok 13789 # ring membership passed
201: ok 13790 # correct SSSR count
201: ok 13791 # ring membership passed
201: ok 13792 # correct SSSR count
201: ok 13793 # ring membership passed
201: ok 13794 # correct SSSR count
201: ok 13795 # ring membership passed
201: ok 13796 # correct ring bond data
201: ok 13797 # correct ring bond data
201: ok 13798 # correct ring bond data
201: ok 13799 # correct ring bond data
201: ok 13800 # correct ring bond data
201: ok 13801 # correct ring bond data
201: ok 13802 # correct ring bond data
201: ok 13803 # correct ring bond data
201: ok 13804 # correct ring bond data
201: ok 13805 # correct ring bond data
201: ok 13806 # SSSR size matches reference
201: ok 13807 # correct SSSR count
201: ok 13808 # ring membership passed
201: ok 13809 # correct SSSR count
201: ok 13810 # ring membership passed
201: ok 13811 # correct SSSR count
201: ok 13812 # ring membership passed
201: ok 13813 # correct SSSR count
201: ok 13814 # ring membership passed
201: ok 13815 # correct SSSR count
201: ok 13816 # ring membership passed
201: ok 13817 # correct SSSR count
201: ok 13818 # ring membership passed
201: ok 13819 # correct SSSR count
201: ok 13820 # ring membership passed
201: ok 13821 # correct SSSR count
201: ok 13822 # ring membership passed
201: ok 13823 # correct SSSR count
201: ok 13824 # ring membership passed
201: ok 13825 # correct SSSR count
201: ok 13826 # ring membership passed
201: ok 13827 # correct ring bond data
201: ok 13828 # correct ring bond data
201: ok 13829 # correct ring bond data
201: ok 13830 # correct ring bond data
201: ok 13831 # correct ring bond data
201: ok 13832 # correct ring bond data
201: ok 13833 # correct ring bond data
201: ok 13834 # correct ring bond data
201: ok 13835 # correct ring bond data
201: ok 13836 # correct ring bond data
201: ok 13837 # correct ring bond data
201: ok 13838 # correct ring bond data
201: ok 13839 # correct ring bond data
201: ok 13840 # correct ring bond data
201: ok 13841 # correct ring bond data
201: ok 13842 # correct ring bond data
201: ok 13843 # correct ring bond data
201: ok 13844 # SSSR size matches reference
201: ok 13845 # correct SSSR count
201: ok 13846 # ring membership passed
201: ok 13847 # correct SSSR count
201: ok 13848 # ring membership passed
201: ok 13849 # correct SSSR count
201: ok 13850 # ring membership passed
201: ok 13851 # correct SSSR count
201: ok 13852 # ring membership passed
201: ok 13853 # correct SSSR count
201: ok 13854 # ring membership passed
201: ok 13855 # correct SSSR count
201: ok 13856 # ring membership passed
201: ok 13857 # correct SSSR count
201: ok 13858 # ring membership passed
201: ok 13859 # correct SSSR count
201: ok 13860 # ring membership passed
201: ok 13861 # correct SSSR count
201: ok 13862 # ring membership passed
201: ok 13863 # correct SSSR count
201: ok 13864 # ring membership passed
201: ok 13865 # correct SSSR count
201: ok 13866 # ring membership passed
201: ok 13867 # correct SSSR count
201: ok 13868 # ring membership passed
201: ok 13869 # correct SSSR count
201: ok 13870 # ring membership passed
201: ok 13871 # correct SSSR count
201: ok 13872 # ring membership passed
201: ok 13873 # correct SSSR count
201: ok 13874 # ring membership passed
201: ok 13875 # correct SSSR count
201: ok 13876 # ring membership passed
201: ok 13877 # correct ring bond data
201: ok 13878 # correct ring bond data
201: ok 13879 # correct ring bond data
201: ok 13880 # correct ring bond data
201: ok 13881 # correct ring bond data
201: ok 13882 # correct ring bond data
201: ok 13883 # correct ring bond data
201: ok 13884 # correct ring bond data
201: ok 13885 # correct ring bond data
201: ok 13886 # correct ring bond data
201: ok 13887 # correct ring bond data
201: ok 13888 # correct ring bond data
201: ok 13889 # correct ring bond data
201: ok 13890 # correct ring bond data
201: ok 13891 # correct ring bond data
201: ok 13892 # correct ring bond data
201: ok 13893 # correct ring bond data
201: ok 13894 # correct ring bond data
201: ok 13895 # correct ring bond data
201: ok 13896 # correct ring bond data
201: ok 13897 # correct ring bond data
201: ok 13898 # SSSR size matches reference
201: ok 13899 # correct SSSR count
201: ok 13900 # ring membership passed
201: ok 13901 # correct SSSR count
201: ok 13902 # ring membership passed
201: ok 13903 # correct SSSR count
201: ok 13904 # ring membership passed
201: ok 13905 # correct SSSR count
201: ok 13906 # ring membership passed
201: ok 13907 # correct SSSR count
201: ok 13908 # ring membership passed
201: ok 13909 # correct SSSR count
201: ok 13910 # ring membership passed
201: ok 13911 # correct SSSR count
201: ok 13912 # ring membership passed
201: ok 13913 # correct SSSR count
201: ok 13914 # ring membership passed
201: ok 13915 # correct SSSR count
201: ok 13916 # ring membership passed
201: ok 13917 # correct SSSR count
201: ok 13918 # ring membership passed
201: ok 13919 # correct SSSR count
201: ok 13920 # ring membership passed
201: ok 13921 # correct SSSR count
201: ok 13922 # ring membership passed
201: ok 13923 # correct SSSR count
201: ok 13924 # ring membership passed
201: ok 13925 # correct SSSR count
201: ok 13926 # ring membership passed
201: ok 13927 # correct SSSR count
201: ok 13928 # ring membership passed
201: ok 13929 # correct SSSR count
201: ok 13930 # ring membership passed
201: ok 13931 # correct SSSR count
201: ok 13932 # ring membership passed
201: ok 13933 # correct SSSR count
201: ok 13934 # ring membership passed
201: ok 13935 # correct SSSR count
201: ok 13936 # ring membership passed
201: ok 13937 # correct ring bond data
201: ok 13938 # correct ring bond data
201: ok 13939 # correct ring bond data
201: ok 13940 # correct ring bond data
201: ok 13941 # correct ring bond data
201: ok 13942 # correct ring bond data
201: ok 13943 # correct ring bond data
201: ok 13944 # correct ring bond data
201: ok 13945 # correct ring bond data
201: ok 13946 # correct ring bond data
201: ok 13947 # correct ring bond data
201: ok 13948 # correct ring bond data
201: ok 13949 # correct ring bond data
201: ok 13950 # correct ring bond data
201: ok 13951 # correct ring bond data
201: ok 13952 # SSSR size matches reference
201: ok 13953 # correct SSSR count
201: ok 13954 # ring membership passed
201: ok 13955 # correct SSSR count
201: ok 13956 # ring membership passed
201: ok 13957 # correct SSSR count
201: ok 13958 # ring membership passed
201: ok 13959 # correct SSSR count
201: ok 13960 # ring membership passed
201: ok 13961 # correct SSSR count
201: ok 13962 # ring membership passed
201: ok 13963 # correct SSSR count
201: ok 13964 # ring membership passed
201: ok 13965 # correct SSSR count
201: ok 13966 # ring membership passed
201: ok 13967 # correct SSSR count
201: ok 13968 # ring membership passed
201: ok 13969 # correct SSSR count
201: ok 13970 # ring membership passed
201: ok 13971 # correct SSSR count
201: ok 13972 # ring membership passed
201: ok 13973 # correct SSSR count
201: ok 13974 # ring membership passed
201: ok 13975 # correct SSSR count
201: ok 13976 # ring membership passed
201: ok 13977 # correct SSSR count
201: ok 13978 # ring membership passed
201: ok 13979 # correct SSSR count
201: ok 13980 # ring membership passed
201: ok 13981 # correct ring bond data
201: ok 13982 # correct ring bond data
201: ok 13983 # correct ring bond data
201: ok 13984 # correct ring bond data
201: ok 13985 # correct ring bond data
201: ok 13986 # correct ring bond data
201: ok 13987 # correct ring bond data
201: ok 13988 # correct ring bond data
201: ok 13989 # correct ring bond data
201: ok 13990 # correct ring bond data
201: ok 13991 # correct ring bond data
201: ok 13992 # SSSR size matches reference
201: ok 13993 # correct SSSR count
201: ok 13994 # ring membership passed
201: ok 13995 # correct SSSR count
201: ok 13996 # ring membership passed
201: ok 13997 # correct SSSR count
201: ok 13998 # ring membership passed
201: ok 13999 # correct SSSR count
201: ok 14000 # ring membership passed
201: ok 14001 # correct SSSR count
201: ok 14002 # ring membership passed
201: ok 14003 # correct SSSR count
201: ok 14004 # ring membership passed
201: ok 14005 # correct SSSR count
201: ok 14006 # ring membership passed
201: ok 14007 # correct SSSR count
201: ok 14008 # ring membership passed
201: ok 14009 # correct SSSR count
201: ok 14010 # ring membership passed
201: ok 14011 # correct SSSR count
201: ok 14012 # ring membership passed
201: ok 14013 # correct SSSR count
201: ok 14014 # ring membership passed
201: ok 14015 # correct ring bond data
201: ok 14016 # correct ring bond data
201: ok 14017 # correct ring bond data
201: ok 14018 # correct ring bond data
201: ok 14019 # correct ring bond data
201: ok 14020 # correct ring bond data
201: ok 14021 # correct ring bond data
201: ok 14022 # correct ring bond data
201: ok 14023 # correct ring bond data
201: ok 14024 # correct ring bond data
201: ok 14025 # correct ring bond data
201: ok 14026 # correct ring bond data
201: ok 14027 # correct ring bond data
201: ok 14028 # correct ring bond data
201: ok 14029 # correct ring bond data
201: ok 14030 # correct ring bond data
201: ok 14031 # correct ring bond data
201: ok 14032 # correct ring bond data
201: ok 14033 # correct ring bond data
201: ok 14034 # correct ring bond data
201: ok 14035 # correct ring bond data
201: ok 14036 # correct ring bond data
201: ok 14037 # SSSR size matches reference
201: ok 14038 # correct SSSR count
201: ok 14039 # ring membership passed
201: ok 14040 # correct SSSR count
201: ok 14041 # ring membership passed
201: ok 14042 # correct SSSR count
201: ok 14043 # ring membership passed
201: ok 14044 # correct SSSR count
201: ok 14045 # ring membership passed
201: ok 14046 # correct SSSR count
201: ok 14047 # ring membership passed
201: ok 14048 # correct SSSR count
201: ok 14049 # ring membership passed
201: ok 14050 # correct SSSR count
201: ok 14051 # ring membership passed
201: ok 14052 # correct SSSR count
201: ok 14053 # ring membership passed
201: ok 14054 # correct SSSR count
201: ok 14055 # ring membership passed
201: ok 14056 # correct SSSR count
201: ok 14057 # ring membership passed
201: ok 14058 # correct SSSR count
201: ok 14059 # ring membership passed
201: ok 14060 # correct SSSR count
201: ok 14061 # ring membership passed
201: ok 14062 # correct SSSR count
201: ok 14063 # ring membership passed
201: ok 14064 # correct SSSR count
201: ok 14065 # ring membership passed
201: ok 14066 # correct SSSR count
201: ok 14067 # ring membership passed
201: ok 14068 # correct SSSR count
201: ok 14069 # ring membership passed
201: ok 14070 # correct SSSR count
201: ok 14071 # ring membership passed
201: ok 14072 # correct SSSR count
201: ok 14073 # ring membership passed
201: ok 14074 # correct SSSR count
201: ok 14075 # ring membership passed
201: ok 14076 # correct ring bond data
201: ok 14077 # correct ring bond data
201: ok 14078 # correct ring bond data
201: ok 14079 # correct ring bond data
201: ok 14080 # correct ring bond data
201: ok 14081 # correct ring bond data
201: ok 14082 # correct ring bond data
201: ok 14083 # correct ring bond data
201: ok 14084 # correct ring bond data
201: ok 14085 # correct ring bond data
201: ok 14086 # correct ring bond data
201: ok 14087 # correct ring bond data
201: ok 14088 # correct ring bond data
201: ok 14089 # correct ring bond data
201: ok 14090 # correct ring bond data
201: ok 14091 # correct ring bond data
201: ok 14092 # correct ring bond data
201: ok 14093 # correct ring bond data
201: ok 14094 # correct ring bond data
201: ok 14095 # correct ring bond data
201: ok 14096 # correct ring bond data
201: ok 14097 # correct ring bond data
201: ok 14098 # correct ring bond data
201: ok 14099 # correct ring bond data
201: ok 14100 # correct ring bond data
201: ok 14101 # correct ring bond data
201: ok 14102 # correct ring bond data
201: ok 14103 # correct ring bond data
201: ok 14104 # correct ring bond data
201: ok 14105 # correct ring bond data
201: ok 14106 # correct ring bond data
201: ok 14107 # SSSR size matches reference
201: ok 14108 # correct SSSR count
201: ok 14109 # ring membership passed
201: ok 14110 # correct SSSR count
201: ok 14111 # ring membership passed
201: ok 14112 # correct SSSR count
201: ok 14113 # ring membership passed
201: ok 14114 # correct SSSR count
201: ok 14115 # ring membership passed
201: ok 14116 # correct SSSR count
201: ok 14117 # ring membership passed
201: ok 14118 # correct SSSR count
201: ok 14119 # ring membership passed
201: ok 14120 # correct SSSR count
201: ok 14121 # ring membership passed
201: ok 14122 # correct SSSR count
201: ok 14123 # ring membership passed
201: ok 14124 # correct SSSR count
201: ok 14125 # ring membership passed
201: ok 14126 # correct SSSR count
201: ok 14127 # ring membership passed
201: ok 14128 # correct SSSR count
201: ok 14129 # ring membership passed
201: ok 14130 # correct SSSR count
201: ok 14131 # ring membership passed
201: ok 14132 # correct SSSR count
201: ok 14133 # ring membership passed
201: ok 14134 # correct SSSR count
201: ok 14135 # ring membership passed
201: ok 14136 # correct SSSR count
201: ok 14137 # ring membership passed
201: ok 14138 # correct SSSR count
201: ok 14139 # ring membership passed
201: ok 14140 # correct SSSR count
201: ok 14141 # ring membership passed
201: ok 14142 # correct SSSR count
201: ok 14143 # ring membership passed
201: ok 14144 # correct SSSR count
201: ok 14145 # ring membership passed
201: ok 14146 # correct SSSR count
201: ok 14147 # ring membership passed
201: ok 14148 # correct SSSR count
201: ok 14149 # ring membership passed
201: ok 14150 # correct SSSR count
201: ok 14151 # ring membership passed
201: ok 14152 # correct SSSR count
201: ok 14153 # ring membership passed
201: ok 14154 # correct SSSR count
201: ok 14155 # ring membership passed
201: ok 14156 # correct SSSR count
201: ok 14157 # ring membership passed
201: ok 14158 # correct SSSR count
201: ok 14159 # ring membership passed
201: ok 14160 # correct SSSR count
201: ok 14161 # ring membership passed
201: ok 14162 # correct SSSR count
201: ok 14163 # ring membership passed
201: ok 14164 # correct ring bond data
201: ok 14165 # correct ring bond data
201: ok 14166 # correct ring bond data
201: ok 14167 # correct ring bond data
201: ok 14168 # correct ring bond data
201: ok 14169 # correct ring bond data
201: ok 14170 # correct ring bond data
201: ok 14171 # correct ring bond data
201: ok 14172 # correct ring bond data
201: ok 14173 # correct ring bond data
201: ok 14174 # correct ring bond data
201: ok 14175 # correct ring bond data
201: ok 14176 # correct ring bond data
201: ok 14177 # correct ring bond data
201: ok 14178 # correct ring bond data
201: ok 14179 # correct ring bond data
201: ok 14180 # correct ring bond data
201: ok 14181 # correct ring bond data
201: ok 14182 # correct ring bond data
201: ok 14183 # correct ring bond data
201: ok 14184 # correct ring bond data
201: ok 14185 # correct ring bond data
201: ok 14186 # correct ring bond data
201: ok 14187 # SSSR size matches reference
201: ok 14188 # correct SSSR count
201: ok 14189 # ring membership passed
201: ok 14190 # correct SSSR count
201: ok 14191 # ring membership passed
201: ok 14192 # correct SSSR count
201: ok 14193 # ring membership passed
201: ok 14194 # correct SSSR count
201: ok 14195 # ring membership passed
201: ok 14196 # correct SSSR count
201: ok 14197 # ring membership passed
201: ok 14198 # correct SSSR count
201: ok 14199 # ring membership passed
201: ok 14200 # correct SSSR count
201: ok 14201 # ring membership passed
201: ok 14202 # correct SSSR count
201: ok 14203 # ring membership passed
201: ok 14204 # correct SSSR count
201: ok 14205 # ring membership passed
201: ok 14206 # correct SSSR count
201: ok 14207 # ring membership passed
201: ok 14208 # correct SSSR count
201: ok 14209 # ring membership passed
201: ok 14210 # correct SSSR count
201: ok 14211 # ring membership passed
201: ok 14212 # correct SSSR count
201: ok 14213 # ring membership passed
201: ok 14214 # correct SSSR count
201: ok 14215 # ring membership passed
201: ok 14216 # correct SSSR count
201: ok 14217 # ring membership passed
201: ok 14218 # correct SSSR count
201: ok 14219 # ring membership passed
201: ok 14220 # correct SSSR count
201: ok 14221 # ring membership passed
201: ok 14222 # correct SSSR count
201: ok 14223 # ring membership passed
201: ok 14224 # correct SSSR count
201: ok 14225 # ring membership passed
201: ok 14226 # correct SSSR count
201: ok 14227 # ring membership passed
201: ok 14228 # correct SSSR count
201: ok 14229 # ring membership passed
201: ok 14230 # correct SSSR count
201: ok 14231 # ring membership passed
201: ok 14232 # correct ring bond data
201: ok 14233 # correct ring bond data
201: ok 14234 # correct ring bond data
201: ok 14235 # correct ring bond data
201: ok 14236 # correct ring bond data
201: ok 14237 # correct ring bond data
201: ok 14238 # correct ring bond data
201: ok 14239 # correct ring bond data
201: ok 14240 # correct ring bond data
201: ok 14241 # correct ring bond data
201: ok 14242 # correct ring bond data
201: ok 14243 # correct ring bond data
201: ok 14244 # correct ring bond data
201: ok 14245 # correct ring bond data
201: ok 14246 # correct ring bond data
201: ok 14247 # correct ring bond data
201: ok 14248 # SSSR size matches reference
201: ok 14249 # correct SSSR count
201: ok 14250 # ring membership passed
201: ok 14251 # correct SSSR count
201: ok 14252 # ring membership passed
201: ok 14253 # correct SSSR count
201: ok 14254 # ring membership passed
201: ok 14255 # correct SSSR count
201: ok 14256 # ring membership passed
201: ok 14257 # correct SSSR count
201: ok 14258 # ring membership passed
201: ok 14259 # correct SSSR count
201: ok 14260 # ring membership passed
201: ok 14261 # correct SSSR count
201: ok 14262 # ring membership passed
201: ok 14263 # correct SSSR count
201: ok 14264 # ring membership passed
201: ok 14265 # correct SSSR count
201: ok 14266 # ring membership passed
201: ok 14267 # correct SSSR count
201: ok 14268 # ring membership passed
201: ok 14269 # correct SSSR count
201: ok 14270 # ring membership passed
201: ok 14271 # correct SSSR count
201: ok 14272 # ring membership passed
201: ok 14273 # correct SSSR count
201: ok 14274 # ring membership passed
201: ok 14275 # correct SSSR count
201: ok 14276 # ring membership passed
201: ok 14277 # correct SSSR count
201: ok 14278 # ring membership passed
201: ok 14279 # correct ring bond data
201: ok 14280 # correct ring bond data
201: ok 14281 # correct ring bond data
201: ok 14282 # correct ring bond data
201: ok 14283 # correct ring bond data
201: ok 14284 # correct ring bond data
201: ok 14285 # correct ring bond data
201: ok 14286 # correct ring bond data
201: ok 14287 # correct ring bond data
201: ok 14288 # correct ring bond data
201: ok 14289 # correct ring bond data
201: ok 14290 # correct ring bond data
201: ok 14291 # correct ring bond data
201: ok 14292 # correct ring bond data
201: ok 14293 # correct ring bond data
201: ok 14294 # correct ring bond data
201: ok 14295 # correct ring bond data
201: ok 14296 # correct ring bond data
201: ok 14297 # correct ring bond data
201: ok 14298 # correct ring bond data
201: ok 14299 # correct ring bond data
201: ok 14300 # correct ring bond data
201: ok 14301 # correct ring bond data
201: ok 14302 # correct ring bond data
201: ok 14303 # correct ring bond data
201: ok 14304 # correct ring bond data
201: ok 14305 # correct ring bond data
201: ok 14306 # correct ring bond data
201: ok 14307 # correct ring bond data
201: ok 14308 # correct ring bond data
201: ok 14309 # correct ring bond data
201: ok 14310 # correct ring bond data
201: ok 14311 # correct ring bond data
201: ok 14312 # correct ring bond data
201: ok 14313 # correct ring bond data
201: ok 14314 # correct ring bond data
201: ok 14315 # correct ring bond data
201: ok 14316 # correct ring bond data
201: ok 14317 # correct ring bond data
201: ok 14318 # correct ring bond data
201: ok 14319 # correct ring bond data
201: ok 14320 # correct ring bond data
201: ok 14321 # correct ring bond data
201: ok 14322 # correct ring bond data
201: ok 14323 # correct ring bond data
201: ok 14324 # correct ring bond data
201: ok 14325 # correct ring bond data
201: ok 14326 # SSSR size matches reference
201: ok 14327 # correct SSSR count
201: ok 14328 # ring membership passed
201: ok 14329 # correct SSSR count
201: ok 14330 # ring membership passed
201: ok 14331 # correct SSSR count
201: ok 14332 # ring membership passed
201: ok 14333 # correct SSSR count
201: ok 14334 # ring membership passed
201: ok 14335 # correct SSSR count
201: ok 14336 # ring membership passed
201: ok 14337 # correct SSSR count
201: ok 14338 # ring membership passed
201: ok 14339 # correct SSSR count
201: ok 14340 # ring membership passed
201: ok 14341 # correct SSSR count
201: ok 14342 # ring membership passed
201: ok 14343 # correct SSSR count
201: ok 14344 # ring membership passed
201: ok 14345 # correct SSSR count
201: ok 14346 # ring membership passed
201: ok 14347 # correct SSSR count
201: ok 14348 # ring membership passed
201: ok 14349 # correct SSSR count
201: ok 14350 # ring membership passed
201: ok 14351 # correct SSSR count
201: ok 14352 # ring membership passed
201: ok 14353 # correct SSSR count
201: ok 14354 # ring membership passed
201: ok 14355 # correct SSSR count
201: ok 14356 # ring membership passed
201: ok 14357 # correct SSSR count
201: ok 14358 # ring membership passed
201: ok 14359 # correct SSSR count
201: ok 14360 # ring membership passed
201: ok 14361 # correct SSSR count
201: ok 14362 # ring membership passed
201: ok 14363 # correct SSSR count
201: ok 14364 # ring membership passed
201: ok 14365 # correct SSSR count
201: ok 14366 # ring membership passed
201: ok 14367 # correct SSSR count
201: ok 14368 # ring membership passed
201: ok 14369 # correct SSSR count
201: ok 14370 # ring membership passed
201: ok 14371 # correct SSSR count
201: ok 14372 # ring membership passed
201: ok 14373 # correct SSSR count
201: ok 14374 # ring membership passed
201: ok 14375 # correct SSSR count
201: ok 14376 # ring membership passed
201: ok 14377 # correct SSSR count
201: ok 14378 # ring membership passed
201: ok 14379 # correct SSSR count
201: ok 14380 # ring membership passed
201: ok 14381 # correct SSSR count
201: ok 14382 # ring membership passed
201: ok 14383 # correct SSSR count
201: ok 14384 # ring membership passed
201: ok 14385 # correct SSSR count
201: ok 14386 # ring membership passed
201: ok 14387 # correct SSSR count
201: ok 14388 # ring membership passed
201: ok 14389 # correct SSSR count
201: ok 14390 # ring membership passed
201: ok 14391 # correct SSSR count
201: ok 14392 # ring membership passed
201: ok 14393 # correct SSSR count
201: ok 14394 # ring membership passed
201: ok 14395 # correct SSSR count
201: ok 14396 # ring membership passed
201: ok 14397 # correct SSSR count
201: ok 14398 # ring membership passed
201: ok 14399 # correct SSSR count
201: ok 14400 # ring membership passed
201: ok 14401 # correct SSSR count
201: ok 14402 # ring membership passed
201: ok 14403 # correct SSSR count
201: ok 14404 # ring membership passed
201: ok 14405 # correct SSSR count
201: ok 14406 # ring membership passed
201: ok 14407 # correct SSSR count
201: ok 14408 # ring membership passed
201: ok 14409 # correct SSSR count
201: ok 14410 # ring membership passed
201: ok 14411 # correct SSSR count
201: ok 14412 # ring membership passed
201: ok 14413 # correct SSSR count
201: ok 14414 # ring membership passed
201: ok 14415 # correct SSSR count
201: ok 14416 # ring membership passed
201: ok 14417 # correct ring bond data
201: ok 14418 # correct ring bond data
201: ok 14419 # correct ring bond data
201: ok 14420 # correct ring bond data
201: ok 14421 # correct ring bond data
201: ok 14422 # correct ring bond data
201: ok 14423 # correct ring bond data
201: ok 14424 # correct ring bond data
201: ok 14425 # correct ring bond data
201: ok 14426 # correct ring bond data
201: ok 14427 # correct ring bond data
201: ok 14428 # correct ring bond data
201: ok 14429 # correct ring bond data
201: ok 14430 # correct ring bond data
201: ok 14431 # correct ring bond data
201: ok 14432 # correct ring bond data
201: ok 14433 # correct ring bond data
201: ok 14434 # correct ring bond data
201: ok 14435 # correct ring bond data
201: ok 14436 # correct ring bond data
201: ok 14437 # correct ring bond data
201: ok 14438 # correct ring bond data
201: ok 14439 # correct ring bond data
201: ok 14440 # correct ring bond data
201: ok 14441 # correct ring bond data
201: ok 14442 # correct ring bond data
201: ok 14443 # correct ring bond data
201: ok 14444 # correct ring bond data
201: ok 14445 # correct ring bond data
201: ok 14446 # correct ring bond data
201: ok 14447 # correct ring bond data
201: ok 14448 # correct ring bond data
201: ok 14449 # correct ring bond data
201: ok 14450 # correct ring bond data
201: ok 14451 # correct ring bond data
201: ok 14452 # correct ring bond data
201: ok 14453 # correct ring bond data
201: ok 14454 # SSSR size matches reference
201: ok 14455 # correct SSSR count
201: ok 14456 # ring membership passed
201: ok 14457 # correct SSSR count
201: ok 14458 # ring membership passed
201: ok 14459 # correct SSSR count
201: ok 14460 # ring membership passed
201: ok 14461 # correct SSSR count
201: ok 14462 # ring membership passed
201: ok 14463 # correct SSSR count
201: ok 14464 # ring membership passed
201: ok 14465 # correct SSSR count
201: ok 14466 # ring membership passed
201: ok 14467 # correct SSSR count
201: ok 14468 # ring membership passed
201: ok 14469 # correct SSSR count
201: ok 14470 # ring membership passed
201: ok 14471 # correct SSSR count
201: ok 14472 # ring membership passed
201: ok 14473 # correct SSSR count
201: ok 14474 # ring membership passed
201: ok 14475 # correct SSSR count
201: ok 14476 # ring membership passed
201: ok 14477 # correct SSSR count
201: ok 14478 # ring membership passed
201: ok 14479 # correct SSSR count
201: ok 14480 # ring membership passed
201: ok 14481 # correct SSSR count
201: ok 14482 # ring membership passed
201: ok 14483 # correct SSSR count
201: ok 14484 # ring membership passed
201: ok 14485 # correct SSSR count
201: ok 14486 # ring membership passed
201: ok 14487 # correct SSSR count
201: ok 14488 # ring membership passed
201: ok 14489 # correct SSSR count
201: ok 14490 # ring membership passed
201: ok 14491 # correct SSSR count
201: ok 14492 # ring membership passed
201: ok 14493 # correct SSSR count
201: ok 14494 # ring membership passed
201: ok 14495 # correct SSSR count
201: ok 14496 # ring membership passed
201: ok 14497 # correct SSSR count
201: ok 14498 # ring membership passed
201: ok 14499 # correct SSSR count
201: ok 14500 # ring membership passed
201: ok 14501 # correct SSSR count
201: ok 14502 # ring membership passed
201: ok 14503 # correct SSSR count
201: ok 14504 # ring membership passed
201: ok 14505 # correct SSSR count
201: ok 14506 # ring membership passed
201: ok 14507 # correct SSSR count
201: ok 14508 # ring membership passed
201: ok 14509 # correct SSSR count
201: ok 14510 # ring membership passed
201: ok 14511 # correct SSSR count
201: ok 14512 # ring membership passed
201: ok 14513 # correct SSSR count
201: ok 14514 # ring membership passed
201: ok 14515 # correct SSSR count
201: ok 14516 # ring membership passed
201: ok 14517 # correct SSSR count
201: ok 14518 # ring membership passed
201: ok 14519 # correct SSSR count
201: ok 14520 # ring membership passed
201: ok 14521 # correct ring bond data
201: ok 14522 # correct ring bond data
201: ok 14523 # correct ring bond data
201: ok 14524 # correct ring bond data
201: ok 14525 # correct ring bond data
201: ok 14526 # correct ring bond data
201: ok 14527 # correct ring bond data
201: ok 14528 # correct ring bond data
201: ok 14529 # correct ring bond data
201: ok 14530 # correct ring bond data
201: ok 14531 # correct ring bond data
201: ok 14532 # correct ring bond data
201: ok 14533 # correct ring bond data
201: ok 14534 # correct ring bond data
201: ok 14535 # correct ring bond data
201: ok 14536 # correct ring bond data
201: ok 14537 # correct ring bond data
201: ok 14538 # correct ring bond data
201: ok 14539 # correct ring bond data
201: ok 14540 # correct ring bond data
201: ok 14541 # correct ring bond data
201: ok 14542 # correct ring bond data
201: ok 14543 # correct ring bond data
201: ok 14544 # correct ring bond data
201: ok 14545 # correct ring bond data
201: ok 14546 # correct ring bond data
201: ok 14547 # SSSR size matches reference
201: ok 14548 # correct SSSR count
201: ok 14549 # ring membership passed
201: ok 14550 # correct SSSR count
201: ok 14551 # ring membership passed
201: ok 14552 # correct SSSR count
201: ok 14553 # ring membership passed
201: ok 14554 # correct SSSR count
201: ok 14555 # ring membership passed
201: ok 14556 # correct SSSR count
201: ok 14557 # ring membership passed
201: ok 14558 # correct SSSR count
201: ok 14559 # ring membership passed
201: ok 14560 # correct SSSR count
201: ok 14561 # ring membership passed
201: ok 14562 # correct SSSR count
201: ok 14563 # ring membership passed
201: ok 14564 # correct SSSR count
201: ok 14565 # ring membership passed
201: ok 14566 # correct SSSR count
201: ok 14567 # ring membership passed
201: ok 14568 # correct SSSR count
201: ok 14569 # ring membership passed
201: ok 14570 # correct SSSR count
201: ok 14571 # ring membership passed
201: ok 14572 # correct SSSR count
201: ok 14573 # ring membership passed
201: ok 14574 # correct SSSR count
201: ok 14575 # ring membership passed
201: ok 14576 # correct SSSR count
201: ok 14577 # ring membership passed
201: ok 14578 # correct SSSR count
201: ok 14579 # ring membership passed
201: ok 14580 # correct SSSR count
201: ok 14581 # ring membership passed
201: ok 14582 # correct SSSR count
201: ok 14583 # ring membership passed
201: ok 14584 # correct SSSR count
201: ok 14585 # ring membership passed
201: ok 14586 # correct SSSR count
201: ok 14587 # ring membership passed
201: ok 14588 # correct SSSR count
201: ok 14589 # ring membership passed
201: ok 14590 # correct SSSR count
201: ok 14591 # ring membership passed
201: ok 14592 # correct SSSR count
201: ok 14593 # ring membership passed
201: ok 14594 # correct SSSR count
201: ok 14595 # ring membership passed
201: ok 14596 # correct SSSR count
201: ok 14597 # ring membership passed
201: ok 14598 # correct SSSR count
201: ok 14599 # ring membership passed
201: ok 14600 # correct ring bond data
201: ok 14601 # correct ring bond data
201: ok 14602 # correct ring bond data
201: ok 14603 # correct ring bond data
201: ok 14604 # correct ring bond data
201: ok 14605 # correct ring bond data
201: ok 14606 # correct ring bond data
201: ok 14607 # correct ring bond data
201: ok 14608 # correct ring bond data
201: ok 14609 # correct ring bond data
201: ok 14610 # correct ring bond data
201: ok 14611 # correct ring bond data
201: ok 14612 # correct ring bond data
201: ok 14613 # correct ring bond data
201: ok 14614 # correct ring bond data
201: ok 14615 # correct ring bond data
201: ok 14616 # correct ring bond data
201: ok 14617 # correct ring bond data
201: ok 14618 # correct ring bond data
201: ok 14619 # correct ring bond data
201: ok 14620 # correct ring bond data
201: ok 14621 # correct ring bond data
201: ok 14622 # correct ring bond data
201: ok 14623 # correct ring bond data
201: ok 14624 # correct ring bond data
201: ok 14625 # correct ring bond data
201: ok 14626 # correct ring bond data
201: ok 14627 # correct ring bond data
201: ok 14628 # correct ring bond data
201: ok 14629 # correct ring bond data
201: ok 14630 # correct ring bond data
201: ok 14631 # correct ring bond data
201: ok 14632 # correct ring bond data
201: ok 14633 # correct ring bond data
201: ok 14634 # correct ring bond data
201: ok 14635 # correct ring bond data
201: ok 14636 # correct ring bond data
201: ok 14637 # correct ring bond data
201: ok 14638 # correct ring bond data
201: ok 14639 # correct ring bond data
201: ok 14640 # correct ring bond data
201: ok 14641 # correct ring bond data
201: ok 14642 # SSSR size matches reference
201: ok 14643 # correct SSSR count
201: ok 14644 # ring membership passed
201: ok 14645 # correct SSSR count
201: ok 14646 # ring membership passed
201: ok 14647 # correct SSSR count
201: ok 14648 # ring membership passed
201: ok 14649 # correct SSSR count
201: ok 14650 # ring membership passed
201: ok 14651 # correct SSSR count
201: ok 14652 # ring membership passed
201: ok 14653 # correct SSSR count
201: ok 14654 # ring membership passed
201: ok 14655 # correct SSSR count
201: ok 14656 # ring membership passed
201: ok 14657 # correct SSSR count
201: ok 14658 # ring membership passed
201: ok 14659 # correct SSSR count
201: ok 14660 # ring membership passed
201: ok 14661 # correct SSSR count
201: ok 14662 # ring membership passed
201: ok 14663 # correct SSSR count
201: ok 14664 # ring membership passed
201: ok 14665 # correct SSSR count
201: ok 14666 # ring membership passed
201: ok 14667 # correct SSSR count
201: ok 14668 # ring membership passed
201: ok 14669 # correct SSSR count
201: ok 14670 # ring membership passed
201: ok 14671 # correct SSSR count
201: ok 14672 # ring membership passed
201: ok 14673 # correct SSSR count
201: ok 14674 # ring membership passed
201: ok 14675 # correct SSSR count
201: ok 14676 # ring membership passed
201: ok 14677 # correct SSSR count
201: ok 14678 # ring membership passed
201: ok 14679 # correct SSSR count
201: ok 14680 # ring membership passed
201: ok 14681 # correct SSSR count
201: ok 14682 # ring membership passed
201: ok 14683 # correct SSSR count
201: ok 14684 # ring membership passed
201: ok 14685 # correct SSSR count
201: ok 14686 # ring membership passed
201: ok 14687 # correct SSSR count
201: ok 14688 # ring membership passed
201: ok 14689 # correct SSSR count
201: ok 14690 # ring membership passed
201: ok 14691 # correct SSSR count
201: ok 14692 # ring membership passed
201: ok 14693 # correct SSSR count
201: ok 14694 # ring membership passed
201: ok 14695 # correct SSSR count
201: ok 14696 # ring membership passed
201: ok 14697 # correct SSSR count
201: ok 14698 # ring membership passed
201: ok 14699 # correct SSSR count
201: ok 14700 # ring membership passed
201: ok 14701 # correct SSSR count
201: ok 14702 # ring membership passed
201: ok 14703 # correct SSSR count
201: ok 14704 # ring membership passed
201: ok 14705 # correct SSSR count
201: ok 14706 # ring membership passed
201: ok 14707 # correct SSSR count
201: ok 14708 # ring membership passed
201: ok 14709 # correct SSSR count
201: ok 14710 # ring membership passed
201: ok 14711 # correct SSSR count
201: ok 14712 # ring membership passed
201: ok 14713 # correct SSSR count
201: ok 14714 # ring membership passed
201: ok 14715 # correct SSSR count
201: ok 14716 # ring membership passed
201: ok 14717 # correct SSSR count
201: ok 14718 # ring membership passed
201: ok 14719 # correct SSSR count
201: ok 14720 # ring membership passed
201: ok 14721 # correct SSSR count
201: ok 14722 # ring membership passed
201: ok 14723 # correct SSSR count
201: ok 14724 # ring membership passed
201: ok 14725 # correct ring bond data
201: ok 14726 # correct ring bond data
201: ok 14727 # correct ring bond data
201: ok 14728 # correct ring bond data
201: ok 14729 # correct ring bond data
201: ok 14730 # correct ring bond data
201: ok 14731 # correct ring bond data
201: ok 14732 # correct ring bond data
201: ok 14733 # correct ring bond data
201: ok 14734 # correct ring bond data
201: ok 14735 # correct ring bond data
201: ok 14736 # correct ring bond data
201: ok 14737 # correct ring bond data
201: ok 14738 # correct ring bond data
201: ok 14739 # correct ring bond data
201: ok 14740 # SSSR size matches reference
201: ok 14741 # correct SSSR count
201: ok 14742 # ring membership passed
201: ok 14743 # correct SSSR count
201: ok 14744 # ring membership passed
201: ok 14745 # correct SSSR count
201: ok 14746 # ring membership passed
201: ok 14747 # correct SSSR count
201: ok 14748 # ring membership passed
201: ok 14749 # correct SSSR count
201: ok 14750 # ring membership passed
201: ok 14751 # correct SSSR count
201: ok 14752 # ring membership passed
201: ok 14753 # correct SSSR count
201: ok 14754 # ring membership passed
201: ok 14755 # correct SSSR count
201: ok 14756 # ring membership passed
201: ok 14757 # correct SSSR count
201: ok 14758 # ring membership passed
201: ok 14759 # correct SSSR count
201: ok 14760 # ring membership passed
201: ok 14761 # correct SSSR count
201: ok 14762 # ring membership passed
201: ok 14763 # correct SSSR count
201: ok 14764 # ring membership passed
201: ok 14765 # correct SSSR count
201: ok 14766 # ring membership passed
201: ok 14767 # correct SSSR count
201: ok 14768 # ring membership passed
201: ok 14769 # correct ring bond data
201: ok 14770 # correct ring bond data
201: ok 14771 # correct ring bond data
201: ok 14772 # correct ring bond data
201: ok 14773 # correct ring bond data
201: ok 14774 # correct ring bond data
201: ok 14775 # correct ring bond data
201: ok 14776 # correct ring bond data
201: ok 14777 # correct ring bond data
201: ok 14778 # correct ring bond data
201: ok 14779 # correct ring bond data
201: ok 14780 # SSSR size matches reference
201: ok 14781 # correct SSSR count
201: ok 14782 # ring membership passed
201: ok 14783 # correct SSSR count
201: ok 14784 # ring membership passed
201: ok 14785 # correct SSSR count
201: ok 14786 # ring membership passed
201: ok 14787 # correct SSSR count
201: ok 14788 # ring membership passed
201: ok 14789 # correct SSSR count
201: ok 14790 # ring membership passed
201: ok 14791 # correct SSSR count
201: ok 14792 # ring membership passed
201: ok 14793 # correct SSSR count
201: ok 14794 # ring membership passed
201: ok 14795 # correct SSSR count
201: ok 14796 # ring membership passed
201: ok 14797 # correct SSSR count
201: ok 14798 # ring membership passed
201: ok 14799 # correct SSSR count
201: ok 14800 # ring membership passed
201: ok 14801 # correct SSSR count
201: ok 14802 # ring membership passed
201: ok 14803 # correct SSSR count
201: ok 14804 # ring membership passed
201: ok 14805 # correct ring bond data
201: ok 14806 # correct ring bond data
201: ok 14807 # correct ring bond data
201: ok 14808 # correct ring bond data
201: ok 14809 # correct ring bond data
201: ok 14810 # correct ring bond data
201: ok 14811 # correct ring bond data
201: ok 14812 # correct ring bond data
201: ok 14813 # SSSR size matches reference
201: ok 14814 # correct SSSR count
201: ok 14815 # ring membership passed
201: ok 14816 # correct SSSR count
201: ok 14817 # ring membership passed
201: ok 14818 # correct SSSR count
201: ok 14819 # ring membership passed
201: ok 14820 # correct SSSR count
201: ok 14821 # ring membership passed
201: ok 14822 # correct SSSR count
201: ok 14823 # ring membership passed
201: ok 14824 # correct SSSR count
201: ok 14825 # ring membership passed
201: ok 14826 # correct SSSR count
201: ok 14827 # ring membership passed
201: ok 14828 # correct SSSR count
201: ok 14829 # ring membership passed
201: ok 14830 # correct SSSR count
201: ok 14831 # ring membership passed
201: ok 14832 # correct SSSR count
201: ok 14833 # ring membership passed
201: ok 14834 # correct ring bond data
201: ok 14835 # correct ring bond data
201: ok 14836 # correct ring bond data
201: ok 14837 # correct ring bond data
201: ok 14838 # correct ring bond data
201: ok 14839 # correct ring bond data
201: ok 14840 # correct ring bond data
201: ok 14841 # correct ring bond data
201: ok 14842 # correct ring bond data
201: ok 14843 # correct ring bond data
201: ok 14844 # correct ring bond data
201: ok 14845 # correct ring bond data
201: ok 14846 # correct ring bond data
201: ok 14847 # correct ring bond data
201: ok 14848 # correct ring bond data
201: ok 14849 # SSSR size matches reference
201: ok 14850 # correct SSSR count
201: ok 14851 # ring membership passed
201: ok 14852 # correct SSSR count
201: ok 14853 # ring membership passed
201: ok 14854 # correct SSSR count
201: ok 14855 # ring membership passed
201: ok 14856 # correct SSSR count
201: ok 14857 # ring membership passed
201: ok 14858 # correct SSSR count
201: ok 14859 # ring membership passed
201: ok 14860 # correct SSSR count
201: ok 14861 # ring membership passed
201: ok 14862 # correct SSSR count
201: ok 14863 # ring membership passed
201: ok 14864 # correct SSSR count
201: ok 14865 # ring membership passed
201: ok 14866 # correct SSSR count
201: ok 14867 # ring membership passed
201: ok 14868 # correct SSSR count
201: ok 14869 # ring membership passed
201: ok 14870 # correct SSSR count
201: ok 14871 # ring membership passed
201: ok 14872 # correct SSSR count
201: ok 14873 # ring membership passed
201: ok 14874 # correct SSSR count
201: ok 14875 # ring membership passed
201: ok 14876 # correct SSSR count
201: ok 14877 # ring membership passed
201: ok 14878 # correct SSSR count
201: ok 14879 # ring membership passed
201: ok 14880 # correct SSSR count
201: ok 14881 # ring membership passed
201: ok 14882 # correct ring bond data
201: ok 14883 # correct ring bond data
201: ok 14884 # correct ring bond data
201: ok 14885 # correct ring bond data
201: ok 14886 # correct ring bond data
201: ok 14887 # correct ring bond data
201: ok 14888 # correct ring bond data
201: ok 14889 # correct ring bond data
201: ok 14890 # correct ring bond data
201: ok 14891 # correct ring bond data
201: ok 14892 # correct ring bond data
201: ok 14893 # SSSR size matches reference
201: ok 14894 # correct SSSR count
201: ok 14895 # ring membership passed
201: ok 14896 # correct SSSR count
201: ok 14897 # ring membership passed
201: ok 14898 # correct SSSR count
201: ok 14899 # ring membership passed
201: ok 14900 # correct SSSR count
201: ok 14901 # ring membership passed
201: ok 14902 # correct SSSR count
201: ok 14903 # ring membership passed
201: ok 14904 # correct SSSR count
201: ok 14905 # ring membership passed
201: ok 14906 # correct SSSR count
201: ok 14907 # ring membership passed
201: ok 14908 # correct SSSR count
201: ok 14909 # ring membership passed
201: ok 14910 # correct SSSR count
201: ok 14911 # ring membership passed
201: ok 14912 # correct SSSR count
201: ok 14913 # ring membership passed
201: ok 14914 # correct SSSR count
201: ok 14915 # ring membership passed
201: ok 14916 # correct SSSR count
201: ok 14917 # ring membership passed
201: ok 14918 # correct SSSR count
201: ok 14919 # ring membership passed
201: ok 14920 # correct ring bond data
201: ok 14921 # correct ring bond data
201: ok 14922 # correct ring bond data
201: ok 14923 # correct ring bond data
201: ok 14924 # correct ring bond data
201: ok 14925 # correct ring bond data
201: ok 14926 # SSSR size matches reference
201: ok 14927 # correct SSSR count
201: ok 14928 # ring membership passed
201: ok 14929 # correct SSSR count
201: ok 14930 # ring membership passed
201: ok 14931 # correct SSSR count
201: ok 14932 # ring membership passed
201: ok 14933 # correct SSSR count
201: ok 14934 # ring membership passed
201: ok 14935 # correct SSSR count
201: ok 14936 # ring membership passed
201: ok 14937 # correct SSSR count
201: ok 14938 # ring membership passed
201: ok 14939 # correct SSSR count
201: ok 14940 # ring membership passed
201: ok 14941 # correct SSSR count
201: ok 14942 # ring membership passed
201: ok 14943 # correct ring bond data
201: ok 14944 # correct ring bond data
201: ok 14945 # correct ring bond data
201: ok 14946 # correct ring bond data
201: ok 14947 # correct ring bond data
201: ok 14948 # correct ring bond data
201: ok 14949 # correct ring bond data
201: ok 14950 # correct ring bond data
201: ok 14951 # correct ring bond data
201: ok 14952 # correct ring bond data
201: ok 14953 # correct ring bond data
201: ok 14954 # correct ring bond data
201: ok 14955 # correct ring bond data
201: ok 14956 # SSSR size matches reference
201: ok 14957 # correct SSSR count
201: ok 14958 # ring membership passed
201: ok 14959 # correct SSSR count
201: ok 14960 # ring membership passed
201: ok 14961 # correct SSSR count
201: ok 14962 # ring membership passed
201: ok 14963 # correct SSSR count
201: ok 14964 # ring membership passed
201: ok 14965 # correct SSSR count
201: ok 14966 # ring membership passed
201: ok 14967 # correct SSSR count
201: ok 14968 # ring membership passed
201: ok 14969 # correct SSSR count
201: ok 14970 # ring membership passed
201: ok 14971 # correct SSSR count
201: ok 14972 # ring membership passed
201: ok 14973 # correct SSSR count
201: ok 14974 # ring membership passed
201: ok 14975 # correct SSSR count
201: ok 14976 # ring membership passed
201: ok 14977 # correct SSSR count
201: ok 14978 # ring membership passed
201: ok 14979 # correct SSSR count
201: ok 14980 # ring membership passed
201: ok 14981 # correct SSSR count
201: ok 14982 # ring membership passed
201: ok 14983 # correct ring bond data
201: ok 14984 # correct ring bond data
201: ok 14985 # correct ring bond data
201: ok 14986 # correct ring bond data
201: ok 14987 # correct ring bond data
201: ok 14988 # correct ring bond data
201: ok 14989 # SSSR size matches reference
201: ok 14990 # correct SSSR count
201: ok 14991 # ring membership passed
201: ok 14992 # correct SSSR count
201: ok 14993 # ring membership passed
201: ok 14994 # correct SSSR count
201: ok 14995 # ring membership passed
201: ok 14996 # correct SSSR count
201: ok 14997 # ring membership passed
201: ok 14998 # correct SSSR count
201: ok 14999 # ring membership passed
201: ok 15000 # correct SSSR count
201: ok 15001 # ring membership passed
201: ok 15002 # correct ring bond data
201: ok 15003 # correct ring bond data
201: ok 15004 # correct ring bond data
201: ok 15005 # correct ring bond data
201: ok 15006 # correct ring bond data
201: ok 15007 # correct ring bond data
201: ok 15008 # SSSR size matches reference
201: ok 15009 # correct SSSR count
201: ok 15010 # ring membership passed
201: ok 15011 # correct SSSR count
201: ok 15012 # ring membership passed
201: ok 15013 # correct SSSR count
201: ok 15014 # ring membership passed
201: ok 15015 # correct SSSR count
201: ok 15016 # ring membership passed
201: ok 15017 # correct SSSR count
201: ok 15018 # ring membership passed
201: ok 15019 # correct SSSR count
201: ok 15020 # ring membership passed
201: ok 15021 # correct ring bond data
201: ok 15022 # correct ring bond data
201: ok 15023 # correct ring bond data
201: ok 15024 # correct ring bond data
201: ok 15025 # correct ring bond data
201: ok 15026 # SSSR size matches reference
201: ok 15027 # correct SSSR count
201: ok 15028 # ring membership passed
201: ok 15029 # correct SSSR count
201: ok 15030 # ring membership passed
201: ok 15031 # correct SSSR count
201: ok 15032 # ring membership passed
201: ok 15033 # correct SSSR count
201: ok 15034 # ring membership passed
201: ok 15035 # correct SSSR count
201: ok 15036 # ring membership passed
201: ok 15037 # correct ring bond data
201: ok 15038 # correct ring bond data
201: ok 15039 # correct ring bond data
201: ok 15040 # correct ring bond data
201: ok 15041 # correct ring bond data
201: ok 15042 # correct ring bond data
201: ok 15043 # correct ring bond data
201: ok 15044 # correct ring bond data
201: ok 15045 # correct ring bond data
201: ok 15046 # correct ring bond data
201: ok 15047 # correct ring bond data
201: ok 15048 # correct ring bond data
201: ok 15049 # correct ring bond data
201: ok 15050 # correct ring bond data
201: ok 15051 # correct ring bond data
201: ok 15052 # correct ring bond data
201: ok 15053 # correct ring bond data
201: ok 15054 # correct ring bond data
201: ok 15055 # correct ring bond data
201: ok 15056 # correct ring bond data
201: ok 15057 # correct ring bond data
201: ok 15058 # SSSR size matches reference
201: ok 15059 # correct SSSR count
201: ok 15060 # ring membership passed
201: ok 15061 # correct SSSR count
201: ok 15062 # ring membership passed
201: ok 15063 # correct SSSR count
201: ok 15064 # ring membership passed
201: ok 15065 # correct SSSR count
201: ok 15066 # ring membership passed
201: ok 15067 # correct SSSR count
201: ok 15068 # ring membership passed
201: ok 15069 # correct SSSR count
201: ok 15070 # ring membership passed
201: ok 15071 # correct SSSR count
201: ok 15072 # ring membership passed
201: ok 15073 # correct SSSR count
201: ok 15074 # ring membership passed
201: ok 15075 # correct SSSR count
201: ok 15076 # ring membership passed
201: ok 15077 # correct SSSR count
201: ok 15078 # ring membership passed
201: ok 15079 # correct SSSR count
201: ok 15080 # ring membership passed
201: ok 15081 # correct SSSR count
201: ok 15082 # ring membership passed
201: ok 15083 # correct SSSR count
201: ok 15084 # ring membership passed
201: ok 15085 # correct SSSR count
201: ok 15086 # ring membership passed
201: ok 15087 # correct SSSR count
201: ok 15088 # ring membership passed
201: ok 15089 # correct SSSR count
201: ok 15090 # ring membership passed
201: ok 15091 # correct SSSR count
201: ok 15092 # ring membership passed
201: ok 15093 # correct SSSR count
201: ok 15094 # ring membership passed
201: ok 15095 # correct ring bond data
201: ok 15096 # correct ring bond data
201: ok 15097 # correct ring bond data
201: ok 15098 # correct ring bond data
201: ok 15099 # correct ring bond data
201: ok 15100 # correct ring bond data
201: ok 15101 # correct ring bond data
201: ok 15102 # correct ring bond data
201: ok 15103 # correct ring bond data
201: ok 15104 # correct ring bond data
201: ok 15105 # correct ring bond data
201: ok 15106 # correct ring bond data
201: ok 15107 # correct ring bond data
201: ok 15108 # correct ring bond data
201: ok 15109 # correct ring bond data
201: ok 15110 # correct ring bond data
201: ok 15111 # correct ring bond data
201: ok 15112 # correct ring bond data
201: ok 15113 # SSSR size matches reference
201: ok 15114 # correct SSSR count
201: ok 15115 # ring membership passed
201: ok 15116 # correct SSSR count
201: ok 15117 # ring membership passed
201: ok 15118 # correct SSSR count
201: ok 15119 # ring membership passed
201: ok 15120 # correct SSSR count
201: ok 15121 # ring membership passed
201: ok 15122 # correct SSSR count
201: ok 15123 # ring membership passed
201: ok 15124 # correct SSSR count
201: ok 15125 # ring membership passed
201: ok 15126 # correct SSSR count
201: ok 15127 # ring membership passed
201: ok 15128 # correct SSSR count
201: ok 15129 # ring membership passed
201: ok 15130 # correct SSSR count
201: ok 15131 # ring membership passed
201: ok 15132 # correct SSSR count
201: ok 15133 # ring membership passed
201: ok 15134 # correct SSSR count
201: ok 15135 # ring membership passed
201: ok 15136 # correct SSSR count
201: ok 15137 # ring membership passed
201: ok 15138 # correct SSSR count
201: ok 15139 # ring membership passed
201: ok 15140 # correct SSSR count
201: ok 15141 # ring membership passed
201: ok 15142 # correct SSSR count
201: ok 15143 # ring membership passed
201: ok 15144 # correct SSSR count
201: ok 15145 # ring membership passed
201: ok 15146 # correct ring bond data
201: ok 15147 # correct ring bond data
201: ok 15148 # correct ring bond data
201: ok 15149 # correct ring bond data
201: ok 15150 # correct ring bond data
201: ok 15151 # correct ring bond data
201: ok 15152 # correct ring bond data
201: ok 15153 # correct ring bond data
201: ok 15154 # correct ring bond data
201: ok 15155 # correct ring bond data
201: ok 15156 # correct ring bond data
201: ok 15157 # correct ring bond data
201: ok 15158 # correct ring bond data
201: ok 15159 # correct ring bond data
201: ok 15160 # correct ring bond data
201: ok 15161 # correct ring bond data
201: ok 15162 # correct ring bond data
201: ok 15163 # correct ring bond data
201: ok 15164 # correct ring bond data
201: ok 15165 # correct ring bond data
201: ok 15166 # correct ring bond data
201: ok 15167 # correct ring bond data
201: ok 15168 # SSSR size matches reference
201: ok 15169 # correct SSSR count
201: ok 15170 # ring membership passed
201: ok 15171 # correct SSSR count
201: ok 15172 # ring membership passed
201: ok 15173 # correct SSSR count
201: ok 15174 # ring membership passed
201: ok 15175 # correct SSSR count
201: ok 15176 # ring membership passed
201: ok 15177 # correct SSSR count
201: ok 15178 # ring membership passed
201: ok 15179 # correct SSSR count
201: ok 15180 # ring membership passed
201: ok 15181 # correct SSSR count
201: ok 15182 # ring membership passed
201: ok 15183 # correct SSSR count
201: ok 15184 # ring membership passed
201: ok 15185 # correct SSSR count
201: ok 15186 # ring membership passed
201: ok 15187 # correct SSSR count
201: ok 15188 # ring membership passed
201: ok 15189 # correct SSSR count
201: ok 15190 # ring membership passed
201: ok 15191 # correct SSSR count
201: ok 15192 # ring membership passed
201: ok 15193 # correct SSSR count
201: ok 15194 # ring membership passed
201: ok 15195 # correct SSSR count
201: ok 15196 # ring membership passed
201: ok 15197 # correct SSSR count
201: ok 15198 # ring membership passed
201: ok 15199 # correct SSSR count
201: ok 15200 # ring membership passed
201: ok 15201 # correct SSSR count
201: ok 15202 # ring membership passed
201: ok 15203 # correct SSSR count
201: ok 15204 # ring membership passed
201: ok 15205 # correct SSSR count
201: ok 15206 # ring membership passed
201: ok 15207 # correct ring bond data
201: ok 15208 # correct ring bond data
201: ok 15209 # correct ring bond data
201: ok 15210 # correct ring bond data
201: ok 15211 # correct ring bond data
201: ok 15212 # correct ring bond data
201: ok 15213 # correct ring bond data
201: ok 15214 # correct ring bond data
201: ok 15215 # correct ring bond data
201: ok 15216 # correct ring bond data
201: ok 15217 # correct ring bond data
201: ok 15218 # correct ring bond data
201: ok 15219 # correct ring bond data
201: ok 15220 # correct ring bond data
201: ok 15221 # correct ring bond data
201: ok 15222 # correct ring bond data
201: ok 15223 # correct ring bond data
201: ok 15224 # correct ring bond data
201: ok 15225 # correct ring bond data
201: ok 15226 # correct ring bond data
201: ok 15227 # correct ring bond data
201: ok 15228 # correct ring bond data
201: ok 15229 # SSSR size matches reference
201: ok 15230 # correct SSSR count
201: ok 15231 # ring membership passed
201: ok 15232 # correct SSSR count
201: ok 15233 # ring membership passed
201: ok 15234 # correct SSSR count
201: ok 15235 # ring membership passed
201: ok 15236 # correct SSSR count
201: ok 15237 # ring membership passed
201: ok 15238 # correct SSSR count
201: ok 15239 # ring membership passed
201: ok 15240 # correct SSSR count
201: ok 15241 # ring membership passed
201: ok 15242 # correct SSSR count
201: ok 15243 # ring membership passed
201: ok 15244 # correct SSSR count
201: ok 15245 # ring membership passed
201: ok 15246 # correct SSSR count
201: ok 15247 # ring membership passed
201: ok 15248 # correct SSSR count
201: ok 15249 # ring membership passed
201: ok 15250 # correct SSSR count
201: ok 15251 # ring membership passed
201: ok 15252 # correct SSSR count
201: ok 15253 # ring membership passed
201: ok 15254 # correct SSSR count
201: ok 15255 # ring membership passed
201: ok 15256 # correct SSSR count
201: ok 15257 # ring membership passed
201: ok 15258 # correct SSSR count
201: ok 15259 # ring membership passed
201: ok 15260 # correct SSSR count
201: ok 15261 # ring membership passed
201: ok 15262 # correct SSSR count
201: ok 15263 # ring membership passed
201: ok 15264 # correct SSSR count
201: ok 15265 # ring membership passed
201: ok 15266 # correct SSSR count
201: ok 15267 # ring membership passed
201: ok 15268 # correct ring bond data
201: ok 15269 # correct ring bond data
201: ok 15270 # correct ring bond data
201: ok 15271 # correct ring bond data
201: ok 15272 # correct ring bond data
201: ok 15273 # correct ring bond data
201: ok 15274 # correct ring bond data
201: ok 15275 # correct ring bond data
201: ok 15276 # correct ring bond data
201: ok 15277 # correct ring bond data
201: ok 15278 # correct ring bond data
201: ok 15279 # correct ring bond data
201: ok 15280 # correct ring bond data
201: ok 15281 # correct ring bond data
201: ok 15282 # correct ring bond data
201: ok 15283 # correct ring bond data
201: ok 15284 # correct ring bond data
201: ok 15285 # correct ring bond data
201: ok 15286 # correct ring bond data
201: ok 15287 # correct ring bond data
201: ok 15288 # correct ring bond data
201: ok 15289 # SSSR size matches reference
201: ok 15290 # correct SSSR count
201: ok 15291 # ring membership passed
201: ok 15292 # correct SSSR count
201: ok 15293 # ring membership passed
201: ok 15294 # correct SSSR count
201: ok 15295 # ring membership passed
201: ok 15296 # correct SSSR count
201: ok 15297 # ring membership passed
201: ok 15298 # correct SSSR count
201: ok 15299 # ring membership passed
201: ok 15300 # correct SSSR count
201: ok 15301 # ring membership passed
201: ok 15302 # correct SSSR count
201: ok 15303 # ring membership passed
201: ok 15304 # correct SSSR count
201: ok 15305 # ring membership passed
201: ok 15306 # correct SSSR count
201: ok 15307 # ring membership passed
201: ok 15308 # correct SSSR count
201: ok 15309 # ring membership passed
201: ok 15310 # correct SSSR count
201: ok 15311 # ring membership passed
201: ok 15312 # correct SSSR count
201: ok 15313 # ring membership passed
201: ok 15314 # correct SSSR count
201: ok 15315 # ring membership passed
201: ok 15316 # correct SSSR count
201: ok 15317 # ring membership passed
201: ok 15318 # correct SSSR count
201: ok 15319 # ring membership passed
201: ok 15320 # correct SSSR count
201: ok 15321 # ring membership passed
201: ok 15322 # correct SSSR count
201: ok 15323 # ring membership passed
201: ok 15324 # correct SSSR count
201: ok 15325 # ring membership passed
201: ok 15326 # correct ring bond data
201: ok 15327 # correct ring bond data
201: ok 15328 # correct ring bond data
201: ok 15329 # correct ring bond data
201: ok 15330 # correct ring bond data
201: ok 15331 # correct ring bond data
201: ok 15332 # correct ring bond data
201: ok 15333 # correct ring bond data
201: ok 15334 # correct ring bond data
201: ok 15335 # correct ring bond data
201: ok 15336 # correct ring bond data
201: ok 15337 # correct ring bond data
201: ok 15338 # correct ring bond data
201: ok 15339 # correct ring bond data
201: ok 15340 # correct ring bond data
201: ok 15341 # correct ring bond data
201: ok 15342 # correct ring bond data
201: ok 15343 # correct ring bond data
201: ok 15344 # SSSR size matches reference
201: ok 15345 # correct SSSR count
201: ok 15346 # ring membership passed
201: ok 15347 # correct SSSR count
201: ok 15348 # ring membership passed
201: ok 15349 # correct SSSR count
201: ok 15350 # ring membership passed
201: ok 15351 # correct SSSR count
201: ok 15352 # ring membership passed
201: ok 15353 # correct SSSR count
201: ok 15354 # ring membership passed
201: ok 15355 # correct SSSR count
201: ok 15356 # ring membership passed
201: ok 15357 # correct SSSR count
201: ok 15358 # ring membership passed
201: ok 15359 # correct SSSR count
201: ok 15360 # ring membership passed
201: ok 15361 # correct SSSR count
201: ok 15362 # ring membership passed
201: ok 15363 # correct SSSR count
201: ok 15364 # ring membership passed
201: ok 15365 # correct SSSR count
201: ok 15366 # ring membership passed
201: ok 15367 # correct SSSR count
201: ok 15368 # ring membership passed
201: ok 15369 # correct SSSR count
201: ok 15370 # ring membership passed
201: ok 15371 # correct SSSR count
201: ok 15372 # ring membership passed
201: ok 15373 # correct SSSR count
201: ok 15374 # ring membership passed
201: ok 15375 # correct SSSR count
201: ok 15376 # ring membership passed
201: ok 15377 # correct ring bond data
201: ok 15378 # correct ring bond data
201: ok 15379 # correct ring bond data
201: ok 15380 # correct ring bond data
201: ok 15381 # correct ring bond data
201: ok 15382 # correct ring bond data
201: ok 15383 # correct ring bond data
201: ok 15384 # correct ring bond data
201: ok 15385 # correct ring bond data
201: ok 15386 # correct ring bond data
201: ok 15387 # correct ring bond data
201: ok 15388 # correct ring bond data
201: ok 15389 # correct ring bond data
201: ok 15390 # correct ring bond data
201: ok 15391 # correct ring bond data
201: ok 15392 # correct ring bond data
201: ok 15393 # SSSR size matches reference
201: ok 15394 # correct SSSR count
201: ok 15395 # ring membership passed
201: ok 15396 # correct SSSR count
201: ok 15397 # ring membership passed
201: ok 15398 # correct SSSR count
201: ok 15399 # ring membership passed
201: ok 15400 # correct SSSR count
201: ok 15401 # ring membership passed
201: ok 15402 # correct SSSR count
201: ok 15403 # ring membership passed
201: ok 15404 # correct SSSR count
201: ok 15405 # ring membership passed
201: ok 15406 # correct SSSR count
201: ok 15407 # ring membership passed
201: ok 15408 # correct SSSR count
201: ok 15409 # ring membership passed
201: ok 15410 # correct SSSR count
201: ok 15411 # ring membership passed
201: ok 15412 # correct SSSR count
201: ok 15413 # ring membership passed
201: ok 15414 # correct SSSR count
201: ok 15415 # ring membership passed
201: ok 15416 # correct SSSR count
201: ok 15417 # ring membership passed
201: ok 15418 # correct SSSR count
201: ok 15419 # ring membership passed
201: ok 15420 # correct SSSR count
201: ok 15421 # ring membership passed
201: ok 15422 # correct SSSR count
201: ok 15423 # ring membership passed
201: ok 15424 # correct ring bond data
201: ok 15425 # correct ring bond data
201: ok 15426 # correct ring bond data
201: ok 15427 # correct ring bond data
201: ok 15428 # correct ring bond data
201: ok 15429 # correct ring bond data
201: ok 15430 # correct ring bond data
201: ok 15431 # correct ring bond data
201: ok 15432 # correct ring bond data
201: ok 15433 # correct ring bond data
201: ok 15434 # correct ring bond data
201: ok 15435 # correct ring bond data
201: ok 15436 # correct ring bond data
201: ok 15437 # correct ring bond data
201: ok 15438 # correct ring bond data
201: ok 15439 # correct ring bond data
201: ok 15440 # correct ring bond data
201: ok 15441 # correct ring bond data
201: ok 15442 # correct ring bond data
201: ok 15443 # SSSR size matches reference
201: ok 15444 # correct SSSR count
201: ok 15445 # ring membership passed
201: ok 15446 # correct SSSR count
201: ok 15447 # ring membership passed
201: ok 15448 # correct SSSR count
201: ok 15449 # ring membership passed
201: ok 15450 # correct SSSR count
201: ok 15451 # ring membership passed
201: ok 15452 # correct SSSR count
201: ok 15453 # ring membership passed
201: ok 15454 # correct SSSR count
201: ok 15455 # ring membership passed
201: ok 15456 # correct SSSR count
201: ok 15457 # ring membership passed
201: ok 15458 # correct SSSR count
201: ok 15459 # ring membership passed
201: ok 15460 # correct SSSR count
201: ok 15461 # ring membership passed
201: ok 15462 # correct SSSR count
201: ok 15463 # ring membership passed
201: ok 15464 # correct SSSR count
201: ok 15465 # ring membership passed
201: ok 15466 # correct SSSR count
201: ok 15467 # ring membership passed
201: ok 15468 # correct SSSR count
201: ok 15469 # ring membership passed
201: ok 15470 # correct SSSR count
201: ok 15471 # ring membership passed
201: ok 15472 # correct SSSR count
201: ok 15473 # ring membership passed
201: ok 15474 # correct SSSR count
201: ok 15475 # ring membership passed
201: ok 15476 # correct SSSR count
201: ok 15477 # ring membership passed
201: ok 15478 # correct ring bond data
201: ok 15479 # correct ring bond data
201: ok 15480 # correct ring bond data
201: ok 15481 # correct ring bond data
201: ok 15482 # correct ring bond data
201: ok 15483 # correct ring bond data
201: ok 15484 # correct ring bond data
201: ok 15485 # correct ring bond data
201: ok 15486 # correct ring bond data
201: ok 15487 # correct ring bond data
201: ok 15488 # correct ring bond data
201: ok 15489 # correct ring bond data
201: ok 15490 # SSSR size matches reference
201: ok 15491 # correct SSSR count
201: ok 15492 # ring membership passed
201: ok 15493 # correct SSSR count
201: ok 15494 # ring membership passed
201: ok 15495 # correct SSSR count
201: ok 15496 # ring membership passed
201: ok 15497 # correct SSSR count
201: ok 15498 # ring membership passed
201: ok 15499 # correct SSSR count
201: ok 15500 # ring membership passed
201: ok 15501 # correct SSSR count
201: ok 15502 # ring membership passed
201: ok 15503 # correct SSSR count
201: ok 15504 # ring membership passed
201: ok 15505 # correct SSSR count
201: ok 15506 # ring membership passed
201: ok 15507 # correct SSSR count
201: ok 15508 # ring membership passed
201: ok 15509 # correct SSSR count
201: ok 15510 # ring membership passed
201: ok 15511 # correct SSSR count
201: ok 15512 # ring membership passed
201: ok 15513 # correct ring bond data
201: ok 15514 # correct ring bond data
201: ok 15515 # correct ring bond data
201: ok 15516 # correct ring bond data
201: ok 15517 # correct ring bond data
201: ok 15518 # correct ring bond data
201: ok 15519 # correct ring bond data
201: ok 15520 # correct ring bond data
201: ok 15521 # correct ring bond data
201: ok 15522 # correct ring bond data
201: ok 15523 # correct ring bond data
201: ok 15524 # correct ring bond data
201: ok 15525 # correct ring bond data
201: ok 15526 # correct ring bond data
201: ok 15527 # correct ring bond data
201: ok 15528 # correct ring bond data
201: ok 15529 # correct ring bond data
201: ok 15530 # correct ring bond data
201: ok 15531 # correct ring bond data
201: ok 15532 # correct ring bond data
201: ok 15533 # correct ring bond data
201: ok 15534 # correct ring bond data
201: ok 15535 # SSSR size matches reference
201: ok 15536 # correct SSSR count
201: ok 15537 # ring membership passed
201: ok 15538 # correct SSSR count
201: ok 15539 # ring membership passed
201: ok 15540 # correct SSSR count
201: ok 15541 # ring membership passed
201: ok 15542 # correct SSSR count
201: ok 15543 # ring membership passed
201: ok 15544 # correct SSSR count
201: ok 15545 # ring membership passed
201: ok 15546 # correct SSSR count
201: ok 15547 # ring membership passed
201: ok 15548 # correct SSSR count
201: ok 15549 # ring membership passed
201: ok 15550 # correct SSSR count
201: ok 15551 # ring membership passed
201: ok 15552 # correct SSSR count
201: ok 15553 # ring membership passed
201: ok 15554 # correct SSSR count
201: ok 15555 # ring membership passed
201: ok 15556 # correct SSSR count
201: ok 15557 # ring membership passed
201: ok 15558 # correct SSSR count
201: ok 15559 # ring membership passed
201: ok 15560 # correct SSSR count
201: ok 15561 # ring membership passed
201: ok 15562 # correct SSSR count
201: ok 15563 # ring membership passed
201: ok 15564 # correct SSSR count
201: ok 15565 # ring membership passed
201: ok 15566 # correct SSSR count
201: ok 15567 # ring membership passed
201: ok 15568 # correct SSSR count
201: ok 15569 # ring membership passed
201: ok 15570 # correct SSSR count
201: ok 15571 # ring membership passed
201: ok 15572 # correct SSSR count
201: ok 15573 # ring membership passed
201: ok 15574 # correct ring bond data
201: ok 15575 # correct ring bond data
201: ok 15576 # correct ring bond data
201: ok 15577 # correct ring bond data
201: ok 15578 # correct ring bond data
201: ok 15579 # correct ring bond data
201: ok 15580 # correct ring bond data
201: ok 15581 # correct ring bond data
201: ok 15582 # correct ring bond data
201: ok 15583 # correct ring bond data
201: ok 15584 # correct ring bond data
201: ok 15585 # correct ring bond data
201: ok 15586 # correct ring bond data
201: ok 15587 # correct ring bond data
201: ok 15588 # correct ring bond data
201: ok 15589 # correct ring bond data
201: ok 15590 # correct ring bond data
201: ok 15591 # correct ring bond data
201: ok 15592 # correct ring bond data
201: ok 15593 # correct ring bond data
201: ok 15594 # SSSR size matches reference
201: ok 15595 # correct SSSR count
201: ok 15596 # ring membership passed
201: ok 15597 # correct SSSR count
201: ok 15598 # ring membership passed
201: ok 15599 # correct SSSR count
201: ok 15600 # ring membership passed
201: ok 15601 # correct SSSR count
201: ok 15602 # ring membership passed
201: ok 15603 # correct SSSR count
201: ok 15604 # ring membership passed
201: ok 15605 # correct SSSR count
201: ok 15606 # ring membership passed
201: ok 15607 # correct SSSR count
201: ok 15608 # ring membership passed
201: ok 15609 # correct SSSR count
201: ok 15610 # ring membership passed
201: ok 15611 # correct SSSR count
201: ok 15612 # ring membership passed
201: ok 15613 # correct SSSR count
201: ok 15614 # ring membership passed
201: ok 15615 # correct SSSR count
201: ok 15616 # ring membership passed
201: ok 15617 # correct SSSR count
201: ok 15618 # ring membership passed
201: ok 15619 # correct SSSR count
201: ok 15620 # ring membership passed
201: ok 15621 # correct SSSR count
201: ok 15622 # ring membership passed
201: ok 15623 # correct SSSR count
201: ok 15624 # ring membership passed
201: ok 15625 # correct SSSR count
201: ok 15626 # ring membership passed
201: ok 15627 # correct SSSR count
201: ok 15628 # ring membership passed
201: ok 15629 # correct SSSR count
201: ok 15630 # ring membership passed
201: ok 15631 # correct SSSR count
201: ok 15632 # ring membership passed
201: ok 15633 # correct ring bond data
201: ok 15634 # correct ring bond data
201: ok 15635 # correct ring bond data
201: ok 15636 # correct ring bond data
201: ok 15637 # correct ring bond data
201: ok 15638 # correct ring bond data
201: ok 15639 # SSSR size matches reference
201: ok 15640 # correct SSSR count
201: ok 15641 # ring membership passed
201: ok 15642 # correct SSSR count
201: ok 15643 # ring membership passed
201: ok 15644 # correct SSSR count
201: ok 15645 # ring membership passed
201: ok 15646 # correct SSSR count
201: ok 15647 # ring membership passed
201: ok 15648 # correct SSSR count
201: ok 15649 # ring membership passed
201: ok 15650 # correct SSSR count
201: ok 15651 # ring membership passed
201: ok 15652 # correct SSSR count
201: ok 15653 # ring membership passed
201: ok 15654 # correct ring bond data
201: ok 15655 # correct ring bond data
201: ok 15656 # correct ring bond data
201: ok 15657 # correct ring bond data
201: ok 15658 # correct ring bond data
201: ok 15659 # correct ring bond data
201: ok 15660 # SSSR size matches reference
201: ok 15661 # correct SSSR count
201: ok 15662 # ring membership passed
201: ok 15663 # correct SSSR count
201: ok 15664 # ring membership passed
201: ok 15665 # correct SSSR count
201: ok 15666 # ring membership passed
201: ok 15667 # correct SSSR count
201: ok 15668 # ring membership passed
201: ok 15669 # correct SSSR count
201: ok 15670 # ring membership passed
201: ok 15671 # correct SSSR count
201: ok 15672 # ring membership passed
201: ok 15673 # correct SSSR count
201: ok 15674 # ring membership passed
201: ok 15675 # correct ring bond data
201: ok 15676 # correct ring bond data
201: ok 15677 # SSSR size matches reference
201: ok 15678 # correct SSSR count
201: ok 15679 # ring membership passed
201: ok 15680 # correct SSSR count
201: ok 15681 # ring membership passed
201: ok 15682 # correct SSSR count
201: ok 15683 # ring membership passed
201: 1..15683
200/223 Test #200: test_residue_1 ...................   Passed    0.88 sec
test 202
        Start 202: test_smartstest_1

202: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "smartstest" "1"
202: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
202: Environment variables: 
202:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
202:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
202: Test timeout computed to be: 1500
201/223 Test #201: test_ringtest_1 ..................   Passed    0.88 sec
test 203
        Start 203: test_smartsparse_1

203: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "smartsparse" "1"
203: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
203: Environment variables: 
203:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
203:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
203: Test timeout computed to be: 1500
202: 
202: # Testing SMARTS...  
202: ok 1 # molecule passed tests
202: ok 2 # molecule passed tests
202: ok 3 # molecule passed tests
202: ok 4 # molecule passed tests
202: ok 5 # molecule passed tests
202: ok 6 # molecule passed tests
202: ok 7 # molecule passed tests
202: ok 8 # molecule passed tests
202: ok 9 # molecule passed tests
202: ok 10 # molecule passed tests
202: ok 11 # molecule passed tests
202: ok 12 # molecule passed tests
202: ok 13 # molecule passed tests
202: ok 14 # molecule passed tests
202: ok 15 # molecule passed tests
202: ok 16 # molecule passed tests
202: ok 17 # molecule passed tests
202: ok 18 # molecule passed tests
202: ok 19 # molecule passed tests
202: ok 20 # molecule passed tests
202: ok 21 # molecule passed tests
202: ok 22 # molecule passed tests
202: ok 23 # molecule passed tests
202: ok 24 # molecule passed tests
202: ok 25 # molecule passed tests
202: ok 26 # molecule passed tests
202: ok 27 # molecule passed tests
202: ok 28 # molecule passed tests
202: ok 29 # molecule passed tests
202: ok 30 # molecule passed tests
202: ok 31 # molecule passed tests
202: ok 32 # molecule passed tests
202: ok 33 # molecule passed tests
202: ok 34 # molecule passed tests
202: ok 35 # molecule passed tests
202: ok 36 # molecule passed tests
202: ok 37 # molecule passed tests
202: ok 38 # molecule passed tests
202: ok 39 # molecule passed tests
202: ok 40 # molecule passed tests
202: ok 41 # molecule passed tests
202: ok 42 # molecule passed tests
202: ok 43 # molecule passed tests
202: ok 44 # molecule passed tests
202: ok 45 # molecule passed tests
202: ok 46 # molecule passed tests
202: ok 47 # molecule passed tests
202: ok 48 # molecule passed tests
202: ok 49 # molecule passed tests
202: ok 50 # molecule passed tests
202: ok 51 # molecule passed tests
202: ok 52 # molecule passed tests
202: ok 53 # molecule passed tests
202: ok 54 # molecule passed tests
202: ok 55 # molecule passed tests
202: ok 56 # molecule passed tests
202: ok 57 # molecule passed tests
202: ok 58 # molecule passed tests
202: ok 59 # molecule passed tests
202: ok 60 # molecule passed tests
202: ok 61 # molecule passed tests
202: ok 62 # molecule passed tests
202: ok 63 # molecule passed tests
202: ok 64 # molecule passed tests
202: ok 65 # molecule passed tests
202: ok 66 # molecule passed tests
202: ok 67 # molecule passed tests
202: ok 68 # molecule passed tests
202: ok 69 # molecule passed tests
202: ok 70 # molecule passed tests
202: ok 71 # molecule passed tests
202: ok 72 # molecule passed tests
202: ok 73 # molecule passed tests
202: ok 74 # molecule passed tests
202: ok 75 # molecule passed tests
202: ok 76 # molecule passed tests
202: ok 77 # molecule passed tests
202: ok 78 # molecule passed tests
202: ok 79 # molecule passed tests
202: ok 80 # molecule passed tests
202: ok 81 # molecule passed tests
202: ok 82 # molecule passed tests
202: ok 83 # molecule passed tests
202: ok 84 # molecule passed tests
202: ok 85 # molecule passed tests
202: ok 86 # molecule passed tests
202: ok 87 # molecule passed tests
202: ok 88 # molecule passed tests
202: ok 89 # molecule passed tests
202: ok 90 # molecule passed tests
202: ok 91 # molecule passed tests
202: ok 92 # molecule passed tests
202: ok 93 # molecule passed tests
202: ok 94 # molecule passed tests
202: ok 95 # molecule passed tests
202: ok 96 # molecule passed tests
202: ok 97 # molecule passed tests
202: ok 98 # molecule passed tests
202: ok 99 # molecule passed tests
202: ok 100 # molecule passed tests
202: ok 101 # molecule passed tests
202: ok 102 # molecule passed tests
202: ok 103 # molecule passed tests
202: ok 104 # molecule passed tests
202: ok 105 # molecule passed tests
202: ok 106 # molecule passed tests
202: ok 107 # molecule passed tests
202: ok 108 # molecule passed tests
202: ok 109 # molecule passed tests
202: ok 110 # molecule passed tests
202: ok 111 # molecule passed tests
202: ok 112 # molecule passed tests
202: ok 113 # molecule passed tests
202: ok 114 # molecule passed tests
202: ok 115 # molecule passed tests
202: ok 116 # molecule passed tests
202: ok 117 # molecule passed tests
202: ok 118 # molecule passed tests
202: ok 119 # molecule passed tests
202: ok 120 # molecule passed tests
202: ok 121 # molecule passed tests
202: ok 122 # molecule passed tests
202: ok 123 # molecule passed tests
202: ok 124 # molecule passed tests
202: ok 125 # molecule passed tests
202: ok 126 # molecule passed tests
202: ok 127 # molecule passed tests
202: ok 128 # molecule passed tests
202: ok 129 # molecule passed tests
202: ok 130 # molecule passed tests
202: ok 131 # molecule passed tests
202: ok 132 # molecule passed tests
202: ok 133 # molecule passed tests
202: ok 134 # molecule passed tests
203: # Testing SMARTS Parsing...  
203: ok 1
203: ok 2
203: ok 3
203: ok 4
203: ok 5
203: ok 6
203: ok 7
203: ok 8
203: ok 9
203: ok 10
203: ok 11
203: ok 12
203: ok 13
203: ok 14
203: ok 15
203: ok 16
203: ok 17
203: ok 18
203: ok 19
203: ok 20
203: ok 21
203: ok 22
203: ok 23
203: ok 24
203: ok 25
203: ok 26
203: ok 27
203: ok 28
203: ok 29
203: ok 30
203: ok 31
203: ok 32
203: ok 33
203: ok 34
203: ok 35
203: ok 36
203: ok 37
203: ok 38
203: ok 39
203: ok 40
203: ok 41
203: ok 42
203: ok 43
203: ok 44
203: ok 45
203: ok 46
203: ok 47
203: ok 48
203: ok 49
203: ok 50
203: ok 51
203: ok 52
203: ok 53
203: ok 54
203: ok 55
203: ok 56
203: ok 57
203: ok 58
203: ok 59
203: ok 60
203: ok 61
203: ok 62
203: ok 63
203: ok 64
203: ok 65
203: ok 66
203: ok 67
203: ok 68
203: ok 69
203: ok 70
203: ok 71
203: ok 72
203: ok 73
203: ok 74
203: ok 75
203: ok 76
203: ok 77
203: ok 78
203: ok 79
203: ok 80
203: ok 81
203: ok 82
203: ok 83
203: ok 84
203: ok 85
203: ok 86
203: ok 87
203: ok 88
203: ok 89
203: ok 90
203: ok 91
203: ok 92
203: ok 93
203: ok 94
203: ok 95
203: ok 96
203: ok 97
203: ok 98
203: ok 99
203: ok 100
203: ok 101
203: ok 102
203: ok 103
203: ok 104
203: ok 105
203: ok 106
203: ok 107
203: ok 108
203: ok 109
203: ok 110
203: ok 111
203: ok 112
203: ok 113
203: ok 114
203: ok 115
203: ok 116
203: ok 117
203: ok 118
203: ok 119
203: ok 120
203: ok 121
203: ok 122
203: ok 123
203: ok 124
203: ok 125
203: ok 126
203: ok 127
203: ok 128
203: ok 129
203: ok 130
203: ok 131
203: ok 132
203: ok 133
203: ok 134
203: ok 135
203: ok 136
203: ok 137
203: ok 138
203: ok 139
203: ok 140
203: ok 141
203: ok 142
203: ok 143
203: ok 144
203: ok 145
203: ok 146
203: ok 147
203: ok 148
203: ok 149
203: ok 150
203: ok 151
203: ok 152
203: ok 153
203: ok 154
203: ok 155
203: ok 156
203: ok 157
203: ok 158
203: ok 159
203: ok 160
203: ok 161
203: ok 162
203: ok 163
203: ok 164
203: ok 165
203: ok 166
203: ok 167
203: ok 168
203: ok 169
203: ok 170
203: ok 171
203: ok 172
203: ok 173
203: ok 174
203: ok 175
203: ok 176
203: ok 177
203: ok 178
203: ok 179
203: ok 180
203: ok 181
203: ok 182
203: ok 183
203: ok 184
203: ok 185
203: ok 186
203: ok 187
203: ok 188
203: ok 189
203: ok 190
203: ok 191
203: ok 192
203: ok 193
203: ok 194
203: ok 195
203: ok 196
203: ok 197
203: ok 198
203: ok 199
203: ok 200
203: ok 201
203: ok 202
203: ok 203
203: ok 204
203: ok 205
203: ok 206
203: ok 207
203: ok 208
203: ok 209
203: ok 210
203: ok 211
203: ok 212
203: ok 213
203: ok 214
203: ok 215
203: ok 216
203: ok 217
203: ok 218
203: ok 219
203: ok 220
203: ok 221
203: ok 222
203: ok 223
203: ok 224
203: ok 225
203: ok 226
203: ok 227
203: ok 228
203: 1..228
202/223 Test #203: test_smartsparse_1 ...............   Passed    0.03 sec
test 204
        Start 204: test_smilesmatch_1

204: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "smilesmatch" "1"
204: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
204: Environment variables: 
204:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
204:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
204: Test timeout computed to be: 1500
204: 
202: ok 135 # molecule passed tests
202: ok 136 # molecule passed tests
202: ok 137 # molecule passed tests
202: ok 138 # molecule passed tests
202: ok 139 # molecule passed tests
202: ok 140 # molecule passed tests
202: ok 141 # molecule passed tests
202: ok 142 # molecule passed tests
202: ok 143 # molecule passed tests
202: ok 144 # molecule passed tests
202: ok 145 # molecule passed tests
202: ok 146 # molecule passed tests
202: ok 147 # molecule passed tests
202: ok 148 # molecule passed tests
202: ok 149 # molecule passed tests
202: ok 150 # molecule passed tests
202: ok 151 # molecule passed tests
202: ok 152 # molecule passed tests
202: ok 153 # molecule passed tests
202: ok 154 # molecule passed tests
202: ok 155 # molecule passed tests
202: ok 156 # molecule passed tests
202: ok 157 # molecule passed tests
202: ok 158 # molecule passed tests
202: ok 159 # molecule passed tests
202: ok 160 # molecule passed tests
202: ok 161 # molecule passed tests
202: ok 162 # molecule passed tests
202: ok 163 # molecule passed tests
202: ok 164 # molecule passed tests
202: ok 165 # molecule passed tests
202: ok 166 # molecule passed tests
202: ok 167 # molecule passed tests
202: ok 168 # molecule passed tests
202: ok 169 # molecule passed tests
202: ok 170 # molecule passed tests
202: ok 171 # molecule passed tests
202: ok 172 # molecule passed tests
202: ok 173 # molecule passed tests
202: ok 174 # molecule passed tests
202: ok 175 # molecule passed tests
202: ok 176 # molecule passed tests
202: ok 177 # molecule passed tests
202: ok 178 # molecule passed tests
202: ok 179 # molecule passed tests
202: ok 180 # molecule passed tests
202: ok 181 # molecule passed tests
202: ok 182 # molecule passed tests
202: ok 183 # molecule passed tests
202: ok 184 # molecule passed tests
202: ok 185 # molecule passed tests
202: ok 186 # molecule passed tests
202: ok 187 # molecule passed tests
202: ok 188 # molecule passed tests
202: ok 189 # molecule passed tests
202: ok 190 # molecule passed tests
202: ok 191 # molecule passed tests
202: ok 192 # molecule passed tests
202: ok 193 # molecule passed tests
202: ok 194 # molecule passed tests
202: ok 195 # molecule passed tests
202: ok 196 # molecule passed tests
202: ok 197 # molecule passed tests
202: ok 198 # molecule passed tests
202: ok 199 # molecule passed tests
202: ok 200 # molecule passed tests
202: ok 201 # molecule passed tests
202: ok 202 # molecule passed tests
202: ok 203 # molecule passed tests
202: ok 204 # molecule passed tests
202: ok 205 # molecule passed tests
202: ok 206 # molecule passed tests
202: ok 207 # molecule passed tests
202: ok 208 # molecule passed tests
202: ok 209 # molecule passed tests
202: ok 210 # molecule passed tests
202: ok 211 # molecule passed tests
202: ok 212 # molecule passed tests
202: ok 213 # molecule passed tests
202: ok 214 # molecule passed tests
202: ok 215 # molecule passed tests
202: ok 216 # molecule passed tests
202: ok 217 # molecule passed tests
202: ok 218 # molecule passed tests
202: ok 219 # molecule passed tests
202: ok 220 # molecule passed tests
202: ok 221 # molecule passed tests
202: ok 222 # molecule passed tests
202: ok 223 # molecule passed tests
202: ok 224 # molecule passed tests
202: ok 225 # molecule passed tests
202: ok 226 # molecule passed tests
202: ok 227 # molecule passed tests
202: ok 228 # molecule passed tests
202: ok 229 # molecule passed tests
202: ok 230 # molecule passed tests
202: ok 231 # molecule passed tests
202: ok 232 # molecule passed tests
202: ok 233 # molecule passed tests
202: ok 234 # molecule passed tests
202: ok 235 # molecule passed tests
202: ok 236 # molecule passed tests
202: ok 237 # molecule passed tests
202: ok 238 # molecule passed tests
202: ok 239 # molecule passed tests
202: ok 240 # molecule passed tests
202: ok 241 # molecule passed tests
202: ok 242 # molecule passed tests
202: ok 243 # molecule passed tests
202: ok 244 # molecule passed tests
202: ok 245 # molecule passed tests
202: ok 246 # molecule passed tests
202: ok 247 # molecule passed tests
202: ok 248 # molecule passed tests
202: ok 249 # molecule passed tests
202: ok 250 # molecule passed tests
202: ok 251 # molecule passed tests
202: ok 252 # molecule passed tests
202: ok 253 # molecule passed tests
202: ok 254 # molecule passed tests
202: ok 255 # molecule passed tests
202: ok 256 # molecule passed tests
202: ok 257 # molecule passed tests
202: ok 258 # molecule passed tests
202: ok 259 # molecule passed tests
202: ok 260 # molecule passed tests
202: ok 261 # molecule passed tests
202: ok 262 # molecule passed tests
202: ok 263 # molecule passed tests
202: ok 264 # molecule passed tests
202: ok 265 # molecule passed tests
202: ok 266 # molecule passed tests
202: ok 267 # molecule passed tests
202: ok 268 # molecule passed tests
202: ok 269 # molecule passed tests
202: ok 270 # molecule passed tests
202: ok 271 # molecule passed tests
202: ok 272 # molecule passed tests
202: 1..272
203/223 Test #202: test_smartstest_1 ................   Passed    0.15 sec
test 205
        Start 205: test_unitcell_1

205: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "unitcell" "1"
205: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
205: Environment variables: 
205:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
205:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
205: Test timeout computed to be: 1500
205: # Testing unit cell transformations ...
205: 1..12
205: ok 1 # a distance
205: ok 2 # b distance
205: ok 3 # c distance
205: ok 4 # alpha angle
205: ok 5 # beta angle
205: ok 6 # gamma angle
205: ok 7 # a distance
205: ok 8 # b distance
205: ok 9 # c distance
205: ok 10 # a angle
205: ok 11 # beta angle
205: ok 12 # gamma angle
205: # Testing unit cell coordinate functions ...
205: 13..24
205: ok 13 # wrapped cartesian x
205: ok 14 # wrapped cartesian y
205: ok 15 # wrapped cartesian z
205: ok 16 # wrapped fractional x
205: ok 17 # wrapped fractional y
205: ok 18 # wrapped fractional z
205: ok 19 # cart2frac x
205: ok 20 # cart2frac y
205: ok 21 # cart2frac z
205: ok 22 # frac2cart x
205: ok 23 # frac2cart y
205: ok 24 # frac2cart z
205: # cell volume 45.64
205: # lattice type 2
205: # cell volume 45.64
205: # lattice type 2
204/223 Test #205: test_unitcell_1 ..................   Passed    0.01 sec
test 206
        Start 206: test_cmlreadfile_1

206: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_runner "cmlreadfile" "1"
206: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
206: Environment variables: 
206:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
206:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
206: Test timeout computed to be: 1500
204: # Testing SMILES self-matching using SMARTS...  
204: ok 1 # SMARTS matched the SMILES molecule
204: ok 2 # SMARTS matched the SMILES molecule
204: ok 3 # SMARTS matched the SMILES molecule
204: ok 4 # SMARTS matched the SMILES molecule
204: ok 5 # SMARTS matched the SMILES molecule
204: ok 6 # SMARTS matched the SMILES molecule
204: ok 7 # SMARTS matched the SMILES molecule
204: ok 8 # SMARTS matched the SMILES molecule
204: ok 9 # SMARTS matched the SMILES molecule
204: ok 10 # SMARTS matched the SMILES molecule
204: ok 11 # SMARTS matched the SMILES molecule
204: ok 12 # SMARTS matched the SMILES molecule
204: ok 13 # SMARTS matched the SMILES molecule
204: ok 14 # SMARTS matched the SMILES molecule
204: ok 15 # SMARTS matched the SMILES molecule
204: ok 16 # SMARTS matched the SMILES molecule
204: ok 17 # SMARTS matched the SMILES molecule
204: ok 18 # SMARTS matched the SMILES molecule
204: ok 19 # SMARTS matched the SMILES molecule
204: ok 20 # SMARTS matched the SMILES molecule
204: ok 21 # SMARTS matched the SMILES molecule
204: ok 22 # SMARTS matched the SMILES molecule
204: ok 23 # SMARTS matched the SMILES molecule
204: ok 24 # SMARTS matched the SMILES molecule
204: ok 25 # SMARTS matched the SMILES molecule
204: ok 26 # SMARTS matched the SMILES molecule
204: ok 27 # SMARTS matched the SMILES molecule
204: ok 28 # SMARTS matched the SMILES molecule
204: ok 29 # SMARTS matched the SMILES molecule
204: ok 30 # SMARTS matched the SMILES molecule
204: ok 31 # SMARTS matched the SMILES molecule
204: ok 32 # SMARTS matched the SMILES molecule
204: ok 33 # SMARTS matched the SMILES molecule
204: ok 34 # SMARTS matched the SMILES molecule
204: ok 35 # SMARTS matched the SMILES molecule
204: ok 36 # SMARTS matched the SMILES molecule
204: ok 37 # SMARTS matched the SMILES molecule
204: ok 38 # SMARTS matched the SMILES molecule
204: ok 39 # SMARTS matched the SMILES molecule
204: ok 40 # SMARTS matched the SMILES molecule
204: ok 41 # SMARTS matched the SMILES molecule
204: ok 42 # SMARTS matched the SMILES molecule
204: ok 43 # SMARTS matched the SMILES molecule
204: ok 44 # SMARTS matched the SMILES molecule
204: ok 45 # SMARTS matched the SMILES molecule
204: ok 46 # SMARTS matched the SMILES molecule
204: ok 47 # SMARTS matched the SMILES molecule
204: ok 48 # SMARTS matched the SMILES molecule
204: ok 49 # SMARTS matched the SMILES molecule
204: ok 50 # SMARTS matched the SMILES molecule
204: ok 51 # SMARTS matched the SMILES molecule
204: ok 52 # SMARTS matched the SMILES molecule
204: ok 53 # SMARTS matched the SMILES molecule
204: ok 54 # SMARTS matched the SMILES molecule
204: ok 55 # SMARTS matched the SMILES molecule
204: ok 56 # SMARTS matched the SMILES molecule
204: ok 57 # SMARTS matched the SMILES molecule
204: ok 58 # SMARTS matched the SMILES molecule
204: ok 59 # SMARTS matched the SMILES molecule
204: ok 60 # SMARTS matched the SMILES molecule
204: ok 61 # SMARTS matched the SMILES molecule
204: ok 62 # SMARTS matched the SMILES molecule
204: ok 63 # SMARTS matched the SMILES molecule
204: ok 64 # SMARTS matched the SMILES molecule
204: ok 65 # SMARTS matched the SMILES molecule
204: ok 66 # SMARTS matched the SMILES molecule
204: ok 67 # SMARTS matched the SMILES molecule
204: ok 68 # SMARTS matched the SMILES molecule
204: ok 69 # SMARTS matched the SMILES molecule
204: ok 70 # SMARTS matched the SMILES molecule
204: ok 71 # SMARTS matched the SMILES molecule
204: ok 72 # SMARTS matched the SMILES molecule
204: ok 73 # SMARTS matched the SMILES molecule
204: ok 74 # SMARTS matched the SMILES molecule
204: ok 75 # SMARTS matched the SMILES molecule
204: ok 76 # SMARTS matched the SMILES molecule
204: ok 77 # SMARTS matched the SMILES molecule
204: ok 78 # SMARTS matched the SMILES molecule
204: ok 79 # SMARTS matched the SMILES molecule
204: ok 80 # SMARTS matched the SMILES molecule
204: ok 81 # SMARTS matched the SMILES molecule
204: ok 82 # SMARTS matched the SMILES molecule
204: ok 83 # SMARTS matched the SMILES molecule
204: ok 84 # SMARTS matched the SMILES molecule
204: ok 85 # SMARTS matched the SMILES molecule
204: ok 86 # SMARTS matched the SMILES molecule
204: ok 87 # SMARTS matched the SMILES molecule
204: ok 88 # SMARTS matched the SMILES molecule
204: ok 89 # SMARTS matched the SMILES molecule
204: ok 90 # SMARTS matched the SMILES molecule
204: ok 91 # SMARTS matched the SMILES molecule
204: ok 92 # SMARTS matched the SMILES molecule
204: ok 93 # SMARTS matched the SMILES molecule
204: ok 94 # SMARTS matched the SMILES molecule
206: # Unit tests for OBMol 
206: ok 1
206: ok 2!
206: ok 3!
206: ok 4!
206: ok 5!
206: 1..5
205/223 Test #206: test_cmlreadfile_1 ...............   Passed    0.08 sec
test 207
        Start 207: inchiSamples.sdf_Test

207: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_inchiwrite "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/Samples.sdf" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/Samples.sdf.txt"
207: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
207: Environment variables: 
207:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
207:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
207: Test timeout computed to be: 1500
207: ==============================
207: *** Open Babel Warning  in InChI code
207:   2Ferrocene :Accepted unusual valence(s): Fe(10); C(5); C-1(4);
207: ==============================
207: *** Open Babel Warning  in InChI code
207:   cancel_charges :Charges neutralized
207: ==============================
207: *** Open Babel Warning  in InChI code
207:   cuneane :Ambiguous stereo: center(s)
207: ==============================
207: *** Open Babel Warning  in InChI code
207:   trad :Accepted unusual valence(s): O-1,d(2); H,t(1)
207: 1..41
207:  # molecules converted
207: ok 1 # InChI matched expected
207: ok 2 # InChI matched expected
207: ok 3 # InChI matched expected
207: ok 4 # InChI matched expected
207: ok 5 # InChI matched expected
207: ok 6 # InChI matched expected
207: ok 7 # InChI matched expected
207: ok 8 # InChI matched expected
207: ok 9 # InChI matched expected
207: ok 10 # ignored empty InChI
207: ok 11 # ignored empty InChI
207: ok 12 # ignored empty InChI
207: ok 13 # InChI matched expected
207: ok 14 # InChI matched expected
207: ok 15 # InChI matched expected
207: ok 16 # InChI matched expected
207: ok 17 # InChI matched expected
207: ok 18 # InChI matched expected
207: ok 19 # InChI matched expected
207: ok 20 # InChI matched expected
207: ok 21 # InChI matched expected
207: ok 22 # InChI matched expected
207: ok 23 # InChI matched expected
207: ok 24 # InChI matched expected
207: ok 25 # InChI matched expected
207: ok 26 # InChI matched expected
207: ok 27 # ignored empty InChI
207: ok 28 # ignored empty InChI
207: ok 29 # InChI matched expected
207: ok 30 # InChI matched expected
207: ok 31 # InChI matched expected
207: ok 32 # InChI matched expected
207: ok 33 # InChI matched expected
207: ok 34 # InChI matched expected
207: ok 35 # InChI matched expected
207: ok 36 # InChI matched expected
207: ok 37 # InChI matched expected
207: ok 38 # InChI matched expected
207: ok 39 # InChI matched expected
207: ok 40 # InChI matched expected
207: ok 41 # InChI matched expected
207: 36 molecules compared
207: # 5 # empty molecules skipped
207: 0 failures
206/223 Test #207: inchiSamples.sdf_Test ............   Passed    0.16 sec
test 208
        Start 208: inchiSamplesTechMan.sdf_Test

208: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_inchiwrite "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/SamplesTechMan.sdf" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/SamplesTechMan.sdf.txt"
208: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
208: Environment variables: 
208:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
208:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
208: Test timeout computed to be: 1500
208: ==============================
208: *** Open Babel Warning  in InChI code
208:   Table04 :Salt was disconnected;
208: ==============================
208: *** Open Babel Warning  in InChI code
208:   Table09 :Ambiguous stereo: center(s);
208: ==============================
208: *** Open Babel Warning  in InChI code
208:   Table10 :Ambiguous stereo: center(s)
208: 1..44
208:  # molecules converted
208: ok 1 # InChI matched expected
208: ok 2 # InChI matched expected
208: ok 3 # InChI matched expected
208: ok 4 # InChI matched expected
208: ok 5 # InChI matched expected
208: ok 6 # InChI matched expected
208: ok 7 # InChI matched expected
208: ok 8 # InChI matched expected
208: ok 9 # InChI matched expected
208: ok 10 # InChI matched expected
208: ok 11 # InChI matched expected
208: ok 12 # InChI matched expected
208: ok 13 # InChI matched expected
208: ok 14 # InChI matched expected
208: ok 15 # InChI matched expected
208: ok 16 # InChI matched expected
208: ok 17 # InChI matched expected
208: ok 18 # InChI matched expected
208: ok 19 # InChI matched expected
208: ok 20 # InChI matched expected
208: ok 21 # InChI matched expected
208: ok 22 # InChI matched expected
208: ok 23 # InChI matched expected
208: ok 24 # InChI matched expected
208: ok 25 # InChI matched expected
208: ok 26 # ignored empty InChI
208: ok 27 # InChI matched expected
208: ok 28 # InChI matched expected
208: ok 29 # ignored empty InChI
208: ok 30 # InChI matched expected
208: ok 31 # ignored empty InChI
208: ok 32 # InChI matched expected
208: ok 33 # InChI matched expected
208: ok 34 # ignored empty InChI
208: ok 35 # InChI matched expected
208: ok 36 # InChI matched expected
208: ok 37 # InChI matched expected
208: ok 38 # InChI matched expected
208: ok 39 # ignored empty InChI
208: ok 40 # InChI matched expected
208: ok 41 # InChI matched expected
208: ok 42 # ignored empty InChI
208: ok 43 # ignored empty InChI
208: ok 44 # ignored empty InChI
208: 36 molecules compared
208: # 8 # empty molecules skipped
208: 0 failures
207/223 Test #208: inchiSamplesTechMan.sdf_Test .....   Passed    0.07 sec
test 209
        Start 209: inchiSteffen_PubChem.smi_Test

209: Test command: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/bin/test_inchiwrite "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/Steffen_PubChem.smi" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/inchi/Steffen_PubChem.smi.txt"
209: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
209: Environment variables: 
209:  BABEL_DATADIR=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/data
209:  LD_LIBRARY_PATH=/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64:
209: Test timeout computed to be: 1500
209: ==============================
209: *** Open Babel Warning  in InChI code
209:   #6 :Accepted unusual valence(s): C(3);
209: ==============================
209: *** Open Babel Warning  in InChI code
209:   #8 :Salt was disconnected;
209: ==============================
209: *** Open Babel Warning  in InChI code
209:   #30 :Salt was disconnected;
209: 1..34
209:  # molecules converted
209: ok 1 # InChI matched expected
209: ok 2 # InChI matched expected
209: ok 3 # InChI matched expected
209: ok 4 # InChI matched expected
209: ok 5 # InChI matched expected
209: ok 6 # InChI matched expected
209: ok 7 # InChI matched expected
209: ok 8 # InChI matched expected
209: ok 9 # InChI matched expected
209: ok 10 # InChI matched expected
209: ok 11 # InChI matched expected
209: ok 12 # InChI matched expected
209: ok 13 # InChI matched expected
209: ok 14 # InChI matched expected
209: ok 15 # InChI matched expected
209: ok 16 # InChI matched expected
209: ok 17 # InChI matched expected
209: ok 18 # InChI matched expected
209: ok 19 # InChI matched expected
209: ok 20 # InChI matched expected
209: ok 21 # InChI matched expected
209: ok 22 # InChI matched expected
209: ok 23 # InChI matched expected
209: ok 24 # InChI matched expected
209: ok 25 # InChI matched expected
209: ok 26 # InChI matched expected
209: ok 27 # InChI matched expected
209: ok 28 # InChI matched expected
209: ok 29 # InChI matched expected
209: ok 30 # InChI matched expected
209: ok 31 # InChI matched expected
209: ok 32 # InChI matched expected
209: ok 33 # InChI matched expected
209: ok 34 # InChI matched expected
209: 34 molecules compared
209: # 0 # empty molecules skipped
209: 0 failures
208/223 Test #209: inchiSteffen_PubChem.smi_Test ....   Passed    0.05 sec
test 210
        Start 210: pytest_babel

210: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pytest_babel.cmake"
210: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
210: Test timeout computed to be: 1500
204: ok 95 # SMARTS matched the SMILES molecule
204: ok 96 # SMARTS matched the SMILES molecule
204: ok 97 # SMARTS matched the SMILES molecule
204: ok 98 # SMARTS matched the SMILES molecule
204: ok 99 # SMARTS matched the SMILES molecule
204: ok 100 # SMARTS matched the SMILES molecule
204: ok 101 # SMARTS matched the SMILES molecule
204: ok 102 # SMARTS matched the SMILES molecule
204: ok 103 # SMARTS matched the SMILES molecule
204: ok 104 # SMARTS matched the SMILES molecule
204: ok 105 # SMARTS matched the SMILES molecule
204: ok 106 # SMARTS matched the SMILES molecule
204: ok 107 # SMARTS matched the SMILES molecule
204: ok 108 # SMARTS matched the SMILES molecule
204: ok 109 # SMARTS matched the SMILES molecule
204: ok 110 # SMARTS matched the SMILES molecule
204: ok 111 # SMARTS matched the SMILES molecule
204: ok 112 # SMARTS matched the SMILES molecule
204: ok 113 # SMARTS matched the SMILES molecule
204: ok 114 # SMARTS matched the SMILES molecule
204: ok 115 # SMARTS matched the SMILES molecule
204: ok 116 # SMARTS matched the SMILES molecule
204: ok 117 # SMARTS matched the SMILES molecule
204: ok 118 # SMARTS matched the SMILES molecule
204: ok 119 # SMARTS matched the SMILES molecule
204: ok 120 # SMARTS matched the SMILES molecule
204: ok 121 # SMARTS matched the SMILES molecule
204: ok 122 # SMARTS matched the SMILES molecule
204: ok 123 # SMARTS matched the SMILES molecule
204: ok 124 # SMARTS matched the SMILES molecule
204: ok 125 # SMARTS matched the SMILES molecule
204: ok 126 # SMARTS matched the SMILES molecule
204: ok 127 # SMARTS matched the SMILES molecule
204: ok 128 # SMARTS matched the SMILES molecule
204: ok 129 # SMARTS matched the SMILES molecule
204: ok 130 # SMARTS matched the SMILES molecule
204: ok 131 # SMARTS matched the SMILES molecule
204: ok 132 # SMARTS matched the SMILES molecule
204: ok 133 # SMARTS matched the SMILES molecule
204: ok 134 # SMARTS matched the SMILES molecule
204: ok 135 # SMARTS matched the SMILES molecule
204: ok 136 # SMARTS matched the SMILES molecule
204: ok 137 # SMARTS matched the SMILES molecule
204: ok 138 # SMARTS matched the SMILES molecule
204: ok 139 # SMARTS matched the SMILES molecule
204: ok 140 # SMARTS matched the SMILES molecule
204: ok 141 # SMARTS matched the SMILES molecule
204: ok 142 # SMARTS matched the SMILES molecule
204: ok 143 # SMARTS matched the SMILES molecule
204: ok 144 # SMARTS matched the SMILES molecule
204: ok 145 # SMARTS matched the SMILES molecule
204: ok 146 # SMARTS matched the SMILES molecule
204: ok 147 # SMARTS matched the SMILES molecule
204: ok 148 # SMARTS matched the SMILES molecule
204: ok 149 # SMARTS matched the SMILES molecule
204: ok 150 # SMARTS matched the SMILES molecule
204: ok 151 # SMARTS matched the SMILES molecule
204: ok 152 # SMARTS matched the SMILES molecule
204: ok 153 # SMARTS matched the SMILES molecule
204: ok 154 # SMARTS matched the SMILES molecule
204: ok 155 # SMARTS matched the SMILES molecule
204: ok 156 # SMARTS matched the SMILES molecule
204: ok 157 # SMARTS matched the SMILES molecule
204: ok 158 # SMARTS matched the SMILES molecule
204: ok 159 # SMARTS matched the SMILES molecule
204: ok 160 # SMARTS matched the SMILES molecule
204: ok 161 # SMARTS matched the SMILES molecule
204: ok 162 # SMARTS matched the SMILES molecule
204: ok 163 # SMARTS matched the SMILES molecule
204: ok 164 # SMARTS matched the SMILES molecule
204: ok 165 # SMARTS matched the SMILES molecule
204: ok 166 # SMARTS matched the SMILES molecule
204: ok 167 # SMARTS matched the SMILES molecule
204: ok 168 # SMARTS matched the SMILES molecule
204: ok 169 # SMARTS matched the SMILES molecule
204: ok 170 # SMARTS matched the SMILES molecule
204: ok 171 # SMARTS matched the SMILES molecule
204: ok 172 # SMARTS matched the SMILES molecule
204: ok 173 # SMARTS matched the SMILES molecule
204: ok 174 # SMARTS matched the SMILES molecule
204: ok 175 # SMARTS matched the SMILES molecule
204: ok 176 # SMARTS matched the SMILES molecule
204: ok 177 # SMARTS matched the SMILES molecule
204: ok 178 # SMARTS matched the SMILES molecule
204: ok 179 # SMARTS matched the SMILES molecule
204: ok 180 # SMARTS matched the SMILES molecule
204: ok 181 # SMARTS matched the SMILES molecule
204: ok 182 # SMARTS matched the SMILES molecule
204: ok 183 # SMARTS matched the SMILES molecule
204: ok 184 # SMARTS matched the SMILES molecule
204: ok 185 # SMARTS matched the SMILES molecule
204: ok 186 # SMARTS matched the SMILES molecule
204: ok 187 # SMARTS matched the SMILES molecule
204: ok 188 # SMARTS matched the SMILES molecule
204: ok 189 # SMARTS matched the SMILES molecule
204: ok 190 # SMARTS matched the SMILES molecule
204: ok 191 # SMARTS matched the SMILES molecule
204: ok 192 # SMARTS matched the SMILES molecule
204: ok 193 # SMARTS matched the SMILES molecule
204: ok 194 # SMARTS matched the SMILES molecule
204: ok 195 # SMARTS matched the SMILES molecule
204: ok 196 # SMARTS matched the SMILES molecule
204: ok 197 # SMARTS matched the SMILES molecule
204: ok 198 # SMARTS matched the SMILES molecule
204: ok 199 # SMARTS matched the SMILES molecule
204: ok 200 # SMARTS matched the SMILES molecule
204: ok 201 # SMARTS matched the SMILES molecule
204: ok 202 # SMARTS matched the SMILES molecule
204: ok 203 # SMARTS matched the SMILES molecule
204: ok 204 # SMARTS matched the SMILES molecule
204: ok 205 # SMARTS matched the SMILES molecule
204: ok 206 # SMARTS matched the SMILES molecule
204: ok 207 # SMARTS matched the SMILES molecule
204: ok 208 # SMARTS matched the SMILES molecule
204: ok 209 # SMARTS matched the SMILES molecule
204: ok 210 # SMARTS matched the SMILES molecule
204: ok 211 # SMARTS matched the SMILES molecule
204: ok 212 # SMARTS matched the SMILES molecule
204: ok 213 # SMARTS matched the SMILES molecule
204: ok 214 # SMARTS matched the SMILES molecule
204: ok 215 # SMARTS matched the SMILES molecule
204: ok 216 # SMARTS matched the SMILES molecule
204: ok 217 # SMARTS matched the SMILES molecule
204: ok 218 # SMARTS matched the SMILES molecule
204: ok 219 # SMARTS matched the SMILES molecule
204: ok 220 # SMARTS matched the SMILES molecule
204: ok 221 # SMARTS matched the SMILES molecule
204: ok 222 # SMARTS matched the SMILES molecule
204: ok 223 # SMARTS matched the SMILES molecule
204: ok 224 # SMARTS matched the SMILES molecule
204: ok 225 # SMARTS matched the SMILES molecule
204: ok 226 # SMARTS matched the SMILES molecule
204: ok 227 # SMARTS matched the SMILES molecule
204: ok 228 # SMARTS matched the SMILES molecule
204: ok 229 # SMARTS matched the SMILES molecule
204: ok 230 # SMARTS matched the SMILES molecule
204: ok 231 # SMARTS matched the SMILES molecule
204: ok 232 # SMARTS matched the SMILES molecule
204: ok 233 # SMARTS matched the SMILES molecule
204: ok 234 # SMARTS matched the SMILES molecule
204: ok 235 # SMARTS matched the SMILES molecule
204: ok 236 # SMARTS matched the SMILES molecule
204: ok 237 # SMARTS matched the SMILES molecule
204: ok 238 # SMARTS matched the SMILES molecule
204: ok 239 # SMARTS matched the SMILES molecule
204: ok 240 # SMARTS matched the SMILES molecule
204: ok 241 # SMARTS matched the SMILES molecule
204: ok 242 # SMARTS matched the SMILES molecule
204: ok 243 # SMARTS matched the SMILES molecule
204: ok 244 # SMARTS matched the SMILES molecule
204: ok 245 # SMARTS matched the SMILES molecule
204: ok 246 # SMARTS matched the SMILES molecule
204: ok 247 # SMARTS matched the SMILES molecule
204: ok 248 # SMARTS matched the SMILES molecule
204: ok 249 # SMARTS matched the SMILES molecule
204: ok 250 # SMARTS matched the SMILES molecule
204: ok 251 # SMARTS matched the SMILES molecule
204: ok 252 # SMARTS matched the SMILES molecule
204: ok 253 # SMARTS matched the SMILES molecule
204: ok 254 # SMARTS matched the SMILES molecule
204: ok 255 # SMARTS matched the SMILES molecule
204: ok 256 # SMARTS matched the SMILES molecule
204: ok 257 # SMARTS matched the SMILES molecule
204: ok 258 # SMARTS matched the SMILES molecule
204: ok 259 # SMARTS matched the SMILES molecule
204: ok 260 # SMARTS matched the SMILES molecule
204: ok 261 # SMARTS matched the SMILES molecule
204: ok 262 # SMARTS matched the SMILES molecule
204: ok 263 # SMARTS matched the SMILES molecule
204: ok 264 # SMARTS matched the SMILES molecule
204: ok 265 # SMARTS matched the SMILES molecule
204: ok 266 # SMARTS matched the SMILES molecule
204: ok 267 # SMARTS matched the SMILES molecule
204: ok 268 # SMARTS matched the SMILES molecule
204: ok 269 # SMARTS matched the SMILES molecule
204: ok 270 # SMARTS matched the SMILES molecule
204: ok 271 # SMARTS matched the SMILES molecule
204: ok 272 # SMARTS matched the SMILES molecule
204: ok 273 # SMARTS matched the SMILES molecule
204: ok 274 # SMARTS matched the SMILES molecule
204: ok 275 # SMARTS matched the SMILES molecule
204: ok 276 # SMARTS matched the SMILES molecule
204: ok 277 # SMARTS matched the SMILES molecule
204: ok 278 # SMARTS matched the SMILES molecule
204: ok 279 # SMARTS matched the SMILES molecule
204: ok 280 # SMARTS matched the SMILES molecule
210: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
204: ok 281 # SMARTS matched the SMILES molecule
204: ok 282 # SMARTS matched the SMILES molecule
204: ok 283 # SMARTS matched the SMILES molecule
204: ok 284 # SMARTS matched the SMILES molecule
204: ok 285 # SMARTS matched the SMILES molecule
204: ok 286 # SMARTS matched the SMILES molecule
204: ok 287 # SMARTS matched the SMILES molecule
204: ok 288 # SMARTS matched the SMILES molecule
204: ok 289 # SMARTS matched the SMILES molecule
204: ok 290 # SMARTS matched the SMILES molecule
204: ok 291 # SMARTS matched the SMILES molecule
204: ok 292 # SMARTS matched the SMILES molecule
204: ok 293 # SMARTS matched the SMILES molecule
204: ok 294 # SMARTS matched the SMILES molecule
204: ok 295 # SMARTS matched the SMILES molecule
204: ok 296 # SMARTS matched the SMILES molecule
204: ok 297 # SMARTS matched the SMILES molecule
204: ok 298 # SMARTS matched the SMILES molecule
204: ok 299 # SMARTS matched the SMILES molecule
204: ok 300 # SMARTS matched the SMILES molecule
204: ok 301 # SMARTS matched the SMILES molecule
204: ok 302 # SMARTS matched the SMILES molecule
204: ok 303 # SMARTS matched the SMILES molecule
204: ok 304 # SMARTS matched the SMILES molecule
204: ok 305 # SMARTS matched the SMILES molecule
204: ok 306 # SMARTS matched the SMILES molecule
204: ok 307 # SMARTS matched the SMILES molecule
204: ok 308 # SMARTS matched the SMILES molecule
204: ok 309 # SMARTS matched the SMILES molecule
204: ok 310 # SMARTS matched the SMILES molecule
204: ok 311 # SMARTS matched the SMILES molecule
204: ok 312 # SMARTS matched the SMILES molecule
204: ok 313 # SMARTS matched the SMILES molecule
204: ok 314 # SMARTS matched the SMILES molecule
204: ok 315 # SMARTS matched the SMILES molecule
204: ok 316 # SMARTS matched the SMILES molecule
204: ok 317 # SMARTS matched the SMILES molecule
204: ok 318 # SMARTS matched the SMILES molecule
204: ok 319 # SMARTS matched the SMILES molecule
204: ok 320 # SMARTS matched the SMILES molecule
204: ok 321 # SMARTS matched the SMILES molecule
204: ok 322 # SMARTS matched the SMILES molecule
204: ok 323 # SMARTS matched the SMILES molecule
204: ok 324 # SMARTS matched the SMILES molecule
204: ok 325 # SMARTS matched the SMILES molecule
204: ok 326 # SMARTS matched the SMILES molecule
204: ok 327 # SMARTS matched the SMILES molecule
204: ok 328 # SMARTS matched the SMILES molecule
204: ok 329 # SMARTS matched the SMILES molecule
204: ok 330 # SMARTS matched the SMILES molecule
204: ok 331 # SMARTS matched the SMILES molecule
204: ok 332 # SMARTS matched the SMILES molecule
204: ok 333 # SMARTS matched the SMILES molecule
204: ok 334 # SMARTS matched the SMILES molecule
204: ok 335 # SMARTS matched the SMILES molecule
204: ok 336 # SMARTS matched the SMILES molecule
204: ok 337 # SMARTS matched the SMILES molecule
204: ok 338 # SMARTS matched the SMILES molecule
204: ok 339 # SMARTS matched the SMILES molecule
204: ok 340 # SMARTS matched the SMILES molecule
204: ok 341 # SMARTS matched the SMILES molecule
204: ok 342 # SMARTS matched the SMILES molecule
204: ok 343 # SMARTS matched the SMILES molecule
204: ok 344 # SMARTS matched the SMILES molecule
204: ok 345 # SMARTS matched the SMILES molecule
204: ok 346 # SMARTS matched the SMILES molecule
204: ok 347 # SMARTS matched the SMILES molecule
204: ok 348 # SMARTS matched the SMILES molecule
204: ok 349 # SMARTS matched the SMILES molecule
204: ok 350 # SMARTS matched the SMILES molecule
204: ok 351 # SMARTS matched the SMILES molecule
204: ok 352 # SMARTS matched the SMILES molecule
204: ok 353 # SMARTS matched the SMILES molecule
204: ok 354 # SMARTS matched the SMILES molecule
204: ok 355 # SMARTS matched the SMILES molecule
204: ok 356 # SMARTS matched the SMILES molecule
204: ok 357 # SMARTS matched the SMILES molecule
204: ok 358 # SMARTS matched the SMILES molecule
204: ok 359 # SMARTS matched the SMILES molecule
204: ok 360 # SMARTS matched the SMILES molecule
204: ok 361 # SMARTS matched the SMILES molecule
204: ok 362 # SMARTS matched the SMILES molecule
204: ok 363 # SMARTS matched the SMILES molecule
204: ok 364 # SMARTS matched the SMILES molecule
204: ok 365 # SMARTS matched the SMILES molecule
204: ok 366 # SMARTS matched the SMILES molecule
204: ok 367 # SMARTS matched the SMILES molecule
204: ok 368 # SMARTS matched the SMILES molecule
204: ok 369 # SMARTS matched the SMILES molecule
204: ok 370 # SMARTS matched the SMILES molecule
204: ok 371 # SMARTS matched the SMILES molecule
204: ok 372 # SMARTS matched the SMILES molecule
204: ok 373 # SMARTS matched the SMILES molecule
204: ok 374 # SMARTS matched the SMILES molecule
204: ok 375 # SMARTS matched the SMILES molecule
204: ok 376 # SMARTS matched the SMILES molecule
204: ok 377 # SMARTS matched the SMILES molecule
204: ok 378 # SMARTS matched the SMILES molecule
204: ok 379 # SMARTS matched the SMILES molecule
204: ok 380 # SMARTS matched the SMILES molecule
204: ok 381 # SMARTS matched the SMILES molecule
204: ok 382 # SMARTS matched the SMILES molecule
204: ok 383 # SMARTS matched the SMILES molecule
204: ok 384 # SMARTS matched the SMILES molecule
204: ok 385 # SMARTS matched the SMILES molecule
204: ok 386 # SMARTS matched the SMILES molecule
204: ok 387 # SMARTS matched the SMILES molecule
204: ok 388 # SMARTS matched the SMILES molecule
204: ok 389 # SMARTS matched the SMILES molecule
204: ok 390 # SMARTS matched the SMILES molecule
204: ok 391 # SMARTS matched the SMILES molecule
204: ok 392 # SMARTS matched the SMILES molecule
204: ok 393 # SMARTS matched the SMILES molecule
204: ok 394 # SMARTS matched the SMILES molecule
204: ok 395 # SMARTS matched the SMILES molecule
204: ok 396 # SMARTS matched the SMILES molecule
204: ok 397 # SMARTS matched the SMILES molecule
204: ok 398 # SMARTS matched the SMILES molecule
204: ok 399 # SMARTS matched the SMILES molecule
204: ok 400 # SMARTS matched the SMILES molecule
204: ok 401 # SMARTS matched the SMILES molecule
204: ok 402 # SMARTS matched the SMILES molecule
204: ok 403 # SMARTS matched the SMILES molecule
204: ok 404 # SMARTS matched the SMILES molecule
204: ok 405 # SMARTS matched the SMILES molecule
204: ok 406 # SMARTS matched the SMILES molecule
204: ok 407 # SMARTS matched the SMILES molecule
204: ok 408 # SMARTS matched the SMILES molecule
204: ok 409 # SMARTS matched the SMILES molecule
204: ok 410 # SMARTS matched the SMILES molecule
204: ok 411 # SMARTS matched the SMILES molecule
204: ok 412 # SMARTS matched the SMILES molecule
204: ok 413 # SMARTS matched the SMILES molecule
204: ok 414 # SMARTS matched the SMILES molecule
204: ok 415 # SMARTS matched the SMILES molecule
204: ok 416 # SMARTS matched the SMILES molecule
204: ok 417 # SMARTS matched the SMILES molecule
204: ok 418 # SMARTS matched the SMILES molecule
204: ok 419 # SMARTS matched the SMILES molecule
204: ok 420 # SMARTS matched the SMILES molecule
204: ok 421 # SMARTS matched the SMILES molecule
204: ok 422 # SMARTS matched the SMILES molecule
204: ok 423 # SMARTS matched the SMILES molecule
204: ok 424 # SMARTS matched the SMILES molecule
204: ok 425 # SMARTS matched the SMILES molecule
204: ok 426 # SMARTS matched the SMILES molecule
204: ok 427 # SMARTS matched the SMILES molecule
204: ok 428 # SMARTS matched the SMILES molecule
204: ok 429 # SMARTS matched the SMILES molecule
204: ok 430 # SMARTS matched the SMILES molecule
204: ok 431 # SMARTS matched the SMILES molecule
204: ok 432 # SMARTS matched the SMILES molecule
204: ok 433 # SMARTS matched the SMILES molecule
204: ok 434 # SMARTS matched the SMILES molecule
204: ok 435 # SMARTS matched the SMILES molecule
204: ok 436 # SMARTS matched the SMILES molecule
204: ok 437 # SMARTS matched the SMILES molecule
204: ok 438 # SMARTS matched the SMILES molecule
204: ok 439 # SMARTS matched the SMILES molecule
204: ok 440 # SMARTS matched the SMILES molecule
204: ok 441 # SMARTS matched the SMILES molecule
204: ok 442 # SMARTS matched the SMILES molecule
204: ok 443 # SMARTS matched the SMILES molecule
204: ok 444 # SMARTS matched the SMILES molecule
204: ok 445 # SMARTS matched the SMILES molecule
204: ok 446 # SMARTS matched the SMILES molecule
204: ok 447 # SMARTS matched the SMILES molecule
204: ok 448 # SMARTS matched the SMILES molecule
204: ok 449 # SMARTS matched the SMILES molecule
204: ok 450 # SMARTS matched the SMILES molecule
204: ok 451 # SMARTS matched the SMILES molecule
204: ok 452 # SMARTS matched the SMILES molecule
204: ok 453 # SMARTS matched the SMILES molecule
204: ok 454 # SMARTS matched the SMILES molecule
204: ok 455 # SMARTS matched the SMILES molecule
204: ok 456 # SMARTS matched the SMILES molecule
204: ok 457 # SMARTS matched the SMILES molecule
204: ok 458 # SMARTS matched the SMILES molecule
204: ok 459 # SMARTS matched the SMILES molecule
204: ok 460 # SMARTS matched the SMILES molecule
204: ok 461 # SMARTS matched the SMILES molecule
204: ok 462 # SMARTS matched the SMILES molecule
204: ok 463 # SMARTS matched the SMILES molecule
204: ok 464 # SMARTS matched the SMILES molecule
204: ok 465 # SMARTS matched the SMILES molecule
204: ok 466 # SMARTS matched the SMILES molecule
204: ok 467 # SMARTS matched the SMILES molecule
204: ok 468 # SMARTS matched the SMILES molecule
204: ok 469 # SMARTS matched the SMILES molecule
204: ok 470 # SMARTS matched the SMILES molecule
204: ok 471 # SMARTS matched the SMILES molecule
204: ok 472 # SMARTS matched the SMILES molecule
204: ok 473 # SMARTS matched the SMILES molecule
204: ok 474 # SMARTS matched the SMILES molecule
204: ok 475 # SMARTS matched the SMILES molecule
204: ok 476 # SMARTS matched the SMILES molecule
204: ok 477 # SMARTS matched the SMILES molecule
204: ok 478 # SMARTS matched the SMILES molecule
204: ok 479 # SMARTS matched the SMILES molecule
204: ok 480 # SMARTS matched the SMILES molecule
204: ok 481 # SMARTS matched the SMILES molecule
204: ok 482 # SMARTS matched the SMILES molecule
204: ok 483 # SMARTS matched the SMILES molecule
204: ok 484 # SMARTS matched the SMILES molecule
204: ok 485 # SMARTS matched the SMILES molecule
204: ok 486 # SMARTS matched the SMILES molecule
204: ok 487 # SMARTS matched the SMILES molecule
204: ok 488 # SMARTS matched the SMILES molecule
204: ok 489 # SMARTS matched the SMILES molecule
204: ok 490 # SMARTS matched the SMILES molecule
204: ok 491 # SMARTS matched the SMILES molecule
204: ok 492 # SMARTS matched the SMILES molecule
204: ok 493 # SMARTS matched the SMILES molecule
204: ok 494 # SMARTS matched the SMILES molecule
204: ok 495 # SMARTS matched the SMILES molecule
204: ok 496 # SMARTS matched the SMILES molecule
204: ok 497 # SMARTS matched the SMILES molecule
204: ok 498 # SMARTS matched the SMILES molecule
204: ok 499 # SMARTS matched the SMILES molecule
204: ok 500 # SMARTS matched the SMILES molecule
204: ok 501 # SMARTS matched the SMILES molecule
204: ok 502 # SMARTS matched the SMILES molecule
204: ok 503 # SMARTS matched the SMILES molecule
204: ok 504 # SMARTS matched the SMILES molecule
204: ok 505 # SMARTS matched the SMILES molecule
204: ok 506 # SMARTS matched the SMILES molecule
204: ok 507 # SMARTS matched the SMILES molecule
204: ok 508 # SMARTS matched the SMILES molecule
204: ok 509 # SMARTS matched the SMILES molecule
204: ok 510 # SMARTS matched the SMILES molecule
204: ok 511 # SMARTS matched the SMILES molecule
204: ok 512 # SMARTS matched the SMILES molecule
204: ok 513 # SMARTS matched the SMILES molecule
204: ok 514 # SMARTS matched the SMILES molecule
204: ok 515 # SMARTS matched the SMILES molecule
204: ok 516 # SMARTS matched the SMILES molecule
204: ok 517 # SMARTS matched the SMILES molecule
204: ok 518 # SMARTS matched the SMILES molecule
204: ok 519 # SMARTS matched the SMILES molecule
204: ok 520 # SMARTS matched the SMILES molecule
204: ok 521 # SMARTS matched the SMILES molecule
204: ok 522 # SMARTS matched the SMILES molecule
204: ok 523 # SMARTS matched the SMILES molecule
204: ok 524 # SMARTS matched the SMILES molecule
204: ok 525 # SMARTS matched the SMILES molecule
204: ok 526 # SMARTS matched the SMILES molecule
204: ok 527 # SMARTS matched the SMILES molecule
204: ok 528 # SMARTS matched the SMILES molecule
204: ok 529 # SMARTS matched the SMILES molecule
204: ok 530 # SMARTS matched the SMILES molecule
204: ok 531 # SMARTS matched the SMILES molecule
204: ok 532 # SMARTS matched the SMILES molecule
204: ok 533 # SMARTS matched the SMILES molecule
204: ok 534 # SMARTS matched the SMILES molecule
204: ok 535 # SMARTS matched the SMILES molecule
204: ok 536 # SMARTS matched the SMILES molecule
204: ok 537 # SMARTS matched the SMILES molecule
204: ok 538 # SMARTS matched the SMILES molecule
204: ok 539 # SMARTS matched the SMILES molecule
204: ok 540 # SMARTS matched the SMILES molecule
204: ok 541 # SMARTS matched the SMILES molecule
204: ok 542 # SMARTS matched the SMILES molecule
204: ok 543 # SMARTS matched the SMILES molecule
204: ok 544 # SMARTS matched the SMILES molecule
204: ok 545 # SMARTS matched the SMILES molecule
204: ok 546 # SMARTS matched the SMILES molecule
204: ok 547 # SMARTS matched the SMILES molecule
204: ok 548 # SMARTS matched the SMILES molecule
204: ok 549 # SMARTS matched the SMILES molecule
204: ok 550 # SMARTS matched the SMILES molecule
204: ok 551 # SMARTS matched the SMILES molecule
204: ok 552 # SMARTS matched the SMILES molecule
204: ok 553 # SMARTS matched the SMILES molecule
204: ok 554 # SMARTS matched the SMILES molecule
204: ok 555 # SMARTS matched the SMILES molecule
204: ok 556 # SMARTS matched the SMILES molecule
204: ok 557 # SMARTS matched the SMILES molecule
204: ok 558 # SMARTS matched the SMILES molecule
204: ok 559 # SMARTS matched the SMILES molecule
204: ok 560 # SMARTS matched the SMILES molecule
204: ok 561 # SMARTS matched the SMILES molecule
204: ok 562 # SMARTS matched the SMILES molecule
204: ok 563 # SMARTS matched the SMILES molecule
204: ok 564 # SMARTS matched the SMILES molecule
204: ok 565 # SMARTS matched the SMILES molecule
204: ok 566 # SMARTS matched the SMILES molecule
204: ok 567 # SMARTS matched the SMILES molecule
204: ok 568 # SMARTS matched the SMILES molecule
204: ok 569 # SMARTS matched the SMILES molecule
204: ok 570 # SMARTS matched the SMILES molecule
204: ok 571 # SMARTS matched the SMILES molecule
204: ok 572 # SMARTS matched the SMILES molecule
204: ok 573 # SMARTS matched the SMILES molecule
204: ok 574 # SMARTS matched the SMILES molecule
204: ok 575 # SMARTS matched the SMILES molecule
204: ok 576 # SMARTS matched the SMILES molecule
204: ok 577 # SMARTS matched the SMILES molecule
204: ok 578 # SMARTS matched the SMILES molecule
204: ok 579 # SMARTS matched the SMILES molecule
204: ok 580 # SMARTS matched the SMILES molecule
204: ok 581 # SMARTS matched the SMILES molecule
204: ok 582 # SMARTS matched the SMILES molecule
204: ok 583 # SMARTS matched the SMILES molecule
204: ok 584 # SMARTS matched the SMILES molecule
204: ok 585 # SMARTS matched the SMILES molecule
204: ok 586 # SMARTS matched the SMILES molecule
204: ok 587 # SMARTS matched the SMILES molecule
204: ok 588 # SMARTS matched the SMILES molecule
204: ok 589 # SMARTS matched the SMILES molecule
204: ok 590 # SMARTS matched the SMILES molecule
204: ok 591 # SMARTS matched the SMILES molecule
204: ok 592 # SMARTS matched the SMILES molecule
204: ok 593 # SMARTS matched the SMILES molecule
204: ok 594 # SMARTS matched the SMILES molecule
204: ok 595 # SMARTS matched the SMILES molecule
204: ok 596 # SMARTS matched the SMILES molecule
204: ok 597 # SMARTS matched the SMILES molecule
204: ok 598 # SMARTS matched the SMILES molecule
204: ok 599 # SMARTS matched the SMILES molecule
204: ok 600 # SMARTS matched the SMILES molecule
204: ok 601 # SMARTS matched the SMILES molecule
204: ok 602 # SMARTS matched the SMILES molecule
204: ok 603 # SMARTS matched the SMILES molecule
204: ok 604 # SMARTS matched the SMILES molecule
204: ok 605 # SMARTS matched the SMILES molecule
204: ok 606 # SMARTS matched the SMILES molecule
204: ok 607 # SMARTS matched the SMILES molecule
204: ok 608 # SMARTS matched the SMILES molecule
204: ok 609 # SMARTS matched the SMILES molecule
204: ok 610 # SMARTS matched the SMILES molecule
204: ok 611 # SMARTS matched the SMILES molecule
204: ok 612 # SMARTS matched the SMILES molecule
204: ok 613 # SMARTS matched the SMILES molecule
204: ok 614 # SMARTS matched the SMILES molecule
204: ok 615 # SMARTS matched the SMILES molecule
204: ok 616 # SMARTS matched the SMILES molecule
204: ok 617 # SMARTS matched the SMILES molecule
204: ok 618 # SMARTS matched the SMILES molecule
204: ok 619 # SMARTS matched the SMILES molecule
204: ok 620 # SMARTS matched the SMILES molecule
204: ok 621 # SMARTS matched the SMILES molecule
204: ok 622 # SMARTS matched the SMILES molecule
204: ok 623 # SMARTS matched the SMILES molecule
204: ok 624 # SMARTS matched the SMILES molecule
204: ok 625 # SMARTS matched the SMILES molecule
204: ok 626 # SMARTS matched the SMILES molecule
204: ok 627 # SMARTS matched the SMILES molecule
204: ok 628 # SMARTS matched the SMILES molecule
204: ok 629 # SMARTS matched the SMILES molecule
204: ok 630 # SMARTS matched the SMILES molecule
204: ok 631 # SMARTS matched the SMILES molecule
204: ok 632 # SMARTS matched the SMILES molecule
204: ok 633 # SMARTS matched the SMILES molecule
204: ok 634 # SMARTS matched the SMILES molecule
204: ok 635 # SMARTS matched the SMILES molecule
204: ok 636 # SMARTS matched the SMILES molecule
204: ok 637 # SMARTS matched the SMILES molecule
204: ok 638 # SMARTS matched the SMILES molecule
204: ok 639 # SMARTS matched the SMILES molecule
204: ok 640 # SMARTS matched the SMILES molecule
204: ok 641 # SMARTS matched the SMILES molecule
204: ok 642 # SMARTS matched the SMILES molecule
204: ok 643 # SMARTS matched the SMILES molecule
204: ok 644 # SMARTS matched the SMILES molecule
204: ok 645 # SMARTS matched the SMILES molecule
204: ok 646 # SMARTS matched the SMILES molecule
204: ok 647 # SMARTS matched the SMILES molecule
204: ok 648 # SMARTS matched the SMILES molecule
204: ok 649 # SMARTS matched the SMILES molecule
204: ok 650 # SMARTS matched the SMILES molecule
204: ok 651 # SMARTS matched the SMILES molecule
204: ok 652 # SMARTS matched the SMILES molecule
204: ok 653 # SMARTS matched the SMILES molecule
204: ok 654 # SMARTS matched the SMILES molecule
204: ok 655 # SMARTS matched the SMILES molecule
204: ok 656 # SMARTS matched the SMILES molecule
204: ok 657 # SMARTS matched the SMILES molecule
204: ok 658 # SMARTS matched the SMILES molecule
204: ok 659 # SMARTS matched the SMILES molecule
204: ok 660 # SMARTS matched the SMILES molecule
204: ok 661 # SMARTS matched the SMILES molecule
204: ok 662 # SMARTS matched the SMILES molecule
204: ok 663 # SMARTS matched the SMILES molecule
204: ok 664 # SMARTS matched the SMILES molecule
204: ok 665 # SMARTS matched the SMILES molecule
204: ok 666 # SMARTS matched the SMILES molecule
204: ok 667 # SMARTS matched the SMILES molecule
204: ok 668 # SMARTS matched the SMILES molecule
204: ok 669 # SMARTS matched the SMILES molecule
204: ok 670 # SMARTS matched the SMILES molecule
204: ok 671 # SMARTS matched the SMILES molecule
204: ok 672 # SMARTS matched the SMILES molecule
204: ok 673 # SMARTS matched the SMILES molecule
204: ok 674 # SMARTS matched the SMILES molecule
204: ok 675 # SMARTS matched the SMILES molecule
204: ok 676 # SMARTS matched the SMILES molecule
204: ok 677 # SMARTS matched the SMILES molecule
204: ok 678 # SMARTS matched the SMILES molecule
204: ok 679 # SMARTS matched the SMILES molecule
204: ok 680 # SMARTS matched the SMILES molecule
204: ok 681 # SMARTS matched the SMILES molecule
204: ok 682 # SMARTS matched the SMILES molecule
204: ok 683 # SMARTS matched the SMILES molecule
204: ok 684 # SMARTS matched the SMILES molecule
204: ok 685 # SMARTS matched the SMILES molecule
204: ok 686 # SMARTS matched the SMILES molecule
204: ok 687 # SMARTS matched the SMILES molecule
204: ok 688 # SMARTS matched the SMILES molecule
204: ok 689 # SMARTS matched the SMILES molecule
204: ok 690 # SMARTS matched the SMILES molecule
204: ok 691 # SMARTS matched the SMILES molecule
204: ok 692 # SMARTS matched the SMILES molecule
204: ok 693 # SMARTS matched the SMILES molecule
204: ok 694 # SMARTS matched the SMILES molecule
204: ok 695 # SMARTS matched the SMILES molecule
204: ok 696 # SMARTS matched the SMILES molecule
204: ok 697 # SMARTS matched the SMILES molecule
204: ok 698 # SMARTS matched the SMILES molecule
204: ok 699 # SMARTS matched the SMILES molecule
204: ok 700 # SMARTS matched the SMILES molecule
204: ok 701 # SMARTS matched the SMILES molecule
204: ok 702 # SMARTS matched the SMILES molecule
204: ok 703 # SMARTS matched the SMILES molecule
204: ok 704 # SMARTS matched the SMILES molecule
204: ok 705 # SMARTS matched the SMILES molecule
204: ok 706 # SMARTS matched the SMILES molecule
204: ok 707 # SMARTS matched the SMILES molecule
204: ok 708 # SMARTS matched the SMILES molecule
204: ok 709 # SMARTS matched the SMILES molecule
204: ok 710 # SMARTS matched the SMILES molecule
204: ok 711 # SMARTS matched the SMILES molecule
204: ok 712 # SMARTS matched the SMILES molecule
204: ok 713 # SMARTS matched the SMILES molecule
204: ok 714 # SMARTS matched the SMILES molecule
204: ok 715 # SMARTS matched the SMILES molecule
204: ok 716 # SMARTS matched the SMILES molecule
204: ok 717 # SMARTS matched the SMILES molecule
204: ok 718 # SMARTS matched the SMILES molecule
204: ok 719 # SMARTS matched the SMILES molecule
204: ok 720 # SMARTS matched the SMILES molecule
204: ok 721 # SMARTS matched the SMILES molecule
204: ok 722 # SMARTS matched the SMILES molecule
204: ok 723 # SMARTS matched the SMILES molecule
204: ok 724 # SMARTS matched the SMILES molecule
204: ok 725 # SMARTS matched the SMILES molecule
204: ok 726 # SMARTS matched the SMILES molecule
204: ok 727 # SMARTS matched the SMILES molecule
204: ok 728 # SMARTS matched the SMILES molecule
204: ok 729 # SMARTS matched the SMILES molecule
204: ok 730 # SMARTS matched the SMILES molecule
204: ok 731 # SMARTS matched the SMILES molecule
204: ok 732 # SMARTS matched the SMILES molecule
204: ok 733 # SMARTS matched the SMILES molecule
204: ok 734 # SMARTS matched the SMILES molecule
204: ok 735 # SMARTS matched the SMILES molecule
204: ok 736 # SMARTS matched the SMILES molecule
204: ok 737 # SMARTS matched the SMILES molecule
204: ok 738 # SMARTS matched the SMILES molecule
204: ok 739 # SMARTS matched the SMILES molecule
204: ok 740 # SMARTS matched the SMILES molecule
204: ok 741 # SMARTS matched the SMILES molecule
204: ok 742 # SMARTS matched the SMILES molecule
204: ok 743 # SMARTS matched the SMILES molecule
204: ok 744 # SMARTS matched the SMILES molecule
204: ok 745 # SMARTS matched the SMILES molecule
204: ok 746 # SMARTS matched the SMILES molecule
204: ok 747 # SMARTS matched the SMILES molecule
204: ok 748 # SMARTS matched the SMILES molecule
204: ok 749 # SMARTS matched the SMILES molecule
204: ok 750 # SMARTS matched the SMILES molecule
204: ok 751 # SMARTS matched the SMILES molecule
204: ok 752 # SMARTS matched the SMILES molecule
204: ok 753 # SMARTS matched the SMILES molecule
204: ok 754 # SMARTS matched the SMILES molecule
204: ok 755 # SMARTS matched the SMILES molecule
204: ok 756 # SMARTS matched the SMILES molecule
204: ok 757 # SMARTS matched the SMILES molecule
204: ok 758 # SMARTS matched the SMILES molecule
204: ok 759 # SMARTS matched the SMILES molecule
204: ok 760 # SMARTS matched the SMILES molecule
204: ok 761 # SMARTS matched the SMILES molecule
204: ok 762 # SMARTS matched the SMILES molecule
204: ok 763 # SMARTS matched the SMILES molecule
204: ok 764 # SMARTS matched the SMILES molecule
204: ok 765 # SMARTS matched the SMILES molecule
204: ok 766 # SMARTS matched the SMILES molecule
204: ok 767 # SMARTS matched the SMILES molecule
204: ok 768 # SMARTS matched the SMILES molecule
204: ok 769 # SMARTS matched the SMILES molecule
204: ok 770 # SMARTS matched the SMILES molecule
204: ok 771 # SMARTS matched the SMILES molecule
204: ok 772 # SMARTS matched the SMILES molecule
204: ok 773 # SMARTS matched the SMILES molecule
204: ok 774 # SMARTS matched the SMILES molecule
204: ok 775 # SMARTS matched the SMILES molecule
204: ok 776 # SMARTS matched the SMILES molecule
204: ok 777 # SMARTS matched the SMILES molecule
204: ok 778 # SMARTS matched the SMILES molecule
204: ok 779 # SMARTS matched the SMILES molecule
204: ok 780 # SMARTS matched the SMILES molecule
204: ok 781 # SMARTS matched the SMILES molecule
204: ok 782 # SMARTS matched the SMILES molecule
204: ok 783 # SMARTS matched the SMILES molecule
204: ok 784 # SMARTS matched the SMILES molecule
204: ok 785 # SMARTS matched the SMILES molecule
204: ok 786 # SMARTS matched the SMILES molecule
204: ok 787 # SMARTS matched the SMILES molecule
204: ok 788 # SMARTS matched the SMILES molecule
204: ok 789 # SMARTS matched the SMILES molecule
204: ok 790 # SMARTS matched the SMILES molecule
204: ok 791 # SMARTS matched the SMILES molecule
204: ok 792 # SMARTS matched the SMILES molecule
204: ok 793 # SMARTS matched the SMILES molecule
204: ok 794 # SMARTS matched the SMILES molecule
204: ok 795 # SMARTS matched the SMILES molecule
204: ok 796 # SMARTS matched the SMILES molecule
204: ok 797 # SMARTS matched the SMILES molecule
204: ok 798 # SMARTS matched the SMILES molecule
204: ok 799 # SMARTS matched the SMILES molecule
204: ok 800 # SMARTS matched the SMILES molecule
204: ok 801 # SMARTS matched the SMILES molecule
204: ok 802 # SMARTS matched the SMILES molecule
204: ok 803 # SMARTS matched the SMILES molecule
204: ok 804 # SMARTS matched the SMILES molecule
204: ok 805 # SMARTS matched the SMILES molecule
204: ok 806 # SMARTS matched the SMILES molecule
204: ok 807 # SMARTS matched the SMILES molecule
204: ok 808 # SMARTS matched the SMILES molecule
204: ok 809 # SMARTS matched the SMILES molecule
204: ok 810 # SMARTS matched the SMILES molecule
204: ok 811 # SMARTS matched the SMILES molecule
204: ok 812 # SMARTS matched the SMILES molecule
204: ok 813 # SMARTS matched the SMILES molecule
204: ok 814 # SMARTS matched the SMILES molecule
204: ok 815 # SMARTS matched the SMILES molecule
204: ok 816 # SMARTS matched the SMILES molecule
204: ok 817 # SMARTS matched the SMILES molecule
204: ok 818 # SMARTS matched the SMILES molecule
204: ok 819 # SMARTS matched the SMILES molecule
204: ok 820 # SMARTS matched the SMILES molecule
204: ok 821 # SMARTS matched the SMILES molecule
204: ok 822 # SMARTS matched the SMILES molecule
204: ok 823 # SMARTS matched the SMILES molecule
204: ok 824 # SMARTS matched the SMILES molecule
204: ok 825 # SMARTS matched the SMILES molecule
204: ok 826 # SMARTS matched the SMILES molecule
204: ok 827 # SMARTS matched the SMILES molecule
204: ok 828 # SMARTS matched the SMILES molecule
204: ok 829 # SMARTS matched the SMILES molecule
204: ok 830 # SMARTS matched the SMILES molecule
204: ok 831 # SMARTS matched the SMILES molecule
204: ok 832 # SMARTS matched the SMILES molecule
204: ok 833 # SMARTS matched the SMILES molecule
204: ok 834 # SMARTS matched the SMILES molecule
204: ok 835 # SMARTS matched the SMILES molecule
204: ok 836 # SMARTS matched the SMILES molecule
204: ok 837 # SMARTS matched the SMILES molecule
204: ok 838 # SMARTS matched the SMILES molecule
204: ok 839 # SMARTS matched the SMILES molecule
204: ok 840 # SMARTS matched the SMILES molecule
204: ok 841 # SMARTS matched the SMILES molecule
204: ok 842 # SMARTS matched the SMILES molecule
204: ok 843 # SMARTS matched the SMILES molecule
204: ok 844 # SMARTS matched the SMILES molecule
204: ok 845 # SMARTS matched the SMILES molecule
204: ok 846 # SMARTS matched the SMILES molecule
204: ok 847 # SMARTS matched the SMILES molecule
204: ok 848 # SMARTS matched the SMILES molecule
204: ok 849 # SMARTS matched the SMILES molecule
204: ok 850 # SMARTS matched the SMILES molecule
204: ok 851 # SMARTS matched the SMILES molecule
204: ok 852 # SMARTS matched the SMILES molecule
204: ok 853 # SMARTS matched the SMILES molecule
204: ok 854 # SMARTS matched the SMILES molecule
204: ok 855 # SMARTS matched the SMILES molecule
204: ok 856 # SMARTS matched the SMILES molecule
204: ok 857 # SMARTS matched the SMILES molecule
204: ok 858 # SMARTS matched the SMILES molecule
204: ok 859 # SMARTS matched the SMILES molecule
204: ok 860 # SMARTS matched the SMILES molecule
204: ok 861 # SMARTS matched the SMILES molecule
204: ok 862 # SMARTS matched the SMILES molecule
204: ok 863 # SMARTS matched the SMILES molecule
204: ok 864 # SMARTS matched the SMILES molecule
204: ok 865 # SMARTS matched the SMILES molecule
204: ok 866 # SMARTS matched the SMILES molecule
204: ok 867 # SMARTS matched the SMILES molecule
204: ok 868 # SMARTS matched the SMILES molecule
204: ok 869 # SMARTS matched the SMILES molecule
204: ok 870 # SMARTS matched the SMILES molecule
204: ok 871 # SMARTS matched the SMILES molecule
204: ok 872 # SMARTS matched the SMILES molecule
204: ok 873 # SMARTS matched the SMILES molecule
204: ok 874 # SMARTS matched the SMILES molecule
204: ok 875 # SMARTS matched the SMILES molecule
204: ok 876 # SMARTS matched the SMILES molecule
204: ok 877 # SMARTS matched the SMILES molecule
204: ok 878 # SMARTS matched the SMILES molecule
204: ok 879 # SMARTS matched the SMILES molecule
204: ok 880 # SMARTS matched the SMILES molecule
204: ok 881 # SMARTS matched the SMILES molecule
204: ok 882 # SMARTS matched the SMILES molecule
204: ok 883 # SMARTS matched the SMILES molecule
204: ok 884 # SMARTS matched the SMILES molecule
204: ok 885 # SMARTS matched the SMILES molecule
204: ok 886 # SMARTS matched the SMILES molecule
204: ok 887 # SMARTS matched the SMILES molecule
204: ok 888 # SMARTS matched the SMILES molecule
204: ok 889 # SMARTS matched the SMILES molecule
204: ok 890 # SMARTS matched the SMILES molecule
204: ok 891 # SMARTS matched the SMILES molecule
204: ok 892 # SMARTS matched the SMILES molecule
204: ok 893 # SMARTS matched the SMILES molecule
204: ok 894 # SMARTS matched the SMILES molecule
204: ok 895 # SMARTS matched the SMILES molecule
204: ok 896 # SMARTS matched the SMILES molecule
204: ok 897 # SMARTS matched the SMILES molecule
204: ok 898 # SMARTS matched the SMILES molecule
204: ok 899 # SMARTS matched the SMILES molecule
204: ok 900 # SMARTS matched the SMILES molecule
204: ok 901 # SMARTS matched the SMILES molecule
204: ok 902 # SMARTS matched the SMILES molecule
204: ok 903 # SMARTS matched the SMILES molecule
204: ok 904 # SMARTS matched the SMILES molecule
204: ok 905 # SMARTS matched the SMILES molecule
204: ok 906 # SMARTS matched the SMILES molecule
204: ok 907 # SMARTS matched the SMILES molecule
204: ok 908 # SMARTS matched the SMILES molecule
204: ok 909 # SMARTS matched the SMILES molecule
204: ok 910 # SMARTS matched the SMILES molecule
204: ok 911 # SMARTS matched the SMILES molecule
204: ok 912 # SMARTS matched the SMILES molecule
204: ok 913 # SMARTS matched the SMILES molecule
204: ok 914 # SMARTS matched the SMILES molecule
204: ok 915 # SMARTS matched the SMILES molecule
204: ok 916 # SMARTS matched the SMILES molecule
204: ok 917 # SMARTS matched the SMILES molecule
204: ok 918 # SMARTS matched the SMILES molecule
204: ok 919 # SMARTS matched the SMILES molecule
204: ok 920 # SMARTS matched the SMILES molecule
204: ok 921 # SMARTS matched the SMILES molecule
204: ok 922 # SMARTS matched the SMILES molecule
204: ok 923 # SMARTS matched the SMILES molecule
204: ok 924 # SMARTS matched the SMILES molecule
204: ok 925 # SMARTS matched the SMILES molecule
204: ok 926 # SMARTS matched the SMILES molecule
204: ok 927 # SMARTS matched the SMILES molecule
204: ok 928 # SMARTS matched the SMILES molecule
204: ok 929 # SMARTS matched the SMILES molecule
204: ok 930 # SMARTS matched the SMILES molecule
204: ok 931 # SMARTS matched the SMILES molecule
204: ok 932 # SMARTS matched the SMILES molecule
204: ok 933 # SMARTS matched the SMILES molecule
204: ok 934 # SMARTS matched the SMILES molecule
204: ok 935 # SMARTS matched the SMILES molecule
204: ok 936 # SMARTS matched the SMILES molecule
204: ok 937 # SMARTS matched the SMILES molecule
204: ok 938 # SMARTS matched the SMILES molecule
204: ok 939 # SMARTS matched the SMILES molecule
204: ok 940 # SMARTS matched the SMILES molecule
204: ok 941 # SMARTS matched the SMILES molecule
204: ok 942 # SMARTS matched the SMILES molecule
204: ok 943 # SMARTS matched the SMILES molecule
204: ok 944 # SMARTS matched the SMILES molecule
204: ok 945 # SMARTS matched the SMILES molecule
204: ok 946 # SMARTS matched the SMILES molecule
204: ok 947 # SMARTS matched the SMILES molecule
204: ok 948 # SMARTS matched the SMILES molecule
204: ok 949 # SMARTS matched the SMILES molecule
204: ok 950 # SMARTS matched the SMILES molecule
204: ok 951 # SMARTS matched the SMILES molecule
204: ok 952 # SMARTS matched the SMILES molecule
204: ok 953 # SMARTS matched the SMILES molecule
204: ok 954 # SMARTS matched the SMILES molecule
204: ok 955 # SMARTS matched the SMILES molecule
204: ok 956 # SMARTS matched the SMILES molecule
204: ok 957 # SMARTS matched the SMILES molecule
204: ok 958 # SMARTS matched the SMILES molecule
204: ok 959 # SMARTS matched the SMILES molecule
204: ok 960 # SMARTS matched the SMILES molecule
204: ok 961 # SMARTS matched the SMILES molecule
204: ok 962 # SMARTS matched the SMILES molecule
204: ok 963 # SMARTS matched the SMILES molecule
204: ok 964 # SMARTS matched the SMILES molecule
204: ok 965 # SMARTS matched the SMILES molecule
204: ok 966 # SMARTS matched the SMILES molecule
204: ok 967 # SMARTS matched the SMILES molecule
204: ok 968 # SMARTS matched the SMILES molecule
204: ok 969 # SMARTS matched the SMILES molecule
204: ok 970 # SMARTS matched the SMILES molecule
204: ok 971 # SMARTS matched the SMILES molecule
204: ok 972 # SMARTS matched the SMILES molecule
204: ok 973 # SMARTS matched the SMILES molecule
204: ok 974 # SMARTS matched the SMILES molecule
204: ok 975 # SMARTS matched the SMILES molecule
204: ok 976 # SMARTS matched the SMILES molecule
204: ok 977 # SMARTS matched the SMILES molecule
204: ok 978 # SMARTS matched the SMILES molecule
204: ok 979 # SMARTS matched the SMILES molecule
204: ok 980 # SMARTS matched the SMILES molecule
204: ok 981 # SMARTS matched the SMILES molecule
204: ok 982 # SMARTS matched the SMILES molecule
204: ok 983 # SMARTS matched the SMILES molecule
204: ok 984 # SMARTS matched the SMILES molecule
204: ok 985 # SMARTS matched the SMILES molecule
204: ok 986 # SMARTS matched the SMILES molecule
204: ok 987 # SMARTS matched the SMILES molecule
204: ok 988 # SMARTS matched the SMILES molecule
204: ok 989 # SMARTS matched the SMILES molecule
204: ok 990 # SMARTS matched the SMILES molecule
204: ok 991 # SMARTS matched the SMILES molecule
204: ok 992 # SMARTS matched the SMILES molecule
204: ok 993 # SMARTS matched the SMILES molecule
204: ok 994 # SMARTS matched the SMILES molecule
204: 1..994
209/223 Test #204: test_smilesmatch_1 ...............   Passed    0.51 sec
test 211
        Start 211: pytest_sym

211: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pytest_sym.cmake"
211: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
211: Test timeout computed to be: 1500
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
210: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:1: SyntaxWarning: invalid escape sequence '\P'
210:   """Test OpenBabel executables from Python
210: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:101: SyntaxWarning: invalid escape sequence '\d'
210:   pat = "(-?\d.*) molecule(?:s?) converted"
210: ......./usr/lib64/python3.13/subprocess.py:1022: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
210:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
210: /usr/lib64/python3.13/subprocess.py:1028: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
210:   self.stdout = io.open(c2pread, 'rb', bufsize)
210: /usr/lib64/python3.13/subprocess.py:1033: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
210:   self.stderr = io.open(errread, 'rb', bufsize)
210: ......
210: ----------------------------------------------------------------------
210: Ran 13 tests in 4.025s
210: 
210: OK
210: 
210/223 Test #210: pytest_babel .....................   Passed    4.15 sec
test 212
        Start 212: pytest_smartssym

212: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pytest_smartssym.cmake"
212: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
212: Test timeout computed to be: 1500
212: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsym.py:1: SyntaxWarning: invalid escape sequence '\P'
211:   """Test OpenBabel executables from Python
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsym.py:97: SyntaxWarning: invalid escape sequence '\C'
211:   "C(=C\C=C/Br)/Cl",
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsym.py:98: SyntaxWarning: invalid escape sequence '\B'
211:   "Cl/C=C/C=C\Br",
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsym.py:99: SyntaxWarning: invalid escape sequence '\C'
211:   "Br/C=C\C=C\Cl",
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsym.py:100: SyntaxWarning: invalid escape sequence '\C'
211:   "C(=C\Cl)/C=C\Br",
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsym.py:101: SyntaxWarning: invalid escape sequence '\C'
211:   "C(=C\C=C\Cl)\Br",
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsym.py:102: SyntaxWarning: invalid escape sequence '\B'
211:   "C(=C\Br)\C=C\Cl"
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsym.py:343: SyntaxWarning: invalid escape sequence '\C'
211:   test_smiles = "C=C\C=C/c1ccccc1"
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:1: SyntaxWarning: invalid escape sequence '\P'
211:   """Test OpenBabel executables from Python
211: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbabel.py:101: SyntaxWarning: invalid escape sequence '\d'
211:   pat = "(-?\d.*) molecule(?:s?) converted"
211: /usr/lib64/python3.13/subprocess.py:1022: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
211:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
211: /usr/lib64/python3.13/subprocess.py:1028: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
211:   self.stdout = io.open(c2pread, 'rb', bufsize)
211: /usr/lib64/python3.13/subprocess.py:1033: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
211:   self.stderr = io.open(errread, 'rb', bufsize)
211: ..........................
211: ----------------------------------------------------------------------
211: Ran 26 tests in 5.293s
211: 
211: OK
211: 
211/223 Test #211: pytest_sym .......................   Passed    5.38 sec
test 213
        Start 213: pytest_fastsearch

213: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pytest_fastsearch.cmake"
213: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
213: Test timeout computed to be: 1500
213: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
212: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testsmartssym.py:1: SyntaxWarning: invalid escape sequence '\P'
212:   """Test OpenBabel executables from Python
212: /usr/lib64/python3.13/subprocess.py:1022: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
212:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
212: /usr/lib64/python3.13/subprocess.py:1028: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
212:   self.stdout = io.open(c2pread, 'rb', bufsize)
212: /usr/lib64/python3.13/subprocess.py:1033: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
212:   self.stderr = io.open(errread, 'rb', bufsize)
212: ....
212: ----------------------------------------------------------------------
212: Ran 4 tests in 1.360s
212: 
212: OK
212: 
212/223 Test #212: pytest_smartssym .................   Passed    1.42 sec
test 214
        Start 214: pytest_distgeom

214: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pytest_distgeom.cmake"
214: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
214: Test timeout computed to be: 1500
214: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
213: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testfastsearch.py:1: SyntaxWarning: invalid escape sequence '\P'
213:   """Test OpenBabel executables from Python
213: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testfastsearch.py:30: SyntaxWarning: invalid escape sequence '\C'
213:   smiles = """C12(C(N(C(=O)C)c3c2cccc3)=O)Nc2c(ccc(c2N1)OCCCC)OCCCC
213: .
213: ----------------------------------------------------------------------
213: Ran 1 test in 0.102s
213: 
213: OK
213: 
213/223 Test #213: pytest_fastsearch ................   Passed    0.17 sec
test 215
        Start 215: pytest_unique

215: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pytest_unique.cmake"
215: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
215: Test timeout computed to be: 1500
215: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
215: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testunique.py:1: SyntaxWarning: invalid escape sequence '\P'
215:   """Test OpenBabel executables from Python
215: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testunique.py:26: SyntaxWarning: invalid escape sequence '\F'
215:   self.smiles = """C	methane
215: /usr/lib64/python3.13/subprocess.py:1022: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
215:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
215: /usr/lib64/python3.13/subprocess.py:1028: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
215:   self.stdout = io.open(c2pread, 'rb', bufsize)
215: /usr/lib64/python3.13/subprocess.py:1033: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
215:   self.stderr = io.open(errread, 'rb', bufsize)
215: .
215: ----------------------------------------------------------------------
215: Ran 1 test in 0.329s
215: 
215: OK
215: 
214/223 Test #215: pytest_unique ....................   Passed    0.39 sec
test 216
        Start 216: pytest_kekule

216: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pytest_kekule.cmake"
216: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
216: Test timeout computed to be: 1500
216: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
216: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testkekule.py:1: SyntaxWarning: invalid escape sequence '\P'
216:   """Test OpenBabel executables from Python
216: /usr/lib64/python3.13/subprocess.py:1022: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
216:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
216: /usr/lib64/python3.13/subprocess.py:1028: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
216:   self.stdout = io.open(c2pread, 'rb', bufsize)
216: /usr/lib64/python3.13/subprocess.py:1033: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
216:   self.stderr = io.open(errread, 'rb', bufsize)
216: ...
216: ----------------------------------------------------------------------
216: Ran 3 tests in 0.740s
216: 
216: OK
216: 
215/223 Test #216: pytest_kekule ....................   Passed    0.81 sec
test 217
        Start 217: pytest_pdbformat

217: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pytest_pdbformat.cmake"
217: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
217: Test timeout computed to be: 1500
217: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
217: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testpdbformat.py:1: SyntaxWarning: invalid escape sequence '\P'
217:   """Test OpenBabel executables from Python
217: /usr/lib64/python3.13/subprocess.py:1022: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
217:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
217: /usr/lib64/python3.13/subprocess.py:1028: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
217:   self.stdout = io.open(c2pread, 'rb', bufsize)
217: /usr/lib64/python3.13/subprocess.py:1033: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
217:   self.stderr = io.open(errread, 'rb', bufsize)
217: .
217: ----------------------------------------------------------------------
217: Ran 1 test in 0.034s
217: 
217: OK
217: 
216/223 Test #217: pytest_pdbformat .................   Passed    0.10 sec
test 218
        Start 218: pytest_RInChI

218: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pytest_RInChI.cmake"
218: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
218: Test timeout computed to be: 1500
218: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
218: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testRInChI.py:1: SyntaxWarning: invalid escape sequence '\P'
218:   """Test OpenBabel executables from Python
218: ..
218: ----------------------------------------------------------------------
218: Ran 2 tests in 1.348s
218: 
218: OK
218: 
217/223 Test #218: pytest_RInChI ....................   Passed    1.41 sec
test 219
        Start 219: pybindtest__pybel

219: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pybindtest__pybel.cmake"
219: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
219: Test timeout computed to be: 1500
219: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
219: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/test_pybel.py:1: SyntaxWarning: invalid escape sequence '\P'
219:   """Test OpenBabel Python bindings
219: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testbindings.py:1: SyntaxWarning: invalid escape sequence '\P'
219:   """Test OpenBabel Python bindings
219: .........................==============================
219: *** Open Babel Warning  in WriteMolecule
219:   No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D.
219: .....==============================
219: *** Open Babel Error  in SMARTSError
219:   SMARTS Error:
219: [#NOEL][#NOEL]
219:   ^
219: 
219: ....
219: ----------------------------------------------------------------------
219: Ran 34 tests in 0.245s
219: 
219: OK
219: 
218/223 Test #219: pybindtest__pybel ................   Passed    0.42 sec
test 220
        Start 220: pybindtest_example

220: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pybindtest_example.cmake"
220: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
220: Test timeout computed to be: 1500
220: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
220: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testexample.py:1: SyntaxWarning: invalid escape sequence '\P'
220:   """Example test that uses the OpenBabel Python bindings
220: ..
220: ----------------------------------------------------------------------
220: Ran 2 tests in 0.001s
220: 
220: OK
220: 
219/223 Test #220: pybindtest_example ...............   Passed    0.12 sec
test 221
        Start 221: pybindtest_cdjsonformat

221: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pybindtest_cdjsonformat.cmake"
221: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
221: Test timeout computed to be: 1500
221: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
221: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testcdjsonformat.py:1: SyntaxWarning: invalid escape sequence '\P'
221:   """Test ChemDoodle JSON format using the OpenBabel Python bindings
221: ..........
221: ----------------------------------------------------------------------
221: Ran 10 tests in 0.002s
221: 
221: OK
221: 
220/223 Test #221: pybindtest_cdjsonformat ..........   Passed    0.13 sec
test 222
        Start 222: pybindtest_pcjsonformat

222: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pybindtest_pcjsonformat.cmake"
222: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
222: Test timeout computed to be: 1500
222: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
222: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testpcjsonformat.py:1: SyntaxWarning: invalid escape sequence '\P'
222:   """Test PubChem JSON format using the OpenBabel Python bindings
222: .................
222: ----------------------------------------------------------------------
222: Ran 17 tests in 0.009s
222: 
222: OK
222: 
221/223 Test #222: pybindtest_pcjsonformat ..........   Passed    0.14 sec
test 223
        Start 223: pybindtest_roundtrip

223: Test command: /usr/bin/cmake "-P" "/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test/pybindtest_roundtrip.cmake"
223: Working Directory: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/test
223: Test timeout computed to be: 1500
223: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/scripts/python:/builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/x86_64-redhat-linux-gnu/lib64
214: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testdistgeom.py:1: SyntaxWarning: invalid escape sequence '\P'
214:   """Test OpenBabel executables from Python
214: /usr/lib64/python3.13/subprocess.py:1022: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
214:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
214: /usr/lib64/python3.13/subprocess.py:1028: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
214:   self.stdout = io.open(c2pread, 'rb', bufsize)
214: /usr/lib64/python3.13/subprocess.py:1033: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
214:   self.stderr = io.open(errread, 'rb', bufsize)
214: .
214: ----------------------------------------------------------------------
214: Ran 1 test in 77.227s
214: 
214: OK
214: 
222/223 Test #214: pytest_distgeom ..................   Passed   77.29 sec
223: /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/test/testroundtrip.py:1: SyntaxWarning: invalid escape sequence '\P'
223:   """Test the ability of openbabel to roundtrip various properties
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: ==============================
223: *** Open Babel Error  in TetStereoToWedgeHash
223:   Failed to set stereochemistry as unable to find an available bond
223: /usr/lib64/python3.13/multiprocessing/pool.py:268: ResourceWarning: unclosed running multiprocessing pool <multiprocessing.pool.Pool state=RUN pool_size=1>
223:   _warn(f"unclosed running multiprocessing pool {self!r}",
223: ResourceWarning: Enable tracemalloc to get the object allocation traceback
223: .
223: ----------------------------------------------------------------------
223: Ran 1 test in 96.442s
223: 
223: OK
223: 
223/223 Test #223: pybindtest_roundtrip .............   Passed   96.58 sec

The following tests passed:
	test_align_1
	test_align_2
	test_align_3
	test_automorphism_1
	test_alias_1
	test_automorphism_2
	test_automorphism_3
	test_automorphism_4
	test_automorphism_5
	test_automorphism_6
	test_automorphism_7
	test_automorphism_8
	test_automorphism_9
	test_automorphism_10
	test_builder_2
	test_builder_3
	test_builder_4
	test_builder_5
	test_builder_6
	test_canonconsistent_1
	test_canonconsistent_2
	test_canonconsistent_3
	test_canonfragment_1
	test_builder_1
	test_carspacegroup_1
	test_carspacegroup_2
	test_carspacegroup_3
	test_carspacegroup_4
	test_cifspacegroup_1
	test_cifspacegroup_2
	test_cifspacegroup_3
	test_cifspacegroup_4
	test_cifspacegroup_5
	test_cifspacegroup_6
	test_cifspacegroup_7
	test_cifspacegroup_8
	test_cifspacegroup_9
	test_cifspacegroup_10
	test_cifspacegroup_11
	test_cifspacegroup_12
	test_cifspacegroup_13
	test_cistrans_1
	test_cistrans_2
	test_cistrans_3
	test_cistrans_4
	test_cistrans_5
	test_cistrans_6
	test_cistrans_7
	test_cistrans_8
	test_cistrans_9
	test_canonstable_1
	test_conversion_1
	test_graphsym_1
	test_graphsym_2
	test_graphsym_3
	test_graphsym_4
	test_graphsym_5
	test_gzip_1
	test_implicitH_1
	test_lssr_1
	test_lssr_2
	test_lssr_3
	test_lssr_4
	test_lssr_5
	test_isomorphism_1
	test_isomorphism_2
	test_isomorphism_3
	test_isomorphism_4
	test_isomorphism_5
	test_isomorphism_6
	test_isomorphism_7
	test_isomorphism_8
	test_isomorphism_9
	test_multicml_1
	test_periodic_1
	test_periodic_2
	test_periodic_3
	test_periodic_4
	test_regressions_1
	test_regressions_221
	test_regressions_222
	test_regressions_223
	test_regressions_224
	test_regressions_225
	test_regressions_226
	test_regressions_227
	test_regressions_228
	test_regressions_240
	test_regressions_241
	test_regressions_242
	test_regressions_1794
	test_regressions_2111
	test_rotor_1
	test_rotor_2
	test_rotor_3
	test_rotor_4
	test_shuffle_1
	test_shuffle_2
	test_shuffle_3
	test_shuffle_4
	test_addh_1
	test_shuffle_5
	test_smiles_1
	test_smiles_2
	test_smiles_3
	test_spectrophore_2
	test_spectrophore_3
	test_spectrophore_4
	test_spectrophore_5
	test_squareplanar_1
	test_squareplanar_2
	test_squareplanar_3
	test_squareplanar_4
	test_squareplanar_5
	test_stereo_1
	test_stereo_2
	test_stereo_3
	test_stereo_4
	test_stereo_5
	test_spectrophore_1
	test_stereoperception_1
	test_stereo_6
	test_stereoperception_2
	test_stereoperception_3
	test_stereoperception_4
	test_tautomer_1
	test_tautomer_2
	test_tautomer_4
	test_tautomer_3
	test_tautomer_5
	test_tautomer_6
	test_tautomer_7
	test_tautomer_8
	test_tautomer_9
	test_tautomer_10
	test_tautomer_11
	test_tautomer_12
	test_tautomer_13
	test_tautomer_14
	test_tautomer_15
	test_tautomer_16
	test_tautomer_17
	test_tautomer_18
	test_tautomer_19
	test_tautomer_20
	test_tautomer_21
	test_tautomer_22
	test_tautomer_23
	test_tautomer_24
	test_tautomer_25
	test_tautomer_26
	test_tautomer_27
	test_tetrahedral_1
	test_tautomer_28
	test_tetrahedral_2
	test_tetrahedral_3
	test_tetrahedral_4
	test_tetrahedral_5
	test_tetranonplanar_1
	test_tetraplanar_1
	test_uniqueid_1
	test_uniqueid_2
	test_atom_1
	test_atom_2
	test_atom_3
	test_atom_4
	test_bond_1
	test_aromatest_1
	test_charge_mmff94_1
	test_charge_gasteiger_1
	test_datatest_1
	test_cansmi_1
	test_ffgaff_1
	test_ffghemical_1
	test_ffmmff94_2
	test_ffmmff94_1
	test_ffmmff94_4
	test_ffmmff94_3
	test_ffmmff94_6
	test_ffmmff94_5
	test_formalcharge_1
	test_ffuff_1
	test_format_1
	test_internalcoord_1
	test_invalidsmarts_1
	test_invalidsmiles_1
	test_formula_1
	test_iterators_1
	test_logp_psa_1
	test_math_1
	test_math_3
	test_math_2
	test_mol_1
	test_math_4
	test_pdbreadfile_1
	test_pdbreadfile_2
	test_pdbreadfile_3
	test_pdbreadfile_4
	test_phmodel_1
	test_residue_1
	test_ringtest_1
	test_smartsparse_1
	test_smartstest_1
	test_unitcell_1
	test_cmlreadfile_1
	inchiSamples.sdf_Test
	inchiSamplesTechMan.sdf_Test
	inchiSteffen_PubChem.smi_Test
	test_smilesmatch_1
	pytest_babel
	pytest_sym
	pytest_smartssym
	pytest_fastsearch
	pytest_unique
	pytest_kekule
	pytest_pdbformat
	pytest_RInChI
	pybindtest__pybel
	pybindtest_example
	pybindtest_cdjsonformat
	pybindtest_pcjsonformat
	pytest_distgeom
	pybindtest_roundtrip

100% tests passed, 0 tests failed out of 223

Total Test time (real) = 129.23 sec
+ RPM_EC=0
++ jobs -p
+ exit 0
Processing files: openbabel-3.1.1-33.fc43.x86_64
warning: File listed twice: /usr/lib/.build-id/41/fdda53636aff66d9bd7e706d42a27a1069bf3f
Provides: config(openbabel) = 3.1.1-33.fc43 openbabel = 3.1.1-33.fc43 openbabel(x86-64) = 3.1.1-33.fc43
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.32)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.38)(64bit) libc.so.6(GLIBC_2.4)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libopenbabel.so.7()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.15)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) rtld(GNU_HASH)
Processing files: openbabel-devel-3.1.1-33.fc43.x86_64
Provides: cmake(OpenBabel3) = 3.1.1 cmake(openbabel3) = 3.1.1 openbabel-devel = 3.1.1-33.fc43 openbabel-devel(x86-64) = 3.1.1-33.fc43 pkgconfig(openbabel-3) = 3.1.1
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: /usr/bin/pkg-config cmake-filesystem(x86-64) libopenbabel.so.7()(64bit)
Processing files: openbabel-doc-3.1.1-33.fc43.noarch
Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.K4awgu
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ cd openbabel-openbabel-3-1-1
+ DOCDIR=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ export LC_ALL=C.UTF-8
+ LC_ALL=C.UTF-8
+ export DOCDIR
+ /usr/bin/mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/FAQ.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/OBTwoMigration.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/OpenBabelGUI.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/api-footer.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/api-header.html /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/README.dioxin.pov /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/README.povray /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/dioxin.inc /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/dioxin.mol2 /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/dioxin.png /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/doc/dioxin.pov /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-doc
+ RPM_EC=0
++ jobs -p
+ exit 0
Provides: openbabel-doc = 3.1.1-33.fc43
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Processing files: openbabel-gui-3.1.1-33.fc43.x86_64
Provides: application() application(obgui.desktop) openbabel-gui = 3.1.1-33.fc43 openbabel-gui(x86-64) = 3.1.1-33.fc43
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.4)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libopenbabel.so.7()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) libwx_baseu-3.2.so.0()(64bit) libwx_baseu-3.2.so.0(WXU_3.2)(64bit) libwx_gtk3u_core-3.2.so.0()(64bit) libwx_gtk3u_core-3.2.so.0(WXU_3.2)(64bit) rtld(GNU_HASH)
Processing files: openbabel-libs-3.1.1-33.fc43.x86_64
Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.8ors98
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ cd openbabel-openbabel-3-1-1
+ DOCDIR=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ export LC_ALL=C.UTF-8
+ LC_ALL=C.UTF-8
+ export DOCDIR
+ /usr/bin/mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/THANKS /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/AUTHORS /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/authors.txt /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/README.md /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/doc/openbabel-libs
+ RPM_EC=0
++ jobs -p
+ exit 0
Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.JXS6C7
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ cd openbabel-openbabel-3-1-1
+ LICENSEDIR=/builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/licenses/openbabel-libs
+ export LC_ALL=C.UTF-8
+ LC_ALL=C.UTF-8
+ export LICENSEDIR
+ /usr/bin/mkdir -p /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/licenses/openbabel-libs
+ cp -pr /builddir/build/BUILD/openbabel-3.1.1-build/openbabel-openbabel-3-1-1/COPYING /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT/usr/share/licenses/openbabel-libs
+ RPM_EC=0
++ jobs -p
+ exit 0
Provides: libopenbabel.so.7()(64bit) openbabel-libs = 3.1.1-33.fc43 openbabel-libs(x86-64) = 3.1.1-33.fc43
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.32)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.38)(64bit) libc.so.6(GLIBC_2.4)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libcairo.so.2()(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libinchi.so.1()(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2.5)(64bit) libm.so.6(GLIBC_2.29)(64bit) libm.so.6(GLIBC_2.38)(64bit) libopenbabel.so.7()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.15)(64bit) libstdc++.so.6(CXXABI_1.3.7)(64bit) libstdc++.so.6(CXXABI_1.3.8)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.15)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.26)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.5)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) libxml2.so.2()(64bit) libxml2.so.2(LIBXML2_2.4.30)(64bit) libxml2.so.2(LIBXML2_2.5.0)(64bit) libxml2.so.2(LIBXML2_2.6.0)(64bit) libxml2.so.2(LIBXML2_2.6.5)(64bit) libz.so.1()(64bit) rtld(GNU_HASH)
Processing files: perl-openbabel-3.1.1-33.fc43.x86_64
Provides: perl(Chemistry::OpenBabel) perl(Chemistry::OpenBabel::AliasData) perl(Chemistry::OpenBabel::CharPtrLess) perl(Chemistry::OpenBabel::Dummy) perl(Chemistry::OpenBabel::LineSearchType) perl(Chemistry::OpenBabel::OBAngle) perl(Chemistry::OpenBabel::OBAngleData) perl(Chemistry::OpenBabel::OBAtom) perl(Chemistry::OpenBabel::OBAtomAtomIter) perl(Chemistry::OpenBabel::OBAtomBondIter) perl(Chemistry::OpenBabel::OBAtomHOF) perl(Chemistry::OpenBabel::OBAtomicHeatOfFormationTable) perl(Chemistry::OpenBabel::OBBase) perl(Chemistry::OpenBabel::OBBitVec) perl(Chemistry::OpenBabel::OBBond) perl(Chemistry::OpenBabel::OBBuilder) perl(Chemistry::OpenBabel::OBCommentData) perl(Chemistry::OpenBabel::OBConformerData) perl(Chemistry::OpenBabel::OBConversion) perl(Chemistry::OpenBabel::OBDOSData) perl(Chemistry::OpenBabel::OBDescriptor) perl(Chemistry::OpenBabel::OBElectronicTransitionData) perl(Chemistry::OpenBabel::OBError) perl(Chemistry::OpenBabel::OBExternalBond) perl(Chemistry::OpenBabel::OBExternalBondData) perl(Chemistry::OpenBabel::OBFFCalculation2) perl(Chemistry::OpenBabel::OBFFCalculation3) perl(Chemistry::OpenBabel::OBFFCalculation4) perl(Chemistry::OpenBabel::OBFFConstraint) perl(Chemistry::OpenBabel::OBFFConstraints) perl(Chemistry::OpenBabel::OBFFParameter) perl(Chemistry::OpenBabel::OBFingerprintIter) perl(Chemistry::OpenBabel::OBForceField) perl(Chemistry::OpenBabel::OBFormat) perl(Chemistry::OpenBabel::OBFreeGrid) perl(Chemistry::OpenBabel::OBFreeGridPoint) perl(Chemistry::OpenBabel::OBGenericData) perl(Chemistry::OpenBabel::OBGlobalDataBase) perl(Chemistry::OpenBabel::OBGridData) perl(Chemistry::OpenBabel::OBInternalCoord) perl(Chemistry::OpenBabel::OBMatrixData) perl(Chemistry::OpenBabel::OBMessageHandler) perl(Chemistry::OpenBabel::OBMol) perl(Chemistry::OpenBabel::OBMolAngleIter) perl(Chemistry::OpenBabel::OBMolAtomBFSIter) perl(Chemistry::OpenBabel::OBMolAtomDFSIter) perl(Chemistry::OpenBabel::OBMolAtomIter) perl(Chemistry::OpenBabel::OBMolBondBFSIter) perl(Chemistry::OpenBabel::OBMolBondIter) perl(Chemistry::OpenBabel::OBMolPairIter) perl(Chemistry::OpenBabel::OBMolRingIter) perl(Chemistry::OpenBabel::OBMolTorsionIter) perl(Chemistry::OpenBabel::OBOp) perl(Chemistry::OpenBabel::OBOrbital) perl(Chemistry::OpenBabel::OBOrbitalData) perl(Chemistry::OpenBabel::OBPairData) perl(Chemistry::OpenBabel::OBPcharge) perl(Chemistry::OpenBabel::OBPlugin) perl(Chemistry::OpenBabel::OBRTree) perl(Chemistry::OpenBabel::OBResidue) perl(Chemistry::OpenBabel::OBResidueAtomIter) perl(Chemistry::OpenBabel::OBResidueData) perl(Chemistry::OpenBabel::OBResidueIter) perl(Chemistry::OpenBabel::OBRing) perl(Chemistry::OpenBabel::OBRingData) perl(Chemistry::OpenBabel::OBRingSearch) perl(Chemistry::OpenBabel::OBRotamerList) perl(Chemistry::OpenBabel::OBRotationData) perl(Chemistry::OpenBabel::OBRotor) perl(Chemistry::OpenBabel::OBRotorKeys) perl(Chemistry::OpenBabel::OBRotorList) perl(Chemistry::OpenBabel::OBRotorRule) perl(Chemistry::OpenBabel::OBRotorRules) perl(Chemistry::OpenBabel::OBSSMatch) perl(Chemistry::OpenBabel::OBSerialNums) perl(Chemistry::OpenBabel::OBSetData) perl(Chemistry::OpenBabel::OBSmartsMatcher) perl(Chemistry::OpenBabel::OBSmartsPattern) perl(Chemistry::OpenBabel::OBSqrtTbl) perl(Chemistry::OpenBabel::OBStopwatch) perl(Chemistry::OpenBabel::OBSymmetryData) perl(Chemistry::OpenBabel::OBTorsion) perl(Chemistry::OpenBabel::OBTorsionData) perl(Chemistry::OpenBabel::OBTypeTable) perl(Chemistry::OpenBabel::OBUnitCell) perl(Chemistry::OpenBabel::OBVectorData) perl(Chemistry::OpenBabel::OBVibrationData) perl(Chemistry::OpenBabel::OBVirtualBond) perl(Chemistry::OpenBabel::VectorDouble) perl(Chemistry::OpenBabel::VectorInt) perl(Chemistry::OpenBabel::VectorOBBond) perl(Chemistry::OpenBabel::VectorOBMol) perl(Chemistry::OpenBabel::VectorOBResidue) perl(Chemistry::OpenBabel::VectorOBRing) perl(Chemistry::OpenBabel::VectorString) perl(Chemistry::OpenBabel::VectorUnsignedInt) perl(Chemistry::OpenBabel::VectorVInt) perl(Chemistry::OpenBabel::VectorVector3) perl(Chemistry::OpenBabel::VectorpOBGenericData) perl(Chemistry::OpenBabel::VectorpOBRing) perl(Chemistry::OpenBabel::_OBAtomAtomIter) perl(Chemistry::OpenBabel::_OBAtomBondIter) perl(Chemistry::OpenBabel::_OBMolAngleIter) perl(Chemistry::OpenBabel::_OBMolAtomBFSIter) perl(Chemistry::OpenBabel::_OBMolAtomDFSIter) perl(Chemistry::OpenBabel::_OBMolAtomIter) perl(Chemistry::OpenBabel::_OBMolBondIter) perl(Chemistry::OpenBabel::_OBMolPairIter) perl(Chemistry::OpenBabel::_OBMolRingIter) perl(Chemistry::OpenBabel::_OBMolTorsionIter) perl(Chemistry::OpenBabel::_OBResidueAtomIter) perl(Chemistry::OpenBabel::matrix3x3) perl(Chemistry::OpenBabel::obLogBuf) perl(Chemistry::OpenBabel::rotor_digit) perl(Chemistry::OpenBabel::stringbuf) perl(Chemistry::OpenBabel::vector3) perl(Chemistry::OpenBabelc) perl-openbabel = 3.1.1-33.fc43 perl-openbabel(x86-64) = 3.1.1-33.fc43
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.38)(64bit) libc.so.6(GLIBC_2.4)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2.5)(64bit) libopenbabel.so.7()(64bit) libperl.so.5.40()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.15)(64bit) libstdc++.so.6(CXXABI_1.3.8)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) perl(:MODULE_COMPAT_5.40.1) perl(DynaLoader) perl(Exporter) perl(base) perl(overload) perl(vars) perl-libs rtld(GNU_HASH)
Processing files: python3-openbabel-3.1.1-33.fc43.x86_64
Provides: python-openbabel = 3.1.1-33.fc43 python3-openbabel = 3.1.1-33.fc43 python3-openbabel(x86-64) = 3.1.1-33.fc43 python3.13-openbabel = 3.1.1-33.fc43
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PartialHardlinkSets) <= 4.0.4-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.32)(64bit) libc.so.6(GLIBC_2.4)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2.5)(64bit) libopenbabel.so.7()(64bit) libpython3.13.so.1.0()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.15)(64bit) libstdc++.so.6(CXXABI_1.3.8)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) python(abi) = 3.13 rtld(GNU_HASH)
Obsoletes: python-openbabel < 3.1.1-33.fc43 python2-openbabel < 0:3.1.1-33.fc43
Processing files: ruby-openbabel-3.1.1-33.fc43.x86_64
Provides: ruby-openbabel = 3.1.1-33.fc43 ruby-openbabel(x86-64) = 3.1.1-33.fc43
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Requires: libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.32)(64bit) libc.so.6(GLIBC_2.4)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2.5)(64bit) libopenbabel.so.7()(64bit) libruby.so.3.4()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.15)(64bit) libstdc++.so.6(CXXABI_1.3.8)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) rtld(GNU_HASH)
Processing files: openbabel-debugsource-3.1.1-33.fc43.x86_64
Provides: openbabel-debugsource = 3.1.1-33.fc43 openbabel-debugsource(x86-64) = 3.1.1-33.fc43
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Processing files: openbabel-debuginfo-3.1.1-33.fc43.x86_64
Provides: debuginfo(build-id) = 14e9007467c96ccedbee6cb0512176669e9c9783 debuginfo(build-id) = 2225e2c499c5003c237e336c433af1cce479f4ec debuginfo(build-id) = 2e6843dcc25be8aa62abdcbce668c9d9d9f823e8 debuginfo(build-id) = 3c451583aeb74e6a09cec87f872f2938e9d4ec96 debuginfo(build-id) = 41fdda53636aff66d9bd7e706d42a27a1069bf3f debuginfo(build-id) = 4234eae201bb4e5d34b992a24cc93cac288f5d7a debuginfo(build-id) = 43746e9ae4118a0453eb66175ead4bf58c9160cd debuginfo(build-id) = 4c92d8a7d08a6e892e762efccc07a10bbed0f87c debuginfo(build-id) = 51d0d1b97b1181b4aece4006759b41aa5b1b91e9 debuginfo(build-id) = 776ab1dc4e06d67a7ffc460a3ebac9c150836c64 debuginfo(build-id) = 88849bae92ac6061945d05e403320930cee89b93 debuginfo(build-id) = 8ec9ee7c5daec8068d18b26953533bc22b7db0c7 debuginfo(build-id) = 9d0bfe0d822dde95033fb61875919536b2a60582 debuginfo(build-id) = aacf4b84c34b3acbefe3fe9eb086466c3d80dde4 debuginfo(build-id) = b06facbcc3ef2425dd3bfd5b007dc724e1bfa6e1 debuginfo(build-id) = c67db492df920c63beb3ed6f4490e4e390888fe4 debuginfo(build-id) = c71b81c5362ec5f33bbd5ca50f702309b1768708 debuginfo(build-id) = cf0eacbee830c150e7f998f897fbbd6597cbedf1 debuginfo(build-id) = d0110eacf9d89c6e23195e44195671f111aad242 debuginfo(build-id) = e080979806f5ae71392f4489379e8b03764888f0 debuginfo(build-id) = e2a38f93956d9ef9a2985235f85a0f99faf2fb47 openbabel-debuginfo = 3.1.1-33.fc43 openbabel-debuginfo(x86-64) = 3.1.1-33.fc43
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(x86-64) = 3.1.1-33.fc43
Processing files: openbabel-gui-debuginfo-3.1.1-33.fc43.x86_64
Provides: debuginfo(build-id) = 41fdda53636aff66d9bd7e706d42a27a1069bf3f openbabel-gui-debuginfo = 3.1.1-33.fc43 openbabel-gui-debuginfo(x86-64) = 3.1.1-33.fc43
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(x86-64) = 3.1.1-33.fc43
Processing files: openbabel-libs-debuginfo-3.1.1-33.fc43.x86_64
Provides: debuginfo(build-id) = 0022177bf0a917f831ba5d79807d6f79af05719a debuginfo(build-id) = 02b9ac8492f5bdb47cef6d1af6685ee115df5cc4 debuginfo(build-id) = 037c102f09ed558f88882007447b8fa9882a47a7 debuginfo(build-id) = 05eaa11ef27b2d0f75652ddc4f9cba2e87f2f744 debuginfo(build-id) = 0852673ca8b07efd01d9da9b48500a3d3d063172 debuginfo(build-id) = 0860f126781a9ec8483affdc4710172984e5754a debuginfo(build-id) = 0875061621b7511bc368c6c794fbc86b4b1a8482 debuginfo(build-id) = 088b0efb64009fcbfb8331da0049b622693b9032 debuginfo(build-id) = 0b20fee4a66adead03933ad75778714b90aa2248 debuginfo(build-id) = 0b7975e1addb6b1356589d296c0c98ca3936018b debuginfo(build-id) = 0bf39c9a1c3998a301b5427118ba3fa469fb7fd2 debuginfo(build-id) = 0cd325a8d24e3ad4458b5c3ff4d2e4dea6e4a7da debuginfo(build-id) = 0e7006bfb9d052f1b3d52bb81a64ca4fb714c548 debuginfo(build-id) = 1077e76df3ec37df04f4c40065da4eff7f49c332 debuginfo(build-id) = 11055b4d9bcfb025dd9ad391fee27e80e0b379ed debuginfo(build-id) = 14cd5f77d9c6b9a9091747687c25ca3548dd7a9d debuginfo(build-id) = 1501381d83c732c7924a68f75b87330db23bfe9a debuginfo(build-id) = 175ba5cf2760635ff9f236ed58479292f115c3f7 debuginfo(build-id) = 18046198a53711254bc515c969bff663c000dbd8 debuginfo(build-id) = 19cc158e8c469725b6d6b0b753c5acf30a62fc88 debuginfo(build-id) = 1b66db3d7a5c3135bbd377243073df756ef4c0f5 debuginfo(build-id) = 1bb64f92392ac168e6b1ceb8411b1cf75b6987f3 debuginfo(build-id) = 1d1ac4c21cdefcb604168d149d1ebf537c69974d debuginfo(build-id) = 1f8d130a2964f0061b6d3fe4cb1842d47fd0054f debuginfo(build-id) = 21320f3fb1410682720ebd0f25b130faba3412e3 debuginfo(build-id) = 21aa6fc0bb9665a43e92308f4eda76c4f1c74f83 debuginfo(build-id) = 21c62e55bc83635c1d0212d0e41db294003681f2 debuginfo(build-id) = 23422725188a517c32796840abe81113e9d2f391 debuginfo(build-id) = 27f1a034468942744268f2264ff1d87ca7467037 debuginfo(build-id) = 2b866ddf45b4adf2d6e38a6a134027413543613a debuginfo(build-id) = 2c55780d1828d4c4032044b7c358594472722a77 debuginfo(build-id) = 30d4558d57168bd45be2ac11305963a5f9bb83e5 debuginfo(build-id) = 33de235210bbfa886d36b69205953b5494bda167 debuginfo(build-id) = 36af65437e266a8352ea29783b60d6e8b68b402c debuginfo(build-id) = 3794de7592ed720d12889497a73944c05bafff5b debuginfo(build-id) = 3a76ff511ea34aac05cab4cb7de0d099e4c1f655 debuginfo(build-id) = 3af53dbe7277500c953d4eb42f74136cb1f30cd1 debuginfo(build-id) = 3b82128defda8b942f45d7d818fcf201a9d5e004 debuginfo(build-id) = 3b8f53a183bd19a063a2257fea9e40a800a1923f debuginfo(build-id) = 3d1334ee035b7440ddcc4f520822fb8c3b898971 debuginfo(build-id) = 3d33932bab2d8dff18b4bb3d71d9e4e793991cee debuginfo(build-id) = 42358dfc4111cf58c52d961bab47d7e1297d0cac debuginfo(build-id) = 429b93b7865851d9e8bd9928f0f95f47a1e37620 debuginfo(build-id) = 45998e118ff5eafc9ce939153c673df658335be3 debuginfo(build-id) = 4accb3e90ad04fed0f112444b5753425f2c0ac1a debuginfo(build-id) = 4b86ac2a56d2098897bae9f395401cdb1fd1256c debuginfo(build-id) = 4d3d96f76533acae1e5df5b74b35d68ccf7daa88 debuginfo(build-id) = 52c31959aeff856cc415a53a17b39a407b4cf6d5 debuginfo(build-id) = 5583f25d3cc249d44566a6612e9aaad081e71bf4 debuginfo(build-id) = 559bf46b9cbb704de11177a481f799936f5e09f3 debuginfo(build-id) = 56255c891c73d1b7a2e89291d87c40cff7f6ad3c debuginfo(build-id) = 573440d7cd19e6f4c7730fb2435ef79468acb295 debuginfo(build-id) = 5c69a3b7ff5675f7400252722693754ee56a8dfa debuginfo(build-id) = 5f604361cb559d2485dc1c88dbb142710c3aa302 debuginfo(build-id) = 601482628d7b82eff3955c47a49844c2112ef40a debuginfo(build-id) = 62753d88d56cb1e3594bdf9df8734a1cb9344cbf debuginfo(build-id) = 64368ee4006d8c3d00d5e6f134bd6ece571277b2 debuginfo(build-id) = 6cf75162e78c5cf67082a6fc0bec61e709e6dcb7 debuginfo(build-id) = 7019c37a6900aa03bcb11233482924f4d7464519 debuginfo(build-id) = 7106f5cd0d73a69fbdae223c3ca6951f9fa323df debuginfo(build-id) = 7154c33f49e2bf7de3572dda3712cc416c108350 debuginfo(build-id) = 71ad4b978c396c6e315ac94d07cfb6f8b3c45bc7 debuginfo(build-id) = 727f014551c577aebbeeb4daac691d473cc70feb debuginfo(build-id) = 76d85a926cc7697008263715e3b3e1a1fb1e225f debuginfo(build-id) = 7a8e0298ec4804cfd0fd43f7f3f225ef83c21fad debuginfo(build-id) = 7bb8cb6b6004c994ecaac72a7a73335b813a4354 debuginfo(build-id) = 7bebe372b9c6597804d0160f0b7c45d7151ff211 debuginfo(build-id) = 7bf5e1147b48cdc83eac8863524c9b55191cfbde debuginfo(build-id) = 7d003e7ee5ed22cf5db0c22dc771d529940c37ce debuginfo(build-id) = 7e2663132868fa7a279749fde1afb7dc474dccfb debuginfo(build-id) = 80a3968535a3fc3b251bf8756da5200bf4402dd6 debuginfo(build-id) = 80baf0667d69c0ce442d1cd16a76abf7f8986413 debuginfo(build-id) = 820066cdbd9cd63d065d646d738f67df25a4589c debuginfo(build-id) = 8534c7a3f7f16777be7cbfcb5d53ab600be83280 debuginfo(build-id) = 873f44b848db7e167bbf9cad6233f0aa9e6842a5 debuginfo(build-id) = 882900aea11d22c5149b69c91105818d2a4b2cde debuginfo(build-id) = 8acb6991ba4bb26dfe7bc493af98cbf38c0dd5fa debuginfo(build-id) = 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debuginfo(build-id) = b20dcb4b916db1c819fa5c3b0d5ddd30828de002 debuginfo(build-id) = b2f89a12dd01336cc43c2342d7fcb08aaac75ec9 debuginfo(build-id) = bb6a43562bb4f95a1cd532a0d52af879a051fb70 debuginfo(build-id) = bf6dc1f596d3d17041c53d4ea6757effd87b6de3 debuginfo(build-id) = bf737afd1e84983a9dedd5d9983b3c7b53c1dc7d debuginfo(build-id) = c0280d9cbb7ca221d51c0ed39abf411a1f2c42bf debuginfo(build-id) = c0deff3d2ff3b5d55eda7df9be3fcf87afd5336c debuginfo(build-id) = c177a9dc2d030aae2288f575826e61ce7a59da27 debuginfo(build-id) = c2c14166cd16caf733d1cfaee2ddbd578a4e858e debuginfo(build-id) = c44fc846e3d6eb02666d240c58d77b0ea9587347 debuginfo(build-id) = c5ac980072b35e1081a348de38caca5fb8498d95 debuginfo(build-id) = c754d8bc6388f4eaf36c1b931c489c3c72ac42ea debuginfo(build-id) = c7f1f5f23eb1a143849e46ddfbf5c8938db3af27 debuginfo(build-id) = c8d67908ade1ac85f8108ff56340aa9531dd037c debuginfo(build-id) = c8dbec205c811b3695515b812ab48f30637385b4 debuginfo(build-id) = cbfb8f9c07ab9bde32f351d03e5068100cdc0b9e debuginfo(build-id) = cc581997bd8a1c0d6ab09aaa64ba3818b882597b debuginfo(build-id) = cd5b8804d3e916079c152cf6f7658deb71738dbf debuginfo(build-id) = ce19e5ecc5404a232558f9ab178eb22caa7900ce debuginfo(build-id) = d99af99854fd1bb0db313dc3f08911c99c2e7dce debuginfo(build-id) = da41b351213b843f5000864a9c603f0fe728e953 debuginfo(build-id) = daa5069a412d4768b5a360c4921319f99207ffe3 debuginfo(build-id) = ddd3bab6ebc7776f10cf6c084dd64c5ed4303637 debuginfo(build-id) = ded119eafba13d9aa6b7d4c92728de322469e0e0 debuginfo(build-id) = df7bb604564607ae89a8fb619bf87ceb3d332f7e debuginfo(build-id) = e69c3c105276eaa24450bdda8e9e43ef0d021050 debuginfo(build-id) = e6e9854373add30cffb028001e5df866274d9814 debuginfo(build-id) = ebb8b98015cd0c048cf44cd31789d8f21c94423e debuginfo(build-id) = ebe841026f80778ffac682344caafa6190983681 debuginfo(build-id) = ec198bdc3272f061a5f1387fdf1d44f34d9da5ce debuginfo(build-id) = f5face004c83259e6fd176ef6e2674b66197283e debuginfo(build-id) = f666533843e46ea99d8ed0ba3a9e6c8ddcb4a405 debuginfo(build-id) = fdc2e5134264938b6c05a89a7e78313aab84d3cb debuginfo(build-id) = fe21e713eb6e69600886a3bbe87de06eb23da3f6 libopenbabel.so.7.0.0-3.1.1-33.fc43.x86_64.debug()(64bit) openbabel-libs-debuginfo = 3.1.1-33.fc43 openbabel-libs-debuginfo(x86-64) = 3.1.1-33.fc43
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(x86-64) = 3.1.1-33.fc43
Processing files: perl-openbabel-debuginfo-3.1.1-33.fc43.x86_64
Provides: debuginfo(build-id) = bf16e6a47a4ebfc39bb035f6375b31dc2faa8f98 perl-openbabel-debuginfo = 3.1.1-33.fc43 perl-openbabel-debuginfo(x86-64) = 3.1.1-33.fc43
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(x86-64) = 3.1.1-33.fc43
Processing files: python3-openbabel-debuginfo-3.1.1-33.fc43.x86_64
Provides: debuginfo(build-id) = d400eb073670d37b03a6a4bc6ac5c0db24609bad python-openbabel-debuginfo = 3.1.1-33.fc43 python3-openbabel-debuginfo = 3.1.1-33.fc43 python3-openbabel-debuginfo(x86-64) = 3.1.1-33.fc43 python3.13-openbabel-debuginfo = 3.1.1-33.fc43
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(x86-64) = 3.1.1-33.fc43
Processing files: ruby-openbabel-debuginfo-3.1.1-33.fc43.x86_64
Provides: debuginfo(build-id) = f8f457d7add73e03567cd73ea00a4b523d6cca3c ruby-openbabel-debuginfo = 3.1.1-33.fc43 ruby-openbabel-debuginfo(x86-64) = 3.1.1-33.fc43
Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1
Recommends: openbabel-debugsource(x86-64) = 3.1.1-33.fc43
Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILD/openbabel-3.1.1-build/BUILDROOT
Wrote: /builddir/build/RPMS/openbabel-debugsource-3.1.1-33.fc43.x86_64.rpm
Wrote: /builddir/build/RPMS/ruby-openbabel-debuginfo-3.1.1-33.fc43.x86_64.rpm
Wrote: /builddir/build/RPMS/python3-openbabel-debuginfo-3.1.1-33.fc43.x86_64.rpm
Wrote: /builddir/build/RPMS/perl-openbabel-debuginfo-3.1.1-33.fc43.x86_64.rpm
Wrote: /builddir/build/RPMS/openbabel-debuginfo-3.1.1-33.fc43.x86_64.rpm
Wrote: /builddir/build/RPMS/openbabel-libs-3.1.1-33.fc43.x86_64.rpm
Wrote: /builddir/build/RPMS/perl-openbabel-3.1.1-33.fc43.x86_64.rpm
Wrote: /builddir/build/RPMS/python3-openbabel-3.1.1-33.fc43.x86_64.rpm
Wrote: /builddir/build/RPMS/ruby-openbabel-3.1.1-33.fc43.x86_64.rpm
Wrote: /builddir/build/RPMS/openbabel-gui-debuginfo-3.1.1-33.fc43.x86_64.rpm
Wrote: /builddir/build/RPMS/openbabel-devel-3.1.1-33.fc43.x86_64.rpm
Wrote: /builddir/build/RPMS/openbabel-3.1.1-33.fc43.x86_64.rpm
Wrote: /builddir/build/RPMS/openbabel-gui-3.1.1-33.fc43.x86_64.rpm
Wrote: /builddir/build/RPMS/openbabel-doc-3.1.1-33.fc43.noarch.rpm
Wrote: /builddir/build/RPMS/openbabel-libs-debuginfo-3.1.1-33.fc43.x86_64.rpm
Executing(rmbuild): /bin/sh -e /var/tmp/rpm-tmp.ebXIeJ
+ umask 022
+ cd /builddir/build/BUILD/openbabel-3.1.1-build
+ test -d /builddir/build/BUILD/openbabel-3.1.1-build
+ /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w /builddir/build/BUILD/openbabel-3.1.1-build
+ rm -rf /builddir/build/BUILD/openbabel-3.1.1-build
+ RPM_EC=0
++ jobs -p
+ exit 0

RPM build warnings:
    File listed twice: /usr/lib/.build-id/41/fdda53636aff66d9bd7e706d42a27a1069bf3f
Finish: rpmbuild openbabel-3.1.1-33.fc43.src.rpm
Finish: build phase for openbabel-3.1.1-33.fc43.src.rpm
INFO: chroot_scan: 1 files copied to /var/lib/copr-rpmbuild/results/chroot_scan
INFO: /var/lib/mock/fedora-41-x86_64-1743157259.647785/root/var/log/dnf5.log
INFO: chroot_scan: creating tarball /var/lib/copr-rpmbuild/results/chroot_scan.tar.gz
/bin/tar: Removing leading `/' from member names
INFO: Done(/var/lib/copr-rpmbuild/results/openbabel-3.1.1-33.fc43.src.rpm) Config(child) 16 minutes 5 seconds
INFO: Results and/or logs in: /var/lib/copr-rpmbuild/results
INFO: Cleaning up build root ('cleanup_on_success=True')
Start: clean chroot
INFO: unmounting tmpfs.
Finish: clean chroot
Finish: run
Running RPMResults tool
Package info:
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RPMResults finished